Program PWSCF v.5.1.1 starts on 18Jun2016 at 13:24: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 25 9 357 357 74 Max 26 26 10 361 361 76 Sum 1247 1247 439 17291 17291 3599 bravais-lattice index = 14 lattice parameter (alat) = 6.8005 a.u. unit-cell volume = 123.2994 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.3000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.800550 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.777728 celldm(5)= -0.777728 celldm(6)= 0.555456 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.555456 0.831546 0.000000 ) a(3) = ( -0.777728 -0.415773 0.471457 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.667980 1.060541 ) b(2) = ( 0.000000 1.202579 1.060541 ) b(3) = ( 0.000000 0.000000 2.121082 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Li 3.00 6.94100 Li( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 873 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0005510 k( 2) = ( 0.0000000 0.0000000 0.1414055), wk = 0.0011019 k( 3) = ( 0.0000000 0.0000000 0.2828110), wk = 0.0011019 k( 4) = ( 0.0000000 0.0000000 0.4242165), wk = 0.0011019 k( 5) = ( 0.0000000 0.0000000 0.5656220), wk = 0.0011019 k( 6) = ( 0.0000000 0.0000000 0.7070275), wk = 0.0011019 k( 7) = ( 0.0000000 0.0000000 0.8484329), wk = 0.0011019 k( 8) = ( 0.0000000 0.0000000 0.9898384), wk = 0.0011019 k( 9) = ( 0.0000000 0.1093254 0.0964128), wk = 0.0011019 k( 10) = ( 0.0000000 0.1093254 0.2378183), wk = 0.0011019 k( 11) = ( 0.0000000 0.1093254 0.3792238), wk = 0.0011019 k( 12) = ( 0.0000000 0.1093254 0.5206293), wk = 0.0011019 k( 13) = ( 0.0000000 0.1093254 0.6620348), wk = 0.0011019 k( 14) = ( 0.0000000 0.1093254 0.8034403), wk = 0.0011019 k( 15) = ( 0.0000000 0.1093254 0.9448458), wk = 0.0011019 k( 16) = ( 0.0000000 0.1093254 1.0862513), wk = 0.0011019 k( 17) = ( 0.0000000 0.1093254 -0.8934256), wk = 0.0011019 k( 18) = ( 0.0000000 0.1093254 -0.7520201), wk = 0.0011019 k( 19) = ( 0.0000000 0.1093254 -0.6106146), wk = 0.0011019 k( 20) = ( 0.0000000 0.1093254 -0.4692091), wk = 0.0011019 k( 21) = ( 0.0000000 0.1093254 -0.3278036), wk = 0.0011019 k( 22) = ( 0.0000000 0.1093254 -0.1863981), wk = 0.0011019 k( 23) = ( 0.0000000 0.1093254 -0.0449927), wk = 0.0011019 k( 24) = ( 0.0000000 0.2186508 0.1928257), wk = 0.0011019 k( 25) = ( 0.0000000 0.2186508 0.3342312), wk = 0.0011019 k( 26) = ( 0.0000000 0.2186508 0.4756366), wk = 0.0011019 k( 27) = ( 0.0000000 0.2186508 0.6170421), wk = 0.0011019 k( 28) = ( 0.0000000 0.2186508 0.7584476), wk = 0.0011019 k( 29) = ( 0.0000000 0.2186508 0.8998531), wk = 0.0011019 k( 30) = ( 0.0000000 0.2186508 1.0412586), wk = 0.0011019 k( 31) = ( 0.0000000 0.2186508 1.1826641), wk = 0.0011019 k( 32) = ( 0.0000000 0.2186508 -0.7970128), wk = 0.0011019 k( 33) = ( 0.0000000 0.2186508 -0.6556073), wk = 0.0011019 k( 34) = ( 0.0000000 0.2186508 -0.5142018), wk = 0.0011019 k( 35) = ( 0.0000000 0.2186508 -0.3727963), wk = 0.0011019 k( 36) = ( 0.0000000 0.2186508 -0.2313908), wk = 0.0011019 k( 37) = ( 0.0000000 0.2186508 -0.0899853), wk = 0.0011019 k( 38) = ( 0.0000000 0.2186508 0.0514202), wk = 0.0011019 k( 39) = ( 0.0000000 0.3279762 0.2892385), wk = 0.0011019 k( 40) = ( 0.0000000 0.3279762 0.4306440), wk = 0.0011019 k( 41) = ( 0.0000000 0.3279762 0.5720495), wk = 0.0011019 k( 42) = ( 0.0000000 0.3279762 0.7134550), wk = 0.0011019 k( 43) = ( 0.0000000 0.3279762 0.8548605), wk = 0.0011019 k( 44) = ( 0.0000000 0.3279762 0.9962660), wk = 0.0011019 k( 45) = ( 0.0000000 0.3279762 1.1376714), wk = 0.0011019 k( 46) = ( 0.0000000 0.3279762 1.2790769), wk = 0.0011019 k( 47) = ( 0.0000000 0.3279762 -0.7005999), wk = 0.0011019 k( 48) = ( 0.0000000 0.3279762 -0.5591944), wk = 0.0011019 k( 49) = ( 0.0000000 0.3279762 -0.4177889), wk = 0.0011019 k( 50) = ( 0.0000000 0.3279762 -0.2763835), wk = 0.0011019 k( 51) = ( 0.0000000 0.3279762 -0.1349780), wk = 0.0011019 k( 52) = ( 0.0000000 0.3279762 0.0064275), wk = 0.0011019 k( 53) = ( 0.0000000 0.3279762 0.1478330), wk = 0.0011019 k( 54) = ( 0.0000000 0.4373015 0.3856513), wk = 0.0011019 k( 55) = ( 0.0000000 0.4373015 0.5270568), wk = 0.0011019 k( 56) = ( 0.0000000 0.4373015 0.6684623), wk = 0.0011019 k( 57) = ( 0.0000000 0.4373015 0.8098678), wk = 0.0011019 k( 58) = ( 0.0000000 0.4373015 0.9512733), wk = 0.0011019 k( 59) = ( 0.0000000 0.4373015 1.0926788), wk = 0.0011019 k( 60) = ( 0.0000000 0.4373015 1.2340843), wk = 0.0011019 k( 61) = ( 0.0000000 0.4373015 1.3754898), wk = 0.0011019 k( 62) = ( 0.0000000 0.4373015 -0.6041871), wk = 0.0011019 k( 63) = ( 0.0000000 0.4373015 -0.4627816), wk = 0.0011019 k( 64) = ( 0.0000000 0.4373015 -0.3213761), wk = 0.0011019 k( 65) = ( 0.0000000 0.4373015 -0.1799706), wk = 0.0011019 k( 66) = ( 0.0000000 0.4373015 -0.0385651), wk = 0.0011019 k( 67) = ( 0.0000000 0.4373015 0.1028404), wk = 0.0011019 k( 68) = ( 0.0000000 0.4373015 0.2442458), wk = 0.0011019 k( 69) = ( 0.0000000 0.5466269 0.4820642), wk = 0.0011019 k( 70) = ( 0.0000000 0.5466269 0.6234697), wk = 0.0011019 k( 71) = ( 0.0000000 0.5466269 0.7648752), wk = 0.0011019 k( 72) = ( 0.0000000 0.5466269 0.9062806), wk = 0.0011019 k( 73) = ( 0.0000000 0.5466269 1.0476861), wk = 0.0011019 k( 74) = ( 0.0000000 0.5466269 1.1890916), wk = 0.0011019 k( 75) = ( 0.0000000 0.5466269 1.3304971), wk = 0.0011019 k( 76) = ( 0.0000000 0.5466269 1.4719026), wk = 0.0011019 k( 77) = ( 0.0000000 0.5466269 -0.5077743), wk = 0.0011019 k( 78) = ( 0.0000000 0.5466269 -0.3663688), wk = 0.0011019 k( 79) = ( 0.0000000 0.5466269 -0.2249633), wk = 0.0011019 k( 80) = ( 0.0000000 0.5466269 -0.0835578), wk = 0.0011019 k( 81) = ( 0.0000000 0.5466269 0.0578477), wk = 0.0011019 k( 82) = ( 0.0000000 0.5466269 0.1992532), wk = 0.0011019 k( 83) = ( 0.0000000 0.5466269 0.3406587), wk = 0.0011019 k( 84) = ( 0.0909091 -0.0607254 0.0964128), wk = 0.0011019 k( 85) = ( 0.0909091 -0.0607254 0.2378183), wk = 0.0011019 k( 86) = ( 0.0909091 -0.0607254 0.3792238), wk = 0.0011019 k( 87) = ( 0.0909091 -0.0607254 0.5206293), wk = 0.0011019 k( 88) = ( 0.0909091 -0.0607254 0.6620348), wk = 0.0011019 k( 89) = ( 0.0909091 -0.0607254 0.8034403), wk = 0.0011019 k( 90) = ( 0.0909091 -0.0607254 0.9448458), wk = 0.0011019 k( 91) = ( 0.0909091 -0.0607254 1.0862513), wk = 0.0011019 k( 92) = ( 0.0909091 -0.0607254 -0.8934256), wk = 0.0011019 k( 93) = ( 0.0909091 -0.0607254 -0.7520201), wk = 0.0011019 k( 94) = ( 0.0909091 -0.0607254 -0.6106146), wk = 0.0011019 k( 95) = ( 0.0909091 -0.0607254 -0.4692091), wk = 0.0011019 k( 96) = ( 0.0909091 -0.0607254 -0.3278036), wk = 0.0011019 k( 97) = ( 0.0909091 -0.0607254 -0.1863981), wk = 0.0011019 k( 98) = ( 0.0909091 -0.0607254 -0.0449927), wk = 0.0011019 k( 99) = ( 0.0909091 0.0486000 0.1928257), wk = 0.0011019 k( 100) = ( 0.0909091 0.0486000 0.3342312), wk = 0.0011019 k( 101) = ( 0.0909091 0.0486000 0.4756366), wk = 0.0011019 k( 102) = ( 0.0909091 0.0486000 0.6170421), wk = 0.0011019 k( 103) = ( 0.0909091 0.0486000 0.7584476), wk = 0.0011019 k( 104) = ( 0.0909091 0.0486000 0.8998531), wk = 0.0011019 k( 105) = ( 0.0909091 0.0486000 1.0412586), wk = 0.0011019 k( 106) = ( 0.0909091 0.0486000 1.1826641), wk = 0.0011019 k( 107) = ( 0.0909091 0.0486000 -0.7970128), wk = 0.0011019 k( 108) = ( 0.0909091 0.0486000 -0.6556073), wk = 0.0011019 k( 109) = ( 0.0909091 0.0486000 -0.5142018), wk = 0.0011019 k( 110) = ( 0.0909091 0.0486000 -0.3727963), wk = 0.0011019 k( 111) = ( 0.0909091 0.0486000 -0.2313908), wk = 0.0011019 k( 112) = ( 0.0909091 0.0486000 -0.0899853), wk = 0.0011019 k( 113) = ( 0.0909091 0.0486000 0.0514202), wk = 0.0011019 k( 114) = ( 0.0909091 0.1579253 0.2892385), wk = 0.0011019 k( 115) = ( 0.0909091 0.1579253 0.4306440), wk = 0.0011019 k( 116) = ( 0.0909091 0.1579253 0.5720495), wk = 0.0011019 k( 117) = ( 0.0909091 0.1579253 0.7134550), wk = 0.0011019 k( 118) = ( 0.0909091 0.1579253 0.8548605), wk = 0.0011019 k( 119) = ( 0.0909091 0.1579253 0.9962660), wk = 0.0011019 k( 120) = ( 0.0909091 0.1579253 1.1376714), wk = 0.0011019 k( 121) = ( 0.0909091 0.1579253 1.2790769), wk = 0.0011019 k( 122) = ( 0.0909091 0.1579253 -0.7005999), wk = 0.0011019 k( 123) = ( 0.0909091 0.1579253 -0.5591944), wk = 0.0011019 k( 124) = ( 0.0909091 0.1579253 -0.4177889), wk = 0.0011019 k( 125) = ( 0.0909091 0.1579253 -0.2763835), wk = 0.0011019 k( 126) = ( 0.0909091 0.1579253 -0.1349780), wk = 0.0011019 k( 127) = ( 0.0909091 0.1579253 0.0064275), wk = 0.0011019 k( 128) = ( 0.0909091 0.1579253 0.1478330), wk = 0.0011019 k( 129) = ( 0.0909091 0.2672507 0.3856513), wk = 0.0011019 k( 130) = ( 0.0909091 0.2672507 0.5270568), wk = 0.0011019 k( 131) = ( 0.0909091 0.2672507 0.6684623), wk = 0.0011019 k( 132) = ( 0.0909091 0.2672507 0.8098678), wk = 0.0011019 k( 133) = ( 0.0909091 0.2672507 0.9512733), wk = 0.0011019 k( 134) = ( 0.0909091 0.2672507 1.0926788), wk = 0.0011019 k( 135) = ( 0.0909091 0.2672507 1.2340843), wk = 0.0011019 k( 136) = ( 0.0909091 0.2672507 1.3754898), wk = 0.0011019 k( 137) = ( 0.0909091 0.2672507 -0.6041871), wk = 0.0011019 k( 138) = ( 0.0909091 0.2672507 -0.4627816), wk = 0.0011019 k( 139) = ( 0.0909091 0.2672507 -0.3213761), wk = 0.0011019 k( 140) = ( 0.0909091 0.2672507 -0.1799706), wk = 0.0011019 k( 141) = ( 0.0909091 0.2672507 -0.0385651), wk = 0.0011019 k( 142) = ( 0.0909091 0.2672507 0.1028404), wk = 0.0011019 k( 143) = ( 0.0909091 0.2672507 0.2442458), wk = 0.0011019 k( 144) = ( 0.0909091 0.3765761 0.4820642), wk = 0.0011019 k( 145) = ( 0.0909091 0.3765761 0.6234697), wk = 0.0011019 k( 146) = ( 0.0909091 0.3765761 0.7648752), wk = 0.0011019 k( 147) = ( 0.0909091 0.3765761 0.9062806), wk = 0.0011019 k( 148) = ( 0.0909091 0.3765761 1.0476861), wk = 0.0011019 k( 149) = ( 0.0909091 0.3765761 1.1890916), wk = 0.0011019 k( 150) = ( 0.0909091 0.3765761 1.3304971), wk = 0.0011019 k( 151) = ( 0.0909091 0.3765761 1.4719026), wk = 0.0011019 k( 152) = ( 0.0909091 0.3765761 -0.5077743), wk = 0.0011019 k( 153) = ( 0.0909091 0.3765761 -0.3663688), wk = 0.0011019 k( 154) = ( 0.0909091 0.3765761 -0.2249633), wk = 0.0011019 k( 155) = ( 0.0909091 0.3765761 -0.0835578), wk = 0.0011019 k( 156) = ( 0.0909091 0.3765761 0.0578477), wk = 0.0011019 k( 157) = ( 0.0909091 0.3765761 0.1992532), wk = 0.0011019 k( 158) = ( 0.0909091 0.3765761 0.3406587), wk = 0.0011019 k( 159) = ( 0.0909091 0.4859015 0.5784770), wk = 0.0011019 k( 160) = ( 0.0909091 0.4859015 0.7198825), wk = 0.0011019 k( 161) = ( 0.0909091 0.4859015 0.8612880), wk = 0.0011019 k( 162) = ( 0.0909091 0.4859015 1.0026935), wk = 0.0011019 k( 163) = ( 0.0909091 0.4859015 1.1440990), wk = 0.0011019 k( 164) = ( 0.0909091 0.4859015 1.2855045), wk = 0.0011019 k( 165) = ( 0.0909091 0.4859015 1.4269099), wk = 0.0011019 k( 166) = ( 0.0909091 0.4859015 1.5683154), wk = 0.0011019 k( 167) = ( 0.0909091 0.4859015 -0.4113614), wk = 0.0011019 k( 168) = ( 0.0909091 0.4859015 -0.2699559), wk = 0.0011019 k( 169) = ( 0.0909091 0.4859015 -0.1285504), wk = 0.0011019 k( 170) = ( 0.0909091 0.4859015 0.0128550), wk = 0.0011019 k( 171) = ( 0.0909091 0.4859015 0.1542605), wk = 0.0011019 k( 172) = ( 0.0909091 0.4859015 0.2956660), wk = 0.0011019 k( 173) = ( 0.0909091 0.4859015 0.4370715), wk = 0.0011019 k( 174) = ( 0.0909091 -0.6073523 -0.3856513), wk = 0.0011019 k( 175) = ( 0.0909091 -0.6073523 -0.2442458), wk = 0.0011019 k( 176) = ( 0.0909091 -0.6073523 -0.1028404), wk = 0.0011019 k( 177) = ( 0.0909091 -0.6073523 0.0385651), wk = 0.0011019 k( 178) = ( 0.0909091 -0.6073523 0.1799706), wk = 0.0011019 k( 179) = ( 0.0909091 -0.6073523 0.3213761), wk = 0.0011019 k( 180) = ( 0.0909091 -0.6073523 0.4627816), wk = 0.0011019 k( 181) = ( 0.0909091 -0.6073523 0.6041871), wk = 0.0011019 k( 182) = ( 0.0909091 -0.6073523 -1.3754898), wk = 0.0011019 k( 183) = ( 0.0909091 -0.6073523 -1.2340843), wk = 0.0011019 k( 184) = ( 0.0909091 -0.6073523 -1.0926788), wk = 0.0011019 k( 185) = ( 0.0909091 -0.6073523 -0.9512733), wk = 0.0011019 k( 186) = ( 0.0909091 -0.6073523 -0.8098678), wk = 0.0011019 k( 187) = ( 0.0909091 -0.6073523 -0.6684623), wk = 0.0011019 k( 188) = ( 0.0909091 -0.6073523 -0.5270568), wk = 0.0011019 k( 189) = ( 0.0909091 -0.4980270 -0.2892385), wk = 0.0011019 k( 190) = ( 0.0909091 -0.4980270 -0.1478330), wk = 0.0011019 k( 191) = ( 0.0909091 -0.4980270 -0.0064275), wk = 0.0011019 k( 192) = ( 0.0909091 -0.4980270 0.1349780), wk = 0.0011019 k( 193) = ( 0.0909091 -0.4980270 0.2763835), wk = 0.0011019 k( 194) = ( 0.0909091 -0.4980270 0.4177889), wk = 0.0011019 k( 195) = ( 0.0909091 -0.4980270 0.5591944), wk = 0.0011019 k( 196) = ( 0.0909091 -0.4980270 0.7005999), wk = 0.0011019 k( 197) = ( 0.0909091 -0.4980270 -1.2790769), wk = 0.0011019 k( 198) = ( 0.0909091 -0.4980270 -1.1376714), wk = 0.0011019 k( 199) = ( 0.0909091 -0.4980270 -0.9962660), wk = 0.0011019 k( 200) = ( 0.0909091 -0.4980270 -0.8548605), wk = 0.0011019 k( 201) = ( 0.0909091 -0.4980270 -0.7134550), wk = 0.0011019 k( 202) = ( 0.0909091 -0.4980270 -0.5720495), wk = 0.0011019 k( 203) = ( 0.0909091 -0.4980270 -0.4306440), wk = 0.0011019 k( 204) = ( 0.0909091 -0.3887016 -0.1928257), wk = 0.0011019 k( 205) = ( 0.0909091 -0.3887016 -0.0514202), wk = 0.0011019 k( 206) = ( 0.0909091 -0.3887016 0.0899853), wk = 0.0011019 k( 207) = ( 0.0909091 -0.3887016 0.2313908), wk = 0.0011019 k( 208) = ( 0.0909091 -0.3887016 0.3727963), wk = 0.0011019 k( 209) = ( 0.0909091 -0.3887016 0.5142018), wk = 0.0011019 k( 210) = ( 0.0909091 -0.3887016 0.6556073), wk = 0.0011019 k( 211) = ( 0.0909091 -0.3887016 0.7970128), wk = 0.0011019 k( 212) = ( 0.0909091 -0.3887016 -1.1826641), wk = 0.0011019 k( 213) = ( 0.0909091 -0.3887016 -1.0412586), wk = 0.0011019 k( 214) = ( 0.0909091 -0.3887016 -0.8998531), wk = 0.0011019 k( 215) = ( 0.0909091 -0.3887016 -0.7584476), wk = 0.0011019 k( 216) = ( 0.0909091 -0.3887016 -0.6170421), wk = 0.0011019 k( 217) = ( 0.0909091 -0.3887016 -0.4756366), wk = 0.0011019 k( 218) = ( 0.0909091 -0.3887016 -0.3342312), wk = 0.0011019 k( 219) = ( 0.0909091 -0.2793762 -0.0964128), wk = 0.0011019 k( 220) = ( 0.0909091 -0.2793762 0.0449927), wk = 0.0011019 k( 221) = ( 0.0909091 -0.2793762 0.1863981), wk = 0.0011019 k( 222) = ( 0.0909091 -0.2793762 0.3278036), wk = 0.0011019 k( 223) = ( 0.0909091 -0.2793762 0.4692091), wk = 0.0011019 k( 224) = ( 0.0909091 -0.2793762 0.6106146), wk = 0.0011019 k( 225) = ( 0.0909091 -0.2793762 0.7520201), wk = 0.0011019 k( 226) = ( 0.0909091 -0.2793762 0.8934256), wk = 0.0011019 k( 227) = ( 0.0909091 -0.2793762 -1.0862513), wk = 0.0011019 k( 228) = ( 0.0909091 -0.2793762 -0.9448458), wk = 0.0011019 k( 229) = ( 0.0909091 -0.2793762 -0.8034403), wk = 0.0011019 k( 230) = ( 0.0909091 -0.2793762 -0.6620348), wk = 0.0011019 k( 231) = ( 0.0909091 -0.2793762 -0.5206293), wk = 0.0011019 k( 232) = ( 0.0909091 -0.2793762 -0.3792238), wk = 0.0011019 k( 233) = ( 0.0909091 -0.2793762 -0.2378183), wk = 0.0011019 k( 234) = ( 0.0909091 -0.1700508 -0.0000000), wk = 0.0011019 k( 235) = ( 0.0909091 -0.1700508 0.1414055), wk = 0.0022039 k( 236) = ( 0.0909091 -0.1700508 0.2828110), wk = 0.0022039 k( 237) = ( 0.0909091 -0.1700508 0.4242165), wk = 0.0022039 k( 238) = ( 0.0909091 -0.1700508 0.5656220), wk = 0.0022039 k( 239) = ( 0.0909091 -0.1700508 0.7070275), wk = 0.0022039 k( 240) = ( 0.0909091 -0.1700508 0.8484329), wk = 0.0022039 k( 241) = ( 0.0909091 -0.1700508 0.9898384), wk = 0.0022039 k( 242) = ( 0.1818182 -0.1214508 0.1928257), wk = 0.0011019 k( 243) = ( 0.1818182 -0.1214508 0.3342312), wk = 0.0011019 k( 244) = ( 0.1818182 -0.1214508 0.4756366), wk = 0.0011019 k( 245) = ( 0.1818182 -0.1214508 0.6170421), wk = 0.0011019 k( 246) = ( 0.1818182 -0.1214508 0.7584476), wk = 0.0011019 k( 247) = ( 0.1818182 -0.1214508 0.8998531), wk = 0.0011019 k( 248) = ( 0.1818182 -0.1214508 1.0412586), wk = 0.0011019 k( 249) = ( 0.1818182 -0.1214508 1.1826641), wk = 0.0011019 k( 250) = ( 0.1818182 -0.1214508 -0.7970128), wk = 0.0011019 k( 251) = ( 0.1818182 -0.1214508 -0.6556073), wk = 0.0011019 k( 252) = ( 0.1818182 -0.1214508 -0.5142018), wk = 0.0011019 k( 253) = ( 0.1818182 -0.1214508 -0.3727963), wk = 0.0011019 k( 254) = ( 0.1818182 -0.1214508 -0.2313908), wk = 0.0011019 k( 255) = ( 0.1818182 -0.1214508 -0.0899853), wk = 0.0011019 k( 256) = ( 0.1818182 -0.1214508 0.0514202), wk = 0.0011019 k( 257) = ( 0.1818182 -0.0121255 0.2892385), wk = 0.0011019 k( 258) = ( 0.1818182 -0.0121255 0.4306440), wk = 0.0011019 k( 259) = ( 0.1818182 -0.0121255 0.5720495), wk = 0.0011019 k( 260) = ( 0.1818182 -0.0121255 0.7134550), wk = 0.0011019 k( 261) = ( 0.1818182 -0.0121255 0.8548605), wk = 0.0011019 k( 262) = ( 0.1818182 -0.0121255 0.9962660), wk = 0.0011019 k( 263) = ( 0.1818182 -0.0121255 1.1376714), wk = 0.0011019 k( 264) = ( 0.1818182 -0.0121255 1.2790769), wk = 0.0011019 k( 265) = ( 0.1818182 -0.0121255 -0.7005999), wk = 0.0011019 k( 266) = ( 0.1818182 -0.0121255 -0.5591944), wk = 0.0011019 k( 267) = ( 0.1818182 -0.0121255 -0.4177889), wk = 0.0011019 k( 268) = ( 0.1818182 -0.0121255 -0.2763835), wk = 0.0011019 k( 269) = ( 0.1818182 -0.0121255 -0.1349780), wk = 0.0011019 k( 270) = ( 0.1818182 -0.0121255 0.0064275), wk = 0.0011019 k( 271) = ( 0.1818182 -0.0121255 0.1478330), wk = 0.0011019 k( 272) = ( 0.1818182 0.0971999 0.3856513), wk = 0.0011019 k( 273) = ( 0.1818182 0.0971999 0.5270568), wk = 0.0011019 k( 274) = ( 0.1818182 0.0971999 0.6684623), wk = 0.0011019 k( 275) = ( 0.1818182 0.0971999 0.8098678), wk = 0.0011019 k( 276) = ( 0.1818182 0.0971999 0.9512733), wk = 0.0011019 k( 277) = ( 0.1818182 0.0971999 1.0926788), wk = 0.0011019 k( 278) = ( 0.1818182 0.0971999 1.2340843), wk = 0.0011019 k( 279) = ( 0.1818182 0.0971999 1.3754898), wk = 0.0011019 k( 280) = ( 0.1818182 0.0971999 -0.6041871), wk = 0.0011019 k( 281) = ( 0.1818182 0.0971999 -0.4627816), wk = 0.0011019 k( 282) = ( 0.1818182 0.0971999 -0.3213761), wk = 0.0011019 k( 283) = ( 0.1818182 0.0971999 -0.1799706), wk = 0.0011019 k( 284) = ( 0.1818182 0.0971999 -0.0385651), wk = 0.0011019 k( 285) = ( 0.1818182 0.0971999 0.1028404), wk = 0.0011019 k( 286) = ( 0.1818182 0.0971999 0.2442458), wk = 0.0011019 k( 287) = ( 0.1818182 0.2065253 0.4820642), wk = 0.0011019 k( 288) = ( 0.1818182 0.2065253 0.6234697), wk = 0.0011019 k( 289) = ( 0.1818182 0.2065253 0.7648752), wk = 0.0011019 k( 290) = ( 0.1818182 0.2065253 0.9062806), wk = 0.0011019 k( 291) = ( 0.1818182 0.2065253 1.0476861), wk = 0.0011019 k( 292) = ( 0.1818182 0.2065253 1.1890916), wk = 0.0011019 k( 293) = ( 0.1818182 0.2065253 1.3304971), wk = 0.0011019 k( 294) = ( 0.1818182 0.2065253 1.4719026), wk = 0.0011019 k( 295) = ( 0.1818182 0.2065253 -0.5077743), wk = 0.0011019 k( 296) = ( 0.1818182 0.2065253 -0.3663688), wk = 0.0011019 k( 297) = ( 0.1818182 0.2065253 -0.2249633), wk = 0.0011019 k( 298) = ( 0.1818182 0.2065253 -0.0835578), wk = 0.0011019 k( 299) = ( 0.1818182 0.2065253 0.0578477), wk = 0.0011019 k( 300) = ( 0.1818182 0.2065253 0.1992532), wk = 0.0011019 k( 301) = ( 0.1818182 0.2065253 0.3406587), wk = 0.0011019 k( 302) = ( 0.1818182 0.3158507 0.5784770), wk = 0.0011019 k( 303) = ( 0.1818182 0.3158507 0.7198825), wk = 0.0011019 k( 304) = ( 0.1818182 0.3158507 0.8612880), wk = 0.0011019 k( 305) = ( 0.1818182 0.3158507 1.0026935), wk = 0.0011019 k( 306) = ( 0.1818182 0.3158507 1.1440990), wk = 0.0011019 k( 307) = ( 0.1818182 0.3158507 1.2855045), wk = 0.0011019 k( 308) = ( 0.1818182 0.3158507 1.4269099), wk = 0.0011019 k( 309) = ( 0.1818182 0.3158507 1.5683154), wk = 0.0011019 k( 310) = ( 0.1818182 0.3158507 -0.4113614), wk = 0.0011019 k( 311) = ( 0.1818182 0.3158507 -0.2699559), wk = 0.0011019 k( 312) = ( 0.1818182 0.3158507 -0.1285504), wk = 0.0011019 k( 313) = ( 0.1818182 0.3158507 0.0128550), wk = 0.0011019 k( 314) = ( 0.1818182 0.3158507 0.1542605), wk = 0.0011019 k( 315) = ( 0.1818182 0.3158507 0.2956660), wk = 0.0011019 k( 316) = ( 0.1818182 0.3158507 0.4370715), wk = 0.0011019 k( 317) = ( 0.1818182 0.4251761 0.6748898), wk = 0.0011019 k( 318) = ( 0.1818182 0.4251761 0.8162953), wk = 0.0011019 k( 319) = ( 0.1818182 0.4251761 0.9577008), wk = 0.0011019 k( 320) = ( 0.1818182 0.4251761 1.0991063), wk = 0.0011019 k( 321) = ( 0.1818182 0.4251761 1.2405118), wk = 0.0011019 k( 322) = ( 0.1818182 0.4251761 1.3819173), wk = 0.0011019 k( 323) = ( 0.1818182 0.4251761 1.5233228), wk = 0.0011019 k( 324) = ( 0.1818182 0.4251761 1.6647283), wk = 0.0011019 k( 325) = ( 0.1818182 0.4251761 -0.3149486), wk = 0.0011019 k( 326) = ( 0.1818182 0.4251761 -0.1735431), wk = 0.0011019 k( 327) = ( 0.1818182 0.4251761 -0.0321376), wk = 0.0011019 k( 328) = ( 0.1818182 0.4251761 0.1092679), wk = 0.0011019 k( 329) = ( 0.1818182 0.4251761 0.2506734), wk = 0.0011019 k( 330) = ( 0.1818182 0.4251761 0.3920789), wk = 0.0011019 k( 331) = ( 0.1818182 0.4251761 0.5334844), wk = 0.0011019 k( 332) = ( 0.1818182 -0.6680778 -0.2892385), wk = 0.0011019 k( 333) = ( 0.1818182 -0.6680778 -0.1478330), wk = 0.0011019 k( 334) = ( 0.1818182 -0.6680778 -0.0064275), wk = 0.0011019 k( 335) = ( 0.1818182 -0.6680778 0.1349780), wk = 0.0011019 k( 336) = ( 0.1818182 -0.6680778 0.2763835), wk = 0.0011019 k( 337) = ( 0.1818182 -0.6680778 0.4177889), wk = 0.0011019 k( 338) = ( 0.1818182 -0.6680778 0.5591944), wk = 0.0011019 k( 339) = ( 0.1818182 -0.6680778 0.7005999), wk = 0.0011019 k( 340) = ( 0.1818182 -0.6680778 -1.2790769), wk = 0.0011019 k( 341) = ( 0.1818182 -0.6680778 -1.1376714), wk = 0.0011019 k( 342) = ( 0.1818182 -0.6680778 -0.9962660), wk = 0.0011019 k( 343) = ( 0.1818182 -0.6680778 -0.8548605), wk = 0.0011019 k( 344) = ( 0.1818182 -0.6680778 -0.7134550), wk = 0.0011019 k( 345) = ( 0.1818182 -0.6680778 -0.5720495), wk = 0.0011019 k( 346) = ( 0.1818182 -0.6680778 -0.4306440), wk = 0.0011019 k( 347) = ( 0.1818182 -0.5587524 -0.1928257), wk = 0.0011019 k( 348) = ( 0.1818182 -0.5587524 -0.0514202), wk = 0.0011019 k( 349) = ( 0.1818182 -0.5587524 0.0899853), wk = 0.0011019 k( 350) = ( 0.1818182 -0.5587524 0.2313908), wk = 0.0011019 k( 351) = ( 0.1818182 -0.5587524 0.3727963), wk = 0.0011019 k( 352) = ( 0.1818182 -0.5587524 0.5142018), wk = 0.0011019 k( 353) = ( 0.1818182 -0.5587524 0.6556073), wk = 0.0011019 k( 354) = ( 0.1818182 -0.5587524 0.7970128), wk = 0.0011019 k( 355) = ( 0.1818182 -0.5587524 -1.1826641), wk = 0.0011019 k( 356) = ( 0.1818182 -0.5587524 -1.0412586), wk = 0.0011019 k( 357) = ( 0.1818182 -0.5587524 -0.8998531), wk = 0.0011019 k( 358) = ( 0.1818182 -0.5587524 -0.7584476), wk = 0.0011019 k( 359) = ( 0.1818182 -0.5587524 -0.6170421), wk = 0.0011019 k( 360) = ( 0.1818182 -0.5587524 -0.4756366), wk = 0.0011019 k( 361) = ( 0.1818182 -0.5587524 -0.3342312), wk = 0.0011019 k( 362) = ( 0.1818182 -0.4494270 -0.0964128), wk = 0.0011019 k( 363) = ( 0.1818182 -0.4494270 0.0449927), wk = 0.0011019 k( 364) = ( 0.1818182 -0.4494270 0.1863981), wk = 0.0011019 k( 365) = ( 0.1818182 -0.4494270 0.3278036), wk = 0.0011019 k( 366) = ( 0.1818182 -0.4494270 0.4692091), wk = 0.0011019 k( 367) = ( 0.1818182 -0.4494270 0.6106146), wk = 0.0011019 k( 368) = ( 0.1818182 -0.4494270 0.7520201), wk = 0.0011019 k( 369) = ( 0.1818182 -0.4494270 0.8934256), wk = 0.0011019 k( 370) = ( 0.1818182 -0.4494270 -1.0862513), wk = 0.0011019 k( 371) = ( 0.1818182 -0.4494270 -0.9448458), wk = 0.0011019 k( 372) = ( 0.1818182 -0.4494270 -0.8034403), wk = 0.0011019 k( 373) = ( 0.1818182 -0.4494270 -0.6620348), wk = 0.0011019 k( 374) = ( 0.1818182 -0.4494270 -0.5206293), wk = 0.0011019 k( 375) = ( 0.1818182 -0.4494270 -0.3792238), wk = 0.0011019 k( 376) = ( 0.1818182 -0.4494270 -0.2378183), wk = 0.0011019 k( 377) = ( 0.1818182 -0.3401016 0.0000000), wk = 0.0011019 k( 378) = ( 0.1818182 -0.3401016 0.1414055), wk = 0.0022039 k( 379) = ( 0.1818182 -0.3401016 0.2828110), wk = 0.0022039 k( 380) = ( 0.1818182 -0.3401016 0.4242165), wk = 0.0022039 k( 381) = ( 0.1818182 -0.3401016 0.5656220), wk = 0.0022039 k( 382) = ( 0.1818182 -0.3401016 0.7070275), wk = 0.0022039 k( 383) = ( 0.1818182 -0.3401016 0.8484329), wk = 0.0022039 k( 384) = ( 0.1818182 -0.3401016 0.9898384), wk = 0.0022039 k( 385) = ( 0.1818182 -0.2307762 0.0964128), wk = 0.0011019 k( 386) = ( 0.1818182 -0.2307762 0.2378183), wk = 0.0011019 k( 387) = ( 0.1818182 -0.2307762 0.3792238), wk = 0.0011019 k( 388) = ( 0.1818182 -0.2307762 0.5206293), wk = 0.0011019 k( 389) = ( 0.1818182 -0.2307762 0.6620348), wk = 0.0011019 k( 390) = ( 0.1818182 -0.2307762 0.8034403), wk = 0.0011019 k( 391) = ( 0.1818182 -0.2307762 0.9448458), wk = 0.0011019 k( 392) = ( 0.1818182 -0.2307762 1.0862513), wk = 0.0011019 k( 393) = ( 0.1818182 -0.2307762 -0.8934256), wk = 0.0011019 k( 394) = ( 0.1818182 -0.2307762 -0.7520201), wk = 0.0011019 k( 395) = ( 0.1818182 -0.2307762 -0.6106146), wk = 0.0011019 k( 396) = ( 0.1818182 -0.2307762 -0.4692091), wk = 0.0011019 k( 397) = ( 0.1818182 -0.2307762 -0.3278036), wk = 0.0011019 k( 398) = ( 0.1818182 -0.2307762 -0.1863981), wk = 0.0011019 k( 399) = ( 0.1818182 -0.2307762 -0.0449927), wk = 0.0011019 k( 400) = ( 0.2727273 -0.1821763 0.2892385), wk = 0.0011019 k( 401) = ( 0.2727273 -0.1821763 0.4306440), wk = 0.0011019 k( 402) = ( 0.2727273 -0.1821763 0.5720495), wk = 0.0011019 k( 403) = ( 0.2727273 -0.1821763 0.7134550), wk = 0.0011019 k( 404) = ( 0.2727273 -0.1821763 0.8548605), wk = 0.0011019 k( 405) = ( 0.2727273 -0.1821763 0.9962660), wk = 0.0011019 k( 406) = ( 0.2727273 -0.1821763 1.1376714), wk = 0.0011019 k( 407) = ( 0.2727273 -0.1821763 1.2790769), wk = 0.0011019 k( 408) = ( 0.2727273 -0.1821763 -0.7005999), wk = 0.0011019 k( 409) = ( 0.2727273 -0.1821763 -0.5591944), wk = 0.0011019 k( 410) = ( 0.2727273 -0.1821763 -0.4177889), wk = 0.0011019 k( 411) = ( 0.2727273 -0.1821763 -0.2763835), wk = 0.0011019 k( 412) = ( 0.2727273 -0.1821763 -0.1349780), wk = 0.0011019 k( 413) = ( 0.2727273 -0.1821763 0.0064275), wk = 0.0011019 k( 414) = ( 0.2727273 -0.1821763 0.1478330), wk = 0.0011019 k( 415) = ( 0.2727273 -0.0728509 0.3856513), wk = 0.0011019 k( 416) = ( 0.2727273 -0.0728509 0.5270568), wk = 0.0011019 k( 417) = ( 0.2727273 -0.0728509 0.6684623), wk = 0.0011019 k( 418) = ( 0.2727273 -0.0728509 0.8098678), wk = 0.0011019 k( 419) = ( 0.2727273 -0.0728509 0.9512733), wk = 0.0011019 k( 420) = ( 0.2727273 -0.0728509 1.0926788), wk = 0.0011019 k( 421) = ( 0.2727273 -0.0728509 1.2340843), wk = 0.0011019 k( 422) = ( 0.2727273 -0.0728509 1.3754898), wk = 0.0011019 k( 423) = ( 0.2727273 -0.0728509 -0.6041871), wk = 0.0011019 k( 424) = ( 0.2727273 -0.0728509 -0.4627816), wk = 0.0011019 k( 425) = ( 0.2727273 -0.0728509 -0.3213761), wk = 0.0011019 k( 426) = ( 0.2727273 -0.0728509 -0.1799706), wk = 0.0011019 k( 427) = ( 0.2727273 -0.0728509 -0.0385651), wk = 0.0011019 k( 428) = ( 0.2727273 -0.0728509 0.1028404), wk = 0.0011019 k( 429) = ( 0.2727273 -0.0728509 0.2442458), wk = 0.0011019 k( 430) = ( 0.2727273 0.0364745 0.4820642), wk = 0.0011019 k( 431) = ( 0.2727273 0.0364745 0.6234697), wk = 0.0011019 k( 432) = ( 0.2727273 0.0364745 0.7648752), wk = 0.0011019 k( 433) = ( 0.2727273 0.0364745 0.9062806), wk = 0.0011019 k( 434) = ( 0.2727273 0.0364745 1.0476861), wk = 0.0011019 k( 435) = ( 0.2727273 0.0364745 1.1890916), wk = 0.0011019 k( 436) = ( 0.2727273 0.0364745 1.3304971), wk = 0.0011019 k( 437) = ( 0.2727273 0.0364745 1.4719026), wk = 0.0011019 k( 438) = ( 0.2727273 0.0364745 -0.5077743), wk = 0.0011019 k( 439) = ( 0.2727273 0.0364745 -0.3663688), wk = 0.0011019 k( 440) = ( 0.2727273 0.0364745 -0.2249633), wk = 0.0011019 k( 441) = ( 0.2727273 0.0364745 -0.0835578), wk = 0.0011019 k( 442) = ( 0.2727273 0.0364745 0.0578477), wk = 0.0011019 k( 443) = ( 0.2727273 0.0364745 0.1992532), wk = 0.0011019 k( 444) = ( 0.2727273 0.0364745 0.3406587), wk = 0.0011019 k( 445) = ( 0.2727273 0.1457999 0.5784770), wk = 0.0011019 k( 446) = ( 0.2727273 0.1457999 0.7198825), wk = 0.0011019 k( 447) = ( 0.2727273 0.1457999 0.8612880), wk = 0.0011019 k( 448) = ( 0.2727273 0.1457999 1.0026935), wk = 0.0011019 k( 449) = ( 0.2727273 0.1457999 1.1440990), wk = 0.0011019 k( 450) = ( 0.2727273 0.1457999 1.2855045), wk = 0.0011019 k( 451) = ( 0.2727273 0.1457999 1.4269099), wk = 0.0011019 k( 452) = ( 0.2727273 0.1457999 1.5683154), wk = 0.0011019 k( 453) = ( 0.2727273 0.1457999 -0.4113614), wk = 0.0011019 k( 454) = ( 0.2727273 0.1457999 -0.2699559), wk = 0.0011019 k( 455) = ( 0.2727273 0.1457999 -0.1285504), wk = 0.0011019 k( 456) = ( 0.2727273 0.1457999 0.0128550), wk = 0.0011019 k( 457) = ( 0.2727273 0.1457999 0.1542605), wk = 0.0011019 k( 458) = ( 0.2727273 0.1457999 0.2956660), wk = 0.0011019 k( 459) = ( 0.2727273 0.1457999 0.4370715), wk = 0.0011019 k( 460) = ( 0.2727273 0.2551253 0.6748898), wk = 0.0011019 k( 461) = ( 0.2727273 0.2551253 0.8162953), wk = 0.0011019 k( 462) = ( 0.2727273 0.2551253 0.9577008), wk = 0.0011019 k( 463) = ( 0.2727273 0.2551253 1.0991063), wk = 0.0011019 k( 464) = ( 0.2727273 0.2551253 1.2405118), wk = 0.0011019 k( 465) = ( 0.2727273 0.2551253 1.3819173), wk = 0.0011019 k( 466) = ( 0.2727273 0.2551253 1.5233228), wk = 0.0011019 k( 467) = ( 0.2727273 0.2551253 1.6647283), wk = 0.0011019 k( 468) = ( 0.2727273 0.2551253 -0.3149486), wk = 0.0011019 k( 469) = ( 0.2727273 0.2551253 -0.1735431), wk = 0.0011019 k( 470) = ( 0.2727273 0.2551253 -0.0321376), wk = 0.0011019 k( 471) = ( 0.2727273 0.2551253 0.1092679), wk = 0.0011019 k( 472) = ( 0.2727273 0.2551253 0.2506734), wk = 0.0011019 k( 473) = ( 0.2727273 0.2551253 0.3920789), wk = 0.0011019 k( 474) = ( 0.2727273 0.2551253 0.5334844), wk = 0.0011019 k( 475) = ( 0.2727273 0.3644507 0.7713027), wk = 0.0011019 k( 476) = ( 0.2727273 0.3644507 0.9127082), wk = 0.0011019 k( 477) = ( 0.2727273 0.3644507 1.0541137), wk = 0.0011019 k( 478) = ( 0.2727273 0.3644507 1.1955191), wk = 0.0011019 k( 479) = ( 0.2727273 0.3644507 1.3369246), wk = 0.0011019 k( 480) = ( 0.2727273 0.3644507 1.4783301), wk = 0.0011019 k( 481) = ( 0.2727273 0.3644507 1.6197356), wk = 0.0011019 k( 482) = ( 0.2727273 0.3644507 1.7611411), wk = 0.0011019 k( 483) = ( 0.2727273 0.3644507 -0.2185358), wk = 0.0011019 k( 484) = ( 0.2727273 0.3644507 -0.0771303), wk = 0.0011019 k( 485) = ( 0.2727273 0.3644507 0.0642752), wk = 0.0011019 k( 486) = ( 0.2727273 0.3644507 0.2056807), wk = 0.0011019 k( 487) = ( 0.2727273 0.3644507 0.3470862), wk = 0.0011019 k( 488) = ( 0.2727273 0.3644507 0.4884917), wk = 0.0011019 k( 489) = ( 0.2727273 0.3644507 0.6298972), wk = 0.0011019 k( 490) = ( 0.2727273 -0.7288032 -0.1928257), wk = 0.0011019 k( 491) = ( 0.2727273 -0.7288032 -0.0514202), wk = 0.0011019 k( 492) = ( 0.2727273 -0.7288032 0.0899853), wk = 0.0011019 k( 493) = ( 0.2727273 -0.7288032 0.2313908), wk = 0.0011019 k( 494) = ( 0.2727273 -0.7288032 0.3727963), wk = 0.0011019 k( 495) = ( 0.2727273 -0.7288032 0.5142018), wk = 0.0011019 k( 496) = ( 0.2727273 -0.7288032 0.6556073), wk = 0.0011019 k( 497) = ( 0.2727273 -0.7288032 0.7970128), wk = 0.0011019 k( 498) = ( 0.2727273 -0.7288032 -1.1826641), wk = 0.0011019 k( 499) = ( 0.2727273 -0.7288032 -1.0412586), wk = 0.0011019 k( 500) = ( 0.2727273 -0.7288032 -0.8998531), wk = 0.0011019 k( 501) = ( 0.2727273 -0.7288032 -0.7584476), wk = 0.0011019 k( 502) = ( 0.2727273 -0.7288032 -0.6170421), wk = 0.0011019 k( 503) = ( 0.2727273 -0.7288032 -0.4756366), wk = 0.0011019 k( 504) = ( 0.2727273 -0.7288032 -0.3342312), wk = 0.0011019 k( 505) = ( 0.2727273 -0.6194778 -0.0964128), wk = 0.0011019 k( 506) = ( 0.2727273 -0.6194778 0.0449927), wk = 0.0011019 k( 507) = ( 0.2727273 -0.6194778 0.1863981), wk = 0.0011019 k( 508) = ( 0.2727273 -0.6194778 0.3278036), wk = 0.0011019 k( 509) = ( 0.2727273 -0.6194778 0.4692091), wk = 0.0011019 k( 510) = ( 0.2727273 -0.6194778 0.6106146), wk = 0.0011019 k( 511) = ( 0.2727273 -0.6194778 0.7520201), wk = 0.0011019 k( 512) = ( 0.2727273 -0.6194778 0.8934256), wk = 0.0011019 k( 513) = ( 0.2727273 -0.6194778 -1.0862513), wk = 0.0011019 k( 514) = ( 0.2727273 -0.6194778 -0.9448458), wk = 0.0011019 k( 515) = ( 0.2727273 -0.6194778 -0.8034403), wk = 0.0011019 k( 516) = ( 0.2727273 -0.6194778 -0.6620348), wk = 0.0011019 k( 517) = ( 0.2727273 -0.6194778 -0.5206293), wk = 0.0011019 k( 518) = ( 0.2727273 -0.6194778 -0.3792238), wk = 0.0011019 k( 519) = ( 0.2727273 -0.6194778 -0.2378183), wk = 0.0011019 k( 520) = ( 0.2727273 -0.5101524 0.0000000), wk = 0.0011019 k( 521) = ( 0.2727273 -0.5101524 0.1414055), wk = 0.0022039 k( 522) = ( 0.2727273 -0.5101524 0.2828110), wk = 0.0022039 k( 523) = ( 0.2727273 -0.5101524 0.4242165), wk = 0.0022039 k( 524) = ( 0.2727273 -0.5101524 0.5656220), wk = 0.0022039 k( 525) = ( 0.2727273 -0.5101524 0.7070275), wk = 0.0022039 k( 526) = ( 0.2727273 -0.5101524 0.8484329), wk = 0.0022039 k( 527) = ( 0.2727273 -0.5101524 0.9898384), wk = 0.0022039 k( 528) = ( 0.2727273 -0.4008270 0.0964128), wk = 0.0011019 k( 529) = ( 0.2727273 -0.4008270 0.2378183), wk = 0.0011019 k( 530) = ( 0.2727273 -0.4008270 0.3792238), wk = 0.0011019 k( 531) = ( 0.2727273 -0.4008270 0.5206293), wk = 0.0011019 k( 532) = ( 0.2727273 -0.4008270 0.6620348), wk = 0.0011019 k( 533) = ( 0.2727273 -0.4008270 0.8034403), wk = 0.0011019 k( 534) = ( 0.2727273 -0.4008270 0.9448458), wk = 0.0011019 k( 535) = ( 0.2727273 -0.4008270 1.0862513), wk = 0.0011019 k( 536) = ( 0.2727273 -0.4008270 -0.8934256), wk = 0.0011019 k( 537) = ( 0.2727273 -0.4008270 -0.7520201), wk = 0.0011019 k( 538) = ( 0.2727273 -0.4008270 -0.6106146), wk = 0.0011019 k( 539) = ( 0.2727273 -0.4008270 -0.4692091), wk = 0.0011019 k( 540) = ( 0.2727273 -0.4008270 -0.3278036), wk = 0.0011019 k( 541) = ( 0.2727273 -0.4008270 -0.1863981), wk = 0.0011019 k( 542) = ( 0.2727273 -0.4008270 -0.0449927), wk = 0.0011019 k( 543) = ( 0.2727273 -0.2915016 0.1928257), wk = 0.0011019 k( 544) = ( 0.2727273 -0.2915016 0.3342312), wk = 0.0011019 k( 545) = ( 0.2727273 -0.2915016 0.4756366), wk = 0.0011019 k( 546) = ( 0.2727273 -0.2915016 0.6170421), wk = 0.0011019 k( 547) = ( 0.2727273 -0.2915016 0.7584476), wk = 0.0011019 k( 548) = ( 0.2727273 -0.2915016 0.8998531), wk = 0.0011019 k( 549) = ( 0.2727273 -0.2915016 1.0412586), wk = 0.0011019 k( 550) = ( 0.2727273 -0.2915016 1.1826641), wk = 0.0011019 k( 551) = ( 0.2727273 -0.2915016 -0.7970128), wk = 0.0011019 k( 552) = ( 0.2727273 -0.2915016 -0.6556073), wk = 0.0011019 k( 553) = ( 0.2727273 -0.2915016 -0.5142018), wk = 0.0011019 k( 554) = ( 0.2727273 -0.2915016 -0.3727963), wk = 0.0011019 k( 555) = ( 0.2727273 -0.2915016 -0.2313908), wk = 0.0011019 k( 556) = ( 0.2727273 -0.2915016 -0.0899853), wk = 0.0011019 k( 557) = ( 0.2727273 -0.2915016 0.0514202), wk = 0.0011019 k( 558) = ( 0.3636364 -0.2429017 0.3856513), wk = 0.0011019 k( 559) = ( 0.3636364 -0.2429017 0.5270568), wk = 0.0011019 k( 560) = ( 0.3636364 -0.2429017 0.6684623), wk = 0.0011019 k( 561) = ( 0.3636364 -0.2429017 0.8098678), wk = 0.0011019 k( 562) = ( 0.3636364 -0.2429017 0.9512733), wk = 0.0011019 k( 563) = ( 0.3636364 -0.2429017 1.0926788), wk = 0.0011019 k( 564) = ( 0.3636364 -0.2429017 1.2340843), wk = 0.0011019 k( 565) = ( 0.3636364 -0.2429017 1.3754898), wk = 0.0011019 k( 566) = ( 0.3636364 -0.2429017 -0.6041871), wk = 0.0011019 k( 567) = ( 0.3636364 -0.2429017 -0.4627816), wk = 0.0011019 k( 568) = ( 0.3636364 -0.2429017 -0.3213761), wk = 0.0011019 k( 569) = ( 0.3636364 -0.2429017 -0.1799706), wk = 0.0011019 k( 570) = ( 0.3636364 -0.2429017 -0.0385651), wk = 0.0011019 k( 571) = ( 0.3636364 -0.2429017 0.1028404), wk = 0.0011019 k( 572) = ( 0.3636364 -0.2429017 0.2442458), wk = 0.0011019 k( 573) = ( 0.3636364 -0.1335763 0.4820642), wk = 0.0011019 k( 574) = ( 0.3636364 -0.1335763 0.6234697), wk = 0.0011019 k( 575) = ( 0.3636364 -0.1335763 0.7648752), wk = 0.0011019 k( 576) = ( 0.3636364 -0.1335763 0.9062806), wk = 0.0011019 k( 577) = ( 0.3636364 -0.1335763 1.0476861), wk = 0.0011019 k( 578) = ( 0.3636364 -0.1335763 1.1890916), wk = 0.0011019 k( 579) = ( 0.3636364 -0.1335763 1.3304971), wk = 0.0011019 k( 580) = ( 0.3636364 -0.1335763 1.4719026), wk = 0.0011019 k( 581) = ( 0.3636364 -0.1335763 -0.5077743), wk = 0.0011019 k( 582) = ( 0.3636364 -0.1335763 -0.3663688), wk = 0.0011019 k( 583) = ( 0.3636364 -0.1335763 -0.2249633), wk = 0.0011019 k( 584) = ( 0.3636364 -0.1335763 -0.0835578), wk = 0.0011019 k( 585) = ( 0.3636364 -0.1335763 0.0578477), wk = 0.0011019 k( 586) = ( 0.3636364 -0.1335763 0.1992532), wk = 0.0011019 k( 587) = ( 0.3636364 -0.1335763 0.3406587), wk = 0.0011019 k( 588) = ( 0.3636364 -0.0242509 0.5784770), wk = 0.0011019 k( 589) = ( 0.3636364 -0.0242509 0.7198825), wk = 0.0011019 k( 590) = ( 0.3636364 -0.0242509 0.8612880), wk = 0.0011019 k( 591) = ( 0.3636364 -0.0242509 1.0026935), wk = 0.0011019 k( 592) = ( 0.3636364 -0.0242509 1.1440990), wk = 0.0011019 k( 593) = ( 0.3636364 -0.0242509 1.2855045), wk = 0.0011019 k( 594) = ( 0.3636364 -0.0242509 1.4269099), wk = 0.0011019 k( 595) = ( 0.3636364 -0.0242509 1.5683154), wk = 0.0011019 k( 596) = ( 0.3636364 -0.0242509 -0.4113614), wk = 0.0011019 k( 597) = ( 0.3636364 -0.0242509 -0.2699559), wk = 0.0011019 k( 598) = ( 0.3636364 -0.0242509 -0.1285504), wk = 0.0011019 k( 599) = ( 0.3636364 -0.0242509 0.0128550), wk = 0.0011019 k( 600) = ( 0.3636364 -0.0242509 0.1542605), wk = 0.0011019 k( 601) = ( 0.3636364 -0.0242509 0.2956660), wk = 0.0011019 k( 602) = ( 0.3636364 -0.0242509 0.4370715), wk = 0.0011019 k( 603) = ( 0.3636364 0.0850745 0.6748898), wk = 0.0011019 k( 604) = ( 0.3636364 0.0850745 0.8162953), wk = 0.0011019 k( 605) = ( 0.3636364 0.0850745 0.9577008), wk = 0.0011019 k( 606) = ( 0.3636364 0.0850745 1.0991063), wk = 0.0011019 k( 607) = ( 0.3636364 0.0850745 1.2405118), wk = 0.0011019 k( 608) = ( 0.3636364 0.0850745 1.3819173), wk = 0.0011019 k( 609) = ( 0.3636364 0.0850745 1.5233228), wk = 0.0011019 k( 610) = ( 0.3636364 0.0850745 1.6647283), wk = 0.0011019 k( 611) = ( 0.3636364 0.0850745 -0.3149486), wk = 0.0011019 k( 612) = ( 0.3636364 0.0850745 -0.1735431), wk = 0.0011019 k( 613) = ( 0.3636364 0.0850745 -0.0321376), wk = 0.0011019 k( 614) = ( 0.3636364 0.0850745 0.1092679), wk = 0.0011019 k( 615) = ( 0.3636364 0.0850745 0.2506734), wk = 0.0011019 k( 616) = ( 0.3636364 0.0850745 0.3920789), wk = 0.0011019 k( 617) = ( 0.3636364 0.0850745 0.5334844), wk = 0.0011019 k( 618) = ( 0.3636364 0.1943999 0.7713027), wk = 0.0011019 k( 619) = ( 0.3636364 0.1943999 0.9127082), wk = 0.0011019 k( 620) = ( 0.3636364 0.1943999 1.0541137), wk = 0.0011019 k( 621) = ( 0.3636364 0.1943999 1.1955191), wk = 0.0011019 k( 622) = ( 0.3636364 0.1943999 1.3369246), wk = 0.0011019 k( 623) = ( 0.3636364 0.1943999 1.4783301), wk = 0.0011019 k( 624) = ( 0.3636364 0.1943999 1.6197356), wk = 0.0011019 k( 625) = ( 0.3636364 0.1943999 1.7611411), wk = 0.0011019 k( 626) = ( 0.3636364 0.1943999 -0.2185358), wk = 0.0011019 k( 627) = ( 0.3636364 0.1943999 -0.0771303), wk = 0.0011019 k( 628) = ( 0.3636364 0.1943999 0.0642752), wk = 0.0011019 k( 629) = ( 0.3636364 0.1943999 0.2056807), wk = 0.0011019 k( 630) = ( 0.3636364 0.1943999 0.3470862), wk = 0.0011019 k( 631) = ( 0.3636364 0.1943999 0.4884917), wk = 0.0011019 k( 632) = ( 0.3636364 0.1943999 0.6298972), wk = 0.0011019 k( 633) = ( 0.3636364 0.3037252 0.8677155), wk = 0.0011019 k( 634) = ( 0.3636364 0.3037252 1.0091210), wk = 0.0011019 k( 635) = ( 0.3636364 0.3037252 1.1505265), wk = 0.0011019 k( 636) = ( 0.3636364 0.3037252 1.2919320), wk = 0.0011019 k( 637) = ( 0.3636364 0.3037252 1.4333375), wk = 0.0011019 k( 638) = ( 0.3636364 0.3037252 1.5747430), wk = 0.0011019 k( 639) = ( 0.3636364 0.3037252 1.7161485), wk = 0.0011019 k( 640) = ( 0.3636364 0.3037252 1.8575539), wk = 0.0011019 k( 641) = ( 0.3636364 0.3037252 -0.1221229), wk = 0.0011019 k( 642) = ( 0.3636364 0.3037252 0.0192826), wk = 0.0011019 k( 643) = ( 0.3636364 0.3037252 0.1606881), wk = 0.0011019 k( 644) = ( 0.3636364 0.3037252 0.3020935), wk = 0.0011019 k( 645) = ( 0.3636364 0.3037252 0.4434990), wk = 0.0011019 k( 646) = ( 0.3636364 0.3037252 0.5849045), wk = 0.0011019 k( 647) = ( 0.3636364 0.3037252 0.7263100), wk = 0.0011019 k( 648) = ( 0.3636364 -0.7895286 -0.0964128), wk = 0.0011019 k( 649) = ( 0.3636364 -0.7895286 0.0449927), wk = 0.0011019 k( 650) = ( 0.3636364 -0.7895286 0.1863981), wk = 0.0011019 k( 651) = ( 0.3636364 -0.7895286 0.3278036), wk = 0.0011019 k( 652) = ( 0.3636364 -0.7895286 0.4692091), wk = 0.0011019 k( 653) = ( 0.3636364 -0.7895286 0.6106146), wk = 0.0011019 k( 654) = ( 0.3636364 -0.7895286 0.7520201), wk = 0.0011019 k( 655) = ( 0.3636364 -0.7895286 0.8934256), wk = 0.0011019 k( 656) = ( 0.3636364 -0.7895286 -1.0862513), wk = 0.0011019 k( 657) = ( 0.3636364 -0.7895286 -0.9448458), wk = 0.0011019 k( 658) = ( 0.3636364 -0.7895286 -0.8034403), wk = 0.0011019 k( 659) = ( 0.3636364 -0.7895286 -0.6620348), wk = 0.0011019 k( 660) = ( 0.3636364 -0.7895286 -0.5206293), wk = 0.0011019 k( 661) = ( 0.3636364 -0.7895286 -0.3792238), wk = 0.0011019 k( 662) = ( 0.3636364 -0.7895286 -0.2378183), wk = 0.0011019 k( 663) = ( 0.3636364 -0.6802032 0.0000000), wk = 0.0011019 k( 664) = ( 0.3636364 -0.6802032 0.1414055), wk = 0.0022039 k( 665) = ( 0.3636364 -0.6802032 0.2828110), wk = 0.0022039 k( 666) = ( 0.3636364 -0.6802032 0.4242165), wk = 0.0022039 k( 667) = ( 0.3636364 -0.6802032 0.5656220), wk = 0.0022039 k( 668) = ( 0.3636364 -0.6802032 0.7070275), wk = 0.0022039 k( 669) = ( 0.3636364 -0.6802032 0.8484329), wk = 0.0022039 k( 670) = ( 0.3636364 -0.6802032 0.9898384), wk = 0.0022039 k( 671) = ( 0.3636364 -0.5708778 0.0964128), wk = 0.0011019 k( 672) = ( 0.3636364 -0.5708778 0.2378183), wk = 0.0011019 k( 673) = ( 0.3636364 -0.5708778 0.3792238), wk = 0.0011019 k( 674) = ( 0.3636364 -0.5708778 0.5206293), wk = 0.0011019 k( 675) = ( 0.3636364 -0.5708778 0.6620348), wk = 0.0011019 k( 676) = ( 0.3636364 -0.5708778 0.8034403), wk = 0.0011019 k( 677) = ( 0.3636364 -0.5708778 0.9448458), wk = 0.0011019 k( 678) = ( 0.3636364 -0.5708778 1.0862513), wk = 0.0011019 k( 679) = ( 0.3636364 -0.5708778 -0.8934256), wk = 0.0011019 k( 680) = ( 0.3636364 -0.5708778 -0.7520201), wk = 0.0011019 k( 681) = ( 0.3636364 -0.5708778 -0.6106146), wk = 0.0011019 k( 682) = ( 0.3636364 -0.5708778 -0.4692091), wk = 0.0011019 k( 683) = ( 0.3636364 -0.5708778 -0.3278036), wk = 0.0011019 k( 684) = ( 0.3636364 -0.5708778 -0.1863981), wk = 0.0011019 k( 685) = ( 0.3636364 -0.5708778 -0.0449927), wk = 0.0011019 k( 686) = ( 0.3636364 -0.4615524 0.1928257), wk = 0.0011019 k( 687) = ( 0.3636364 -0.4615524 0.3342312), wk = 0.0011019 k( 688) = ( 0.3636364 -0.4615524 0.4756366), wk = 0.0011019 k( 689) = ( 0.3636364 -0.4615524 0.6170421), wk = 0.0011019 k( 690) = ( 0.3636364 -0.4615524 0.7584476), wk = 0.0011019 k( 691) = ( 0.3636364 -0.4615524 0.8998531), wk = 0.0011019 k( 692) = ( 0.3636364 -0.4615524 1.0412586), wk = 0.0011019 k( 693) = ( 0.3636364 -0.4615524 1.1826641), wk = 0.0011019 k( 694) = ( 0.3636364 -0.4615524 -0.7970128), wk = 0.0011019 k( 695) = ( 0.3636364 -0.4615524 -0.6556073), wk = 0.0011019 k( 696) = ( 0.3636364 -0.4615524 -0.5142018), wk = 0.0011019 k( 697) = ( 0.3636364 -0.4615524 -0.3727963), wk = 0.0011019 k( 698) = ( 0.3636364 -0.4615524 -0.2313908), wk = 0.0011019 k( 699) = ( 0.3636364 -0.4615524 -0.0899853), wk = 0.0011019 k( 700) = ( 0.3636364 -0.4615524 0.0514202), wk = 0.0011019 k( 701) = ( 0.3636364 -0.3522271 0.2892385), wk = 0.0011019 k( 702) = ( 0.3636364 -0.3522271 0.4306440), wk = 0.0011019 k( 703) = ( 0.3636364 -0.3522271 0.5720495), wk = 0.0011019 k( 704) = ( 0.3636364 -0.3522271 0.7134550), wk = 0.0011019 k( 705) = ( 0.3636364 -0.3522271 0.8548605), wk = 0.0011019 k( 706) = ( 0.3636364 -0.3522271 0.9962660), wk = 0.0011019 k( 707) = ( 0.3636364 -0.3522271 1.1376714), wk = 0.0011019 k( 708) = ( 0.3636364 -0.3522271 1.2790769), wk = 0.0011019 k( 709) = ( 0.3636364 -0.3522271 -0.7005999), wk = 0.0011019 k( 710) = ( 0.3636364 -0.3522271 -0.5591944), wk = 0.0011019 k( 711) = ( 0.3636364 -0.3522271 -0.4177889), wk = 0.0011019 k( 712) = ( 0.3636364 -0.3522271 -0.2763835), wk = 0.0011019 k( 713) = ( 0.3636364 -0.3522271 -0.1349780), wk = 0.0011019 k( 714) = ( 0.3636364 -0.3522271 0.0064275), wk = 0.0011019 k( 715) = ( 0.3636364 -0.3522271 0.1478330), wk = 0.0011019 k( 716) = ( 0.4545455 -0.3036271 0.4820642), wk = 0.0011019 k( 717) = ( 0.4545455 -0.3036271 0.6234697), wk = 0.0011019 k( 718) = ( 0.4545455 -0.3036271 0.7648752), wk = 0.0011019 k( 719) = ( 0.4545455 -0.3036271 0.9062806), wk = 0.0011019 k( 720) = ( 0.4545455 -0.3036271 1.0476861), wk = 0.0011019 k( 721) = ( 0.4545455 -0.3036271 1.1890916), wk = 0.0011019 k( 722) = ( 0.4545455 -0.3036271 1.3304971), wk = 0.0011019 k( 723) = ( 0.4545455 -0.3036271 1.4719026), wk = 0.0011019 k( 724) = ( 0.4545455 -0.3036271 -0.5077743), wk = 0.0011019 k( 725) = ( 0.4545455 -0.3036271 -0.3663688), wk = 0.0011019 k( 726) = ( 0.4545455 -0.3036271 -0.2249633), wk = 0.0011019 k( 727) = ( 0.4545455 -0.3036271 -0.0835578), wk = 0.0011019 k( 728) = ( 0.4545455 -0.3036271 0.0578477), wk = 0.0011019 k( 729) = ( 0.4545455 -0.3036271 0.1992532), wk = 0.0011019 k( 730) = ( 0.4545455 -0.3036271 0.3406587), wk = 0.0011019 k( 731) = ( 0.4545455 -0.1943017 0.5784770), wk = 0.0011019 k( 732) = ( 0.4545455 -0.1943017 0.7198825), wk = 0.0011019 k( 733) = ( 0.4545455 -0.1943017 0.8612880), wk = 0.0011019 k( 734) = ( 0.4545455 -0.1943017 1.0026935), wk = 0.0011019 k( 735) = ( 0.4545455 -0.1943017 1.1440990), wk = 0.0011019 k( 736) = ( 0.4545455 -0.1943017 1.2855045), wk = 0.0011019 k( 737) = ( 0.4545455 -0.1943017 1.4269099), wk = 0.0011019 k( 738) = ( 0.4545455 -0.1943017 1.5683154), wk = 0.0011019 k( 739) = ( 0.4545455 -0.1943017 -0.4113614), wk = 0.0011019 k( 740) = ( 0.4545455 -0.1943017 -0.2699559), wk = 0.0011019 k( 741) = ( 0.4545455 -0.1943017 -0.1285504), wk = 0.0011019 k( 742) = ( 0.4545455 -0.1943017 0.0128550), wk = 0.0011019 k( 743) = ( 0.4545455 -0.1943017 0.1542605), wk = 0.0011019 k( 744) = ( 0.4545455 -0.1943017 0.2956660), wk = 0.0011019 k( 745) = ( 0.4545455 -0.1943017 0.4370715), wk = 0.0011019 k( 746) = ( 0.4545455 -0.0849763 0.6748898), wk = 0.0011019 k( 747) = ( 0.4545455 -0.0849763 0.8162953), wk = 0.0011019 k( 748) = ( 0.4545455 -0.0849763 0.9577008), wk = 0.0011019 k( 749) = ( 0.4545455 -0.0849763 1.0991063), wk = 0.0011019 k( 750) = ( 0.4545455 -0.0849763 1.2405118), wk = 0.0011019 k( 751) = ( 0.4545455 -0.0849763 1.3819173), wk = 0.0011019 k( 752) = ( 0.4545455 -0.0849763 1.5233228), wk = 0.0011019 k( 753) = ( 0.4545455 -0.0849763 1.6647283), wk = 0.0011019 k( 754) = ( 0.4545455 -0.0849763 -0.3149486), wk = 0.0011019 k( 755) = ( 0.4545455 -0.0849763 -0.1735431), wk = 0.0011019 k( 756) = ( 0.4545455 -0.0849763 -0.0321376), wk = 0.0011019 k( 757) = ( 0.4545455 -0.0849763 0.1092679), wk = 0.0011019 k( 758) = ( 0.4545455 -0.0849763 0.2506734), wk = 0.0011019 k( 759) = ( 0.4545455 -0.0849763 0.3920789), wk = 0.0011019 k( 760) = ( 0.4545455 -0.0849763 0.5334844), wk = 0.0011019 k( 761) = ( 0.4545455 0.0243491 0.7713027), wk = 0.0011019 k( 762) = ( 0.4545455 0.0243491 0.9127082), wk = 0.0011019 k( 763) = ( 0.4545455 0.0243491 1.0541137), wk = 0.0011019 k( 764) = ( 0.4545455 0.0243491 1.1955191), wk = 0.0011019 k( 765) = ( 0.4545455 0.0243491 1.3369246), wk = 0.0011019 k( 766) = ( 0.4545455 0.0243491 1.4783301), wk = 0.0011019 k( 767) = ( 0.4545455 0.0243491 1.6197356), wk = 0.0011019 k( 768) = ( 0.4545455 0.0243491 1.7611411), wk = 0.0011019 k( 769) = ( 0.4545455 0.0243491 -0.2185358), wk = 0.0011019 k( 770) = ( 0.4545455 0.0243491 -0.0771303), wk = 0.0011019 k( 771) = ( 0.4545455 0.0243491 0.0642752), wk = 0.0011019 k( 772) = ( 0.4545455 0.0243491 0.2056807), wk = 0.0011019 k( 773) = ( 0.4545455 0.0243491 0.3470862), wk = 0.0011019 k( 774) = ( 0.4545455 0.0243491 0.4884917), wk = 0.0011019 k( 775) = ( 0.4545455 0.0243491 0.6298972), wk = 0.0011019 k( 776) = ( 0.4545455 0.1336744 0.8677155), wk = 0.0011019 k( 777) = ( 0.4545455 0.1336744 1.0091210), wk = 0.0011019 k( 778) = ( 0.4545455 0.1336744 1.1505265), wk = 0.0011019 k( 779) = ( 0.4545455 0.1336744 1.2919320), wk = 0.0011019 k( 780) = ( 0.4545455 0.1336744 1.4333375), wk = 0.0011019 k( 781) = ( 0.4545455 0.1336744 1.5747430), wk = 0.0011019 k( 782) = ( 0.4545455 0.1336744 1.7161485), wk = 0.0011019 k( 783) = ( 0.4545455 0.1336744 1.8575539), wk = 0.0011019 k( 784) = ( 0.4545455 0.1336744 -0.1221229), wk = 0.0011019 k( 785) = ( 0.4545455 0.1336744 0.0192826), wk = 0.0011019 k( 786) = ( 0.4545455 0.1336744 0.1606881), wk = 0.0011019 k( 787) = ( 0.4545455 0.1336744 0.3020935), wk = 0.0011019 k( 788) = ( 0.4545455 0.1336744 0.4434990), wk = 0.0011019 k( 789) = ( 0.4545455 0.1336744 0.5849045), wk = 0.0011019 k( 790) = ( 0.4545455 0.1336744 0.7263100), wk = 0.0011019 k( 791) = ( 0.4545455 0.2429998 0.9641283), wk = 0.0011019 k( 792) = ( 0.4545455 0.2429998 1.1055338), wk = 0.0011019 k( 793) = ( 0.4545455 0.2429998 1.2469393), wk = 0.0011019 k( 794) = ( 0.4545455 0.2429998 1.3883448), wk = 0.0011019 k( 795) = ( 0.4545455 0.2429998 1.5297503), wk = 0.0011019 k( 796) = ( 0.4545455 0.2429998 1.6711558), wk = 0.0011019 k( 797) = ( 0.4545455 0.2429998 1.8125613), wk = 0.0011019 k( 798) = ( 0.4545455 0.2429998 1.9539668), wk = 0.0011019 k( 799) = ( 0.4545455 0.2429998 -0.0257101), wk = 0.0011019 k( 800) = ( 0.4545455 0.2429998 0.1156954), wk = 0.0011019 k( 801) = ( 0.4545455 0.2429998 0.2571009), wk = 0.0011019 k( 802) = ( 0.4545455 0.2429998 0.3985064), wk = 0.0011019 k( 803) = ( 0.4545455 0.2429998 0.5399119), wk = 0.0011019 k( 804) = ( 0.4545455 0.2429998 0.6813174), wk = 0.0011019 k( 805) = ( 0.4545455 0.2429998 0.8227229), wk = 0.0011019 k( 806) = ( 0.4545455 -0.8502540 -0.0000000), wk = 0.0011019 k( 807) = ( 0.4545455 -0.8502540 0.1414055), wk = 0.0022039 k( 808) = ( 0.4545455 -0.8502540 0.2828110), wk = 0.0022039 k( 809) = ( 0.4545455 -0.8502540 0.4242165), wk = 0.0022039 k( 810) = ( 0.4545455 -0.8502540 0.5656220), wk = 0.0022039 k( 811) = ( 0.4545455 -0.8502540 0.7070275), wk = 0.0022039 k( 812) = ( 0.4545455 -0.8502540 0.8484329), wk = 0.0022039 k( 813) = ( 0.4545455 -0.8502540 0.9898384), wk = 0.0022039 k( 814) = ( 0.4545455 -0.7409286 0.0964128), wk = 0.0011019 k( 815) = ( 0.4545455 -0.7409286 0.2378183), wk = 0.0011019 k( 816) = ( 0.4545455 -0.7409286 0.3792238), wk = 0.0011019 k( 817) = ( 0.4545455 -0.7409286 0.5206293), wk = 0.0011019 k( 818) = ( 0.4545455 -0.7409286 0.6620348), wk = 0.0011019 k( 819) = ( 0.4545455 -0.7409286 0.8034403), wk = 0.0011019 k( 820) = ( 0.4545455 -0.7409286 0.9448458), wk = 0.0011019 k( 821) = ( 0.4545455 -0.7409286 1.0862513), wk = 0.0011019 k( 822) = ( 0.4545455 -0.7409286 -0.8934256), wk = 0.0011019 k( 823) = ( 0.4545455 -0.7409286 -0.7520201), wk = 0.0011019 k( 824) = ( 0.4545455 -0.7409286 -0.6106146), wk = 0.0011019 k( 825) = ( 0.4545455 -0.7409286 -0.4692091), wk = 0.0011019 k( 826) = ( 0.4545455 -0.7409286 -0.3278036), wk = 0.0011019 k( 827) = ( 0.4545455 -0.7409286 -0.1863981), wk = 0.0011019 k( 828) = ( 0.4545455 -0.7409286 -0.0449927), wk = 0.0011019 k( 829) = ( 0.4545455 -0.6316032 0.1928257), wk = 0.0011019 k( 830) = ( 0.4545455 -0.6316032 0.3342312), wk = 0.0011019 k( 831) = ( 0.4545455 -0.6316032 0.4756366), wk = 0.0011019 k( 832) = ( 0.4545455 -0.6316032 0.6170421), wk = 0.0011019 k( 833) = ( 0.4545455 -0.6316032 0.7584476), wk = 0.0011019 k( 834) = ( 0.4545455 -0.6316032 0.8998531), wk = 0.0011019 k( 835) = ( 0.4545455 -0.6316032 1.0412586), wk = 0.0011019 k( 836) = ( 0.4545455 -0.6316032 1.1826641), wk = 0.0011019 k( 837) = ( 0.4545455 -0.6316032 -0.7970128), wk = 0.0011019 k( 838) = ( 0.4545455 -0.6316032 -0.6556073), wk = 0.0011019 k( 839) = ( 0.4545455 -0.6316032 -0.5142018), wk = 0.0011019 k( 840) = ( 0.4545455 -0.6316032 -0.3727963), wk = 0.0011019 k( 841) = ( 0.4545455 -0.6316032 -0.2313908), wk = 0.0011019 k( 842) = ( 0.4545455 -0.6316032 -0.0899853), wk = 0.0011019 k( 843) = ( 0.4545455 -0.6316032 0.0514202), wk = 0.0011019 k( 844) = ( 0.4545455 -0.5222779 0.2892385), wk = 0.0011019 k( 845) = ( 0.4545455 -0.5222779 0.4306440), wk = 0.0011019 k( 846) = ( 0.4545455 -0.5222779 0.5720495), wk = 0.0011019 k( 847) = ( 0.4545455 -0.5222779 0.7134550), wk = 0.0011019 k( 848) = ( 0.4545455 -0.5222779 0.8548605), wk = 0.0011019 k( 849) = ( 0.4545455 -0.5222779 0.9962660), wk = 0.0011019 k( 850) = ( 0.4545455 -0.5222779 1.1376714), wk = 0.0011019 k( 851) = ( 0.4545455 -0.5222779 1.2790769), wk = 0.0011019 k( 852) = ( 0.4545455 -0.5222779 -0.7005999), wk = 0.0011019 k( 853) = ( 0.4545455 -0.5222779 -0.5591944), wk = 0.0011019 k( 854) = ( 0.4545455 -0.5222779 -0.4177889), wk = 0.0011019 k( 855) = ( 0.4545455 -0.5222779 -0.2763835), wk = 0.0011019 k( 856) = ( 0.4545455 -0.5222779 -0.1349780), wk = 0.0011019 k( 857) = ( 0.4545455 -0.5222779 0.0064275), wk = 0.0011019 k( 858) = ( 0.4545455 -0.5222779 0.1478330), wk = 0.0011019 k( 859) = ( 0.4545455 -0.4129525 0.3856513), wk = 0.0011019 k( 860) = ( 0.4545455 -0.4129525 0.5270568), wk = 0.0011019 k( 861) = ( 0.4545455 -0.4129525 0.6684623), wk = 0.0011019 k( 862) = ( 0.4545455 -0.4129525 0.8098678), wk = 0.0011019 k( 863) = ( 0.4545455 -0.4129525 0.9512733), wk = 0.0011019 k( 864) = ( 0.4545455 -0.4129525 1.0926788), wk = 0.0011019 k( 865) = ( 0.4545455 -0.4129525 1.2340843), wk = 0.0011019 k( 866) = ( 0.4545455 -0.4129525 1.3754898), wk = 0.0011019 k( 867) = ( 0.4545455 -0.4129525 -0.6041871), wk = 0.0011019 k( 868) = ( 0.4545455 -0.4129525 -0.4627816), wk = 0.0011019 k( 869) = ( 0.4545455 -0.4129525 -0.3213761), wk = 0.0011019 k( 870) = ( 0.4545455 -0.4129525 -0.1799706), wk = 0.0011019 k( 871) = ( 0.4545455 -0.4129525 -0.0385651), wk = 0.0011019 k( 872) = ( 0.4545455 -0.4129525 0.1028404), wk = 0.0011019 k( 873) = ( 0.4545455 -0.4129525 0.2442458), wk = 0.0011019 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0005510 k( 2) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0011019 k( 3) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0011019 k( 4) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0011019 k( 5) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0011019 k( 6) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0011019 k( 7) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0011019 k( 8) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0011019 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0011019 k( 10) = ( 0.0000000 0.0909091 0.0666667), wk = 0.0011019 k( 11) = ( 0.0000000 0.0909091 0.1333333), wk = 0.0011019 k( 12) = ( 0.0000000 0.0909091 0.2000000), wk = 0.0011019 k( 13) = ( 0.0000000 0.0909091 0.2666667), wk = 0.0011019 k( 14) = ( 0.0000000 0.0909091 0.3333333), wk = 0.0011019 k( 15) = ( 0.0000000 0.0909091 0.4000000), wk = 0.0011019 k( 16) = ( 0.0000000 0.0909091 0.4666667), wk = 0.0011019 k( 17) = ( 0.0000000 0.0909091 -0.4666667), wk = 0.0011019 k( 18) = ( 0.0000000 0.0909091 -0.4000000), wk = 0.0011019 k( 19) = ( 0.0000000 0.0909091 -0.3333333), wk = 0.0011019 k( 20) = ( 0.0000000 0.0909091 -0.2666667), wk = 0.0011019 k( 21) = ( 0.0000000 0.0909091 -0.2000000), wk = 0.0011019 k( 22) = ( 0.0000000 0.0909091 -0.1333333), wk = 0.0011019 k( 23) = ( 0.0000000 0.0909091 -0.0666667), wk = 0.0011019 k( 24) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0011019 k( 25) = ( 0.0000000 0.1818182 0.0666667), wk = 0.0011019 k( 26) = ( 0.0000000 0.1818182 0.1333333), wk = 0.0011019 k( 27) = ( 0.0000000 0.1818182 0.2000000), wk = 0.0011019 k( 28) = ( 0.0000000 0.1818182 0.2666667), wk = 0.0011019 k( 29) = ( 0.0000000 0.1818182 0.3333333), wk = 0.0011019 k( 30) = ( 0.0000000 0.1818182 0.4000000), wk = 0.0011019 k( 31) = ( 0.0000000 0.1818182 0.4666667), wk = 0.0011019 k( 32) = ( 0.0000000 0.1818182 -0.4666667), wk = 0.0011019 k( 33) = ( 0.0000000 0.1818182 -0.4000000), wk = 0.0011019 k( 34) = ( 0.0000000 0.1818182 -0.3333333), wk = 0.0011019 k( 35) = ( 0.0000000 0.1818182 -0.2666667), wk = 0.0011019 k( 36) = ( 0.0000000 0.1818182 -0.2000000), wk = 0.0011019 k( 37) = ( 0.0000000 0.1818182 -0.1333333), wk = 0.0011019 k( 38) = ( 0.0000000 0.1818182 -0.0666667), wk = 0.0011019 k( 39) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0011019 k( 40) = ( 0.0000000 0.2727273 0.0666667), wk = 0.0011019 k( 41) = ( 0.0000000 0.2727273 0.1333333), wk = 0.0011019 k( 42) = ( 0.0000000 0.2727273 0.2000000), wk = 0.0011019 k( 43) = ( 0.0000000 0.2727273 0.2666667), wk = 0.0011019 k( 44) = ( 0.0000000 0.2727273 0.3333333), wk = 0.0011019 k( 45) = ( 0.0000000 0.2727273 0.4000000), wk = 0.0011019 k( 46) = ( 0.0000000 0.2727273 0.4666667), wk = 0.0011019 k( 47) = ( 0.0000000 0.2727273 -0.4666667), wk = 0.0011019 k( 48) = ( 0.0000000 0.2727273 -0.4000000), wk = 0.0011019 k( 49) = ( 0.0000000 0.2727273 -0.3333333), wk = 0.0011019 k( 50) = ( 0.0000000 0.2727273 -0.2666667), wk = 0.0011019 k( 51) = ( 0.0000000 0.2727273 -0.2000000), wk = 0.0011019 k( 52) = ( 0.0000000 0.2727273 -0.1333333), wk = 0.0011019 k( 53) = ( 0.0000000 0.2727273 -0.0666667), wk = 0.0011019 k( 54) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0011019 k( 55) = ( 0.0000000 0.3636364 0.0666667), wk = 0.0011019 k( 56) = ( 0.0000000 0.3636364 0.1333333), wk = 0.0011019 k( 57) = ( 0.0000000 0.3636364 0.2000000), wk = 0.0011019 k( 58) = ( 0.0000000 0.3636364 0.2666667), wk = 0.0011019 k( 59) = ( 0.0000000 0.3636364 0.3333333), wk = 0.0011019 k( 60) = ( 0.0000000 0.3636364 0.4000000), wk = 0.0011019 k( 61) = ( 0.0000000 0.3636364 0.4666667), wk = 0.0011019 k( 62) = ( 0.0000000 0.3636364 -0.4666667), wk = 0.0011019 k( 63) = ( 0.0000000 0.3636364 -0.4000000), wk = 0.0011019 k( 64) = ( 0.0000000 0.3636364 -0.3333333), wk = 0.0011019 k( 65) = ( 0.0000000 0.3636364 -0.2666667), wk = 0.0011019 k( 66) = ( 0.0000000 0.3636364 -0.2000000), wk = 0.0011019 k( 67) = ( 0.0000000 0.3636364 -0.1333333), wk = 0.0011019 k( 68) = ( 0.0000000 0.3636364 -0.0666667), wk = 0.0011019 k( 69) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0011019 k( 70) = ( 0.0000000 0.4545455 0.0666667), wk = 0.0011019 k( 71) = ( 0.0000000 0.4545455 0.1333333), wk = 0.0011019 k( 72) = ( 0.0000000 0.4545455 0.2000000), wk = 0.0011019 k( 73) = ( 0.0000000 0.4545455 0.2666667), wk = 0.0011019 k( 74) = ( 0.0000000 0.4545455 0.3333333), wk = 0.0011019 k( 75) = ( 0.0000000 0.4545455 0.4000000), wk = 0.0011019 k( 76) = ( 0.0000000 0.4545455 0.4666667), wk = 0.0011019 k( 77) = ( 0.0000000 0.4545455 -0.4666667), wk = 0.0011019 k( 78) = ( 0.0000000 0.4545455 -0.4000000), wk = 0.0011019 k( 79) = ( 0.0000000 0.4545455 -0.3333333), wk = 0.0011019 k( 80) = ( 0.0000000 0.4545455 -0.2666667), wk = 0.0011019 k( 81) = ( 0.0000000 0.4545455 -0.2000000), wk = 0.0011019 k( 82) = ( 0.0000000 0.4545455 -0.1333333), wk = 0.0011019 k( 83) = ( 0.0000000 0.4545455 -0.0666667), wk = 0.0011019 k( 84) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0011019 k( 85) = ( 0.0909091 0.0000000 0.0666667), wk = 0.0011019 k( 86) = ( 0.0909091 0.0000000 0.1333333), wk = 0.0011019 k( 87) = ( 0.0909091 0.0000000 0.2000000), wk = 0.0011019 k( 88) = ( 0.0909091 0.0000000 0.2666667), wk = 0.0011019 k( 89) = ( 0.0909091 0.0000000 0.3333333), wk = 0.0011019 k( 90) = ( 0.0909091 0.0000000 0.4000000), wk = 0.0011019 k( 91) = ( 0.0909091 0.0000000 0.4666667), wk = 0.0011019 k( 92) = ( 0.0909091 0.0000000 -0.4666667), wk = 0.0011019 k( 93) = ( 0.0909091 0.0000000 -0.4000000), wk = 0.0011019 k( 94) = ( 0.0909091 0.0000000 -0.3333333), wk = 0.0011019 k( 95) = ( 0.0909091 0.0000000 -0.2666667), wk = 0.0011019 k( 96) = ( 0.0909091 0.0000000 -0.2000000), wk = 0.0011019 k( 97) = ( 0.0909091 0.0000000 -0.1333333), wk = 0.0011019 k( 98) = ( 0.0909091 0.0000000 -0.0666667), wk = 0.0011019 k( 99) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0011019 k( 100) = ( 0.0909091 0.0909091 0.0666667), wk = 0.0011019 k( 101) = ( 0.0909091 0.0909091 0.1333333), wk = 0.0011019 k( 102) = ( 0.0909091 0.0909091 0.2000000), wk = 0.0011019 k( 103) = ( 0.0909091 0.0909091 0.2666667), wk = 0.0011019 k( 104) = ( 0.0909091 0.0909091 0.3333333), wk = 0.0011019 k( 105) = ( 0.0909091 0.0909091 0.4000000), wk = 0.0011019 k( 106) = ( 0.0909091 0.0909091 0.4666667), wk = 0.0011019 k( 107) = ( 0.0909091 0.0909091 -0.4666667), wk = 0.0011019 k( 108) = ( 0.0909091 0.0909091 -0.4000000), wk = 0.0011019 k( 109) = ( 0.0909091 0.0909091 -0.3333333), wk = 0.0011019 k( 110) = ( 0.0909091 0.0909091 -0.2666667), wk = 0.0011019 k( 111) = ( 0.0909091 0.0909091 -0.2000000), wk = 0.0011019 k( 112) = ( 0.0909091 0.0909091 -0.1333333), wk = 0.0011019 k( 113) = ( 0.0909091 0.0909091 -0.0666667), wk = 0.0011019 k( 114) = ( 0.0909091 0.1818182 0.0000000), wk = 0.0011019 k( 115) = ( 0.0909091 0.1818182 0.0666667), wk = 0.0011019 k( 116) = ( 0.0909091 0.1818182 0.1333333), wk = 0.0011019 k( 117) = ( 0.0909091 0.1818182 0.2000000), wk = 0.0011019 k( 118) = ( 0.0909091 0.1818182 0.2666667), wk = 0.0011019 k( 119) = ( 0.0909091 0.1818182 0.3333333), wk = 0.0011019 k( 120) = ( 0.0909091 0.1818182 0.4000000), wk = 0.0011019 k( 121) = ( 0.0909091 0.1818182 0.4666667), wk = 0.0011019 k( 122) = ( 0.0909091 0.1818182 -0.4666667), wk = 0.0011019 k( 123) = ( 0.0909091 0.1818182 -0.4000000), wk = 0.0011019 k( 124) = ( 0.0909091 0.1818182 -0.3333333), wk = 0.0011019 k( 125) = ( 0.0909091 0.1818182 -0.2666667), wk = 0.0011019 k( 126) = ( 0.0909091 0.1818182 -0.2000000), wk = 0.0011019 k( 127) = ( 0.0909091 0.1818182 -0.1333333), wk = 0.0011019 k( 128) = ( 0.0909091 0.1818182 -0.0666667), wk = 0.0011019 k( 129) = ( 0.0909091 0.2727273 -0.0000000), wk = 0.0011019 k( 130) = ( 0.0909091 0.2727273 0.0666667), wk = 0.0011019 k( 131) = ( 0.0909091 0.2727273 0.1333333), wk = 0.0011019 k( 132) = ( 0.0909091 0.2727273 0.2000000), wk = 0.0011019 k( 133) = ( 0.0909091 0.2727273 0.2666667), wk = 0.0011019 k( 134) = ( 0.0909091 0.2727273 0.3333333), wk = 0.0011019 k( 135) = ( 0.0909091 0.2727273 0.4000000), wk = 0.0011019 k( 136) = ( 0.0909091 0.2727273 0.4666667), wk = 0.0011019 k( 137) = ( 0.0909091 0.2727273 -0.4666667), wk = 0.0011019 k( 138) = ( 0.0909091 0.2727273 -0.4000000), wk = 0.0011019 k( 139) = ( 0.0909091 0.2727273 -0.3333333), wk = 0.0011019 k( 140) = ( 0.0909091 0.2727273 -0.2666667), wk = 0.0011019 k( 141) = ( 0.0909091 0.2727273 -0.2000000), wk = 0.0011019 k( 142) = ( 0.0909091 0.2727273 -0.1333333), wk = 0.0011019 k( 143) = ( 0.0909091 0.2727273 -0.0666667), wk = 0.0011019 k( 144) = ( 0.0909091 0.3636364 0.0000000), wk = 0.0011019 k( 145) = ( 0.0909091 0.3636364 0.0666667), wk = 0.0011019 k( 146) = ( 0.0909091 0.3636364 0.1333333), wk = 0.0011019 k( 147) = ( 0.0909091 0.3636364 0.2000000), wk = 0.0011019 k( 148) = ( 0.0909091 0.3636364 0.2666667), wk = 0.0011019 k( 149) = ( 0.0909091 0.3636364 0.3333333), wk = 0.0011019 k( 150) = ( 0.0909091 0.3636364 0.4000000), wk = 0.0011019 k( 151) = ( 0.0909091 0.3636364 0.4666667), wk = 0.0011019 k( 152) = ( 0.0909091 0.3636364 -0.4666667), wk = 0.0011019 k( 153) = ( 0.0909091 0.3636364 -0.4000000), wk = 0.0011019 k( 154) = ( 0.0909091 0.3636364 -0.3333333), wk = 0.0011019 k( 155) = ( 0.0909091 0.3636364 -0.2666667), wk = 0.0011019 k( 156) = ( 0.0909091 0.3636364 -0.2000000), wk = 0.0011019 k( 157) = ( 0.0909091 0.3636364 -0.1333333), wk = 0.0011019 k( 158) = ( 0.0909091 0.3636364 -0.0666667), wk = 0.0011019 k( 159) = ( 0.0909091 0.4545455 -0.0000000), wk = 0.0011019 k( 160) = ( 0.0909091 0.4545455 0.0666667), wk = 0.0011019 k( 161) = ( 0.0909091 0.4545455 0.1333333), wk = 0.0011019 k( 162) = ( 0.0909091 0.4545455 0.2000000), wk = 0.0011019 k( 163) = ( 0.0909091 0.4545455 0.2666667), wk = 0.0011019 k( 164) = ( 0.0909091 0.4545455 0.3333333), wk = 0.0011019 k( 165) = ( 0.0909091 0.4545455 0.4000000), wk = 0.0011019 k( 166) = ( 0.0909091 0.4545455 0.4666667), wk = 0.0011019 k( 167) = ( 0.0909091 0.4545455 -0.4666667), wk = 0.0011019 k( 168) = ( 0.0909091 0.4545455 -0.4000000), wk = 0.0011019 k( 169) = ( 0.0909091 0.4545455 -0.3333333), wk = 0.0011019 k( 170) = ( 0.0909091 0.4545455 -0.2666667), wk = 0.0011019 k( 171) = ( 0.0909091 0.4545455 -0.2000000), wk = 0.0011019 k( 172) = ( 0.0909091 0.4545455 -0.1333333), wk = 0.0011019 k( 173) = ( 0.0909091 0.4545455 -0.0666667), wk = 0.0011019 k( 174) = ( 0.0909091 -0.4545455 0.0000000), wk = 0.0011019 k( 175) = ( 0.0909091 -0.4545455 0.0666667), wk = 0.0011019 k( 176) = ( 0.0909091 -0.4545455 0.1333333), wk = 0.0011019 k( 177) = ( 0.0909091 -0.4545455 0.2000000), wk = 0.0011019 k( 178) = ( 0.0909091 -0.4545455 0.2666667), wk = 0.0011019 k( 179) = ( 0.0909091 -0.4545455 0.3333333), wk = 0.0011019 k( 180) = ( 0.0909091 -0.4545455 0.4000000), wk = 0.0011019 k( 181) = ( 0.0909091 -0.4545455 0.4666667), wk = 0.0011019 k( 182) = ( 0.0909091 -0.4545455 -0.4666667), wk = 0.0011019 k( 183) = ( 0.0909091 -0.4545455 -0.4000000), wk = 0.0011019 k( 184) = ( 0.0909091 -0.4545455 -0.3333333), wk = 0.0011019 k( 185) = ( 0.0909091 -0.4545455 -0.2666667), wk = 0.0011019 k( 186) = ( 0.0909091 -0.4545455 -0.2000000), wk = 0.0011019 k( 187) = ( 0.0909091 -0.4545455 -0.1333333), wk = 0.0011019 k( 188) = ( 0.0909091 -0.4545455 -0.0666667), wk = 0.0011019 k( 189) = ( 0.0909091 -0.3636364 0.0000000), wk = 0.0011019 k( 190) = ( 0.0909091 -0.3636364 0.0666667), wk = 0.0011019 k( 191) = ( 0.0909091 -0.3636364 0.1333333), wk = 0.0011019 k( 192) = ( 0.0909091 -0.3636364 0.2000000), wk = 0.0011019 k( 193) = ( 0.0909091 -0.3636364 0.2666667), wk = 0.0011019 k( 194) = ( 0.0909091 -0.3636364 0.3333333), wk = 0.0011019 k( 195) = ( 0.0909091 -0.3636364 0.4000000), wk = 0.0011019 k( 196) = ( 0.0909091 -0.3636364 0.4666667), wk = 0.0011019 k( 197) = ( 0.0909091 -0.3636364 -0.4666667), wk = 0.0011019 k( 198) = ( 0.0909091 -0.3636364 -0.4000000), wk = 0.0011019 k( 199) = ( 0.0909091 -0.3636364 -0.3333333), wk = 0.0011019 k( 200) = ( 0.0909091 -0.3636364 -0.2666667), wk = 0.0011019 k( 201) = ( 0.0909091 -0.3636364 -0.2000000), wk = 0.0011019 k( 202) = ( 0.0909091 -0.3636364 -0.1333333), wk = 0.0011019 k( 203) = ( 0.0909091 -0.3636364 -0.0666667), wk = 0.0011019 k( 204) = ( 0.0909091 -0.2727273 0.0000000), wk = 0.0011019 k( 205) = ( 0.0909091 -0.2727273 0.0666667), wk = 0.0011019 k( 206) = ( 0.0909091 -0.2727273 0.1333333), wk = 0.0011019 k( 207) = ( 0.0909091 -0.2727273 0.2000000), wk = 0.0011019 k( 208) = ( 0.0909091 -0.2727273 0.2666667), wk = 0.0011019 k( 209) = ( 0.0909091 -0.2727273 0.3333333), wk = 0.0011019 k( 210) = ( 0.0909091 -0.2727273 0.4000000), wk = 0.0011019 k( 211) = ( 0.0909091 -0.2727273 0.4666667), wk = 0.0011019 k( 212) = ( 0.0909091 -0.2727273 -0.4666667), wk = 0.0011019 k( 213) = ( 0.0909091 -0.2727273 -0.4000000), wk = 0.0011019 k( 214) = ( 0.0909091 -0.2727273 -0.3333333), wk = 0.0011019 k( 215) = ( 0.0909091 -0.2727273 -0.2666667), wk = 0.0011019 k( 216) = ( 0.0909091 -0.2727273 -0.2000000), wk = 0.0011019 k( 217) = ( 0.0909091 -0.2727273 -0.1333333), wk = 0.0011019 k( 218) = ( 0.0909091 -0.2727273 -0.0666667), wk = 0.0011019 k( 219) = ( 0.0909091 -0.1818182 0.0000000), wk = 0.0011019 k( 220) = ( 0.0909091 -0.1818182 0.0666667), wk = 0.0011019 k( 221) = ( 0.0909091 -0.1818182 0.1333333), wk = 0.0011019 k( 222) = ( 0.0909091 -0.1818182 0.2000000), wk = 0.0011019 k( 223) = ( 0.0909091 -0.1818182 0.2666667), wk = 0.0011019 k( 224) = ( 0.0909091 -0.1818182 0.3333333), wk = 0.0011019 k( 225) = ( 0.0909091 -0.1818182 0.4000000), wk = 0.0011019 k( 226) = ( 0.0909091 -0.1818182 0.4666667), wk = 0.0011019 k( 227) = ( 0.0909091 -0.1818182 -0.4666667), wk = 0.0011019 k( 228) = ( 0.0909091 -0.1818182 -0.4000000), wk = 0.0011019 k( 229) = ( 0.0909091 -0.1818182 -0.3333333), wk = 0.0011019 k( 230) = ( 0.0909091 -0.1818182 -0.2666667), wk = 0.0011019 k( 231) = ( 0.0909091 -0.1818182 -0.2000000), wk = 0.0011019 k( 232) = ( 0.0909091 -0.1818182 -0.1333333), wk = 0.0011019 k( 233) = ( 0.0909091 -0.1818182 -0.0666667), wk = 0.0011019 k( 234) = ( 0.0909091 -0.0909091 0.0000000), wk = 0.0011019 k( 235) = ( 0.0909091 -0.0909091 0.0666667), wk = 0.0022039 k( 236) = ( 0.0909091 -0.0909091 0.1333333), wk = 0.0022039 k( 237) = ( 0.0909091 -0.0909091 0.2000000), wk = 0.0022039 k( 238) = ( 0.0909091 -0.0909091 0.2666667), wk = 0.0022039 k( 239) = ( 0.0909091 -0.0909091 0.3333333), wk = 0.0022039 k( 240) = ( 0.0909091 -0.0909091 0.4000000), wk = 0.0022039 k( 241) = ( 0.0909091 -0.0909091 0.4666667), wk = 0.0022039 k( 242) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0011019 k( 243) = ( 0.1818182 0.0000000 0.0666667), wk = 0.0011019 k( 244) = ( 0.1818182 0.0000000 0.1333333), wk = 0.0011019 k( 245) = ( 0.1818182 0.0000000 0.2000000), wk = 0.0011019 k( 246) = ( 0.1818182 0.0000000 0.2666667), wk = 0.0011019 k( 247) = ( 0.1818182 0.0000000 0.3333333), wk = 0.0011019 k( 248) = ( 0.1818182 0.0000000 0.4000000), wk = 0.0011019 k( 249) = ( 0.1818182 0.0000000 0.4666667), wk = 0.0011019 k( 250) = ( 0.1818182 0.0000000 -0.4666667), wk = 0.0011019 k( 251) = ( 0.1818182 0.0000000 -0.4000000), wk = 0.0011019 k( 252) = ( 0.1818182 0.0000000 -0.3333333), wk = 0.0011019 k( 253) = ( 0.1818182 0.0000000 -0.2666667), wk = 0.0011019 k( 254) = ( 0.1818182 0.0000000 -0.2000000), wk = 0.0011019 k( 255) = ( 0.1818182 0.0000000 -0.1333333), wk = 0.0011019 k( 256) = ( 0.1818182 0.0000000 -0.0666667), wk = 0.0011019 k( 257) = ( 0.1818182 0.0909091 0.0000000), wk = 0.0011019 k( 258) = ( 0.1818182 0.0909091 0.0666667), wk = 0.0011019 k( 259) = ( 0.1818182 0.0909091 0.1333333), wk = 0.0011019 k( 260) = ( 0.1818182 0.0909091 0.2000000), wk = 0.0011019 k( 261) = ( 0.1818182 0.0909091 0.2666667), wk = 0.0011019 k( 262) = ( 0.1818182 0.0909091 0.3333333), wk = 0.0011019 k( 263) = ( 0.1818182 0.0909091 0.4000000), wk = 0.0011019 k( 264) = ( 0.1818182 0.0909091 0.4666667), wk = 0.0011019 k( 265) = ( 0.1818182 0.0909091 -0.4666667), wk = 0.0011019 k( 266) = ( 0.1818182 0.0909091 -0.4000000), wk = 0.0011019 k( 267) = ( 0.1818182 0.0909091 -0.3333333), wk = 0.0011019 k( 268) = ( 0.1818182 0.0909091 -0.2666667), wk = 0.0011019 k( 269) = ( 0.1818182 0.0909091 -0.2000000), wk = 0.0011019 k( 270) = ( 0.1818182 0.0909091 -0.1333333), wk = 0.0011019 k( 271) = ( 0.1818182 0.0909091 -0.0666667), wk = 0.0011019 k( 272) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0011019 k( 273) = ( 0.1818182 0.1818182 0.0666667), wk = 0.0011019 k( 274) = ( 0.1818182 0.1818182 0.1333333), wk = 0.0011019 k( 275) = ( 0.1818182 0.1818182 0.2000000), wk = 0.0011019 k( 276) = ( 0.1818182 0.1818182 0.2666667), wk = 0.0011019 k( 277) = ( 0.1818182 0.1818182 0.3333333), wk = 0.0011019 k( 278) = ( 0.1818182 0.1818182 0.4000000), wk = 0.0011019 k( 279) = ( 0.1818182 0.1818182 0.4666667), wk = 0.0011019 k( 280) = ( 0.1818182 0.1818182 -0.4666667), wk = 0.0011019 k( 281) = ( 0.1818182 0.1818182 -0.4000000), wk = 0.0011019 k( 282) = ( 0.1818182 0.1818182 -0.3333333), wk = 0.0011019 k( 283) = ( 0.1818182 0.1818182 -0.2666667), wk = 0.0011019 k( 284) = ( 0.1818182 0.1818182 -0.2000000), wk = 0.0011019 k( 285) = ( 0.1818182 0.1818182 -0.1333333), wk = 0.0011019 k( 286) = ( 0.1818182 0.1818182 -0.0666667), wk = 0.0011019 k( 287) = ( 0.1818182 0.2727273 -0.0000000), wk = 0.0011019 k( 288) = ( 0.1818182 0.2727273 0.0666667), wk = 0.0011019 k( 289) = ( 0.1818182 0.2727273 0.1333333), wk = 0.0011019 k( 290) = ( 0.1818182 0.2727273 0.2000000), wk = 0.0011019 k( 291) = ( 0.1818182 0.2727273 0.2666667), wk = 0.0011019 k( 292) = ( 0.1818182 0.2727273 0.3333333), wk = 0.0011019 k( 293) = ( 0.1818182 0.2727273 0.4000000), wk = 0.0011019 k( 294) = ( 0.1818182 0.2727273 0.4666667), wk = 0.0011019 k( 295) = ( 0.1818182 0.2727273 -0.4666667), wk = 0.0011019 k( 296) = ( 0.1818182 0.2727273 -0.4000000), wk = 0.0011019 k( 297) = ( 0.1818182 0.2727273 -0.3333333), wk = 0.0011019 k( 298) = ( 0.1818182 0.2727273 -0.2666667), wk = 0.0011019 k( 299) = ( 0.1818182 0.2727273 -0.2000000), wk = 0.0011019 k( 300) = ( 0.1818182 0.2727273 -0.1333333), wk = 0.0011019 k( 301) = ( 0.1818182 0.2727273 -0.0666667), wk = 0.0011019 k( 302) = ( 0.1818182 0.3636364 0.0000000), wk = 0.0011019 k( 303) = ( 0.1818182 0.3636364 0.0666667), wk = 0.0011019 k( 304) = ( 0.1818182 0.3636364 0.1333333), wk = 0.0011019 k( 305) = ( 0.1818182 0.3636364 0.2000000), wk = 0.0011019 k( 306) = ( 0.1818182 0.3636364 0.2666667), wk = 0.0011019 k( 307) = ( 0.1818182 0.3636364 0.3333333), wk = 0.0011019 k( 308) = ( 0.1818182 0.3636364 0.4000000), wk = 0.0011019 k( 309) = ( 0.1818182 0.3636364 0.4666667), wk = 0.0011019 k( 310) = ( 0.1818182 0.3636364 -0.4666667), wk = 0.0011019 k( 311) = ( 0.1818182 0.3636364 -0.4000000), wk = 0.0011019 k( 312) = ( 0.1818182 0.3636364 -0.3333333), wk = 0.0011019 k( 313) = ( 0.1818182 0.3636364 -0.2666667), wk = 0.0011019 k( 314) = ( 0.1818182 0.3636364 -0.2000000), wk = 0.0011019 k( 315) = ( 0.1818182 0.3636364 -0.1333333), wk = 0.0011019 k( 316) = ( 0.1818182 0.3636364 -0.0666667), wk = 0.0011019 k( 317) = ( 0.1818182 0.4545455 -0.0000000), wk = 0.0011019 k( 318) = ( 0.1818182 0.4545455 0.0666667), wk = 0.0011019 k( 319) = ( 0.1818182 0.4545455 0.1333333), wk = 0.0011019 k( 320) = ( 0.1818182 0.4545455 0.2000000), wk = 0.0011019 k( 321) = ( 0.1818182 0.4545455 0.2666667), wk = 0.0011019 k( 322) = ( 0.1818182 0.4545455 0.3333333), wk = 0.0011019 k( 323) = ( 0.1818182 0.4545455 0.4000000), wk = 0.0011019 k( 324) = ( 0.1818182 0.4545455 0.4666667), wk = 0.0011019 k( 325) = ( 0.1818182 0.4545455 -0.4666667), wk = 0.0011019 k( 326) = ( 0.1818182 0.4545455 -0.4000000), wk = 0.0011019 k( 327) = ( 0.1818182 0.4545455 -0.3333333), wk = 0.0011019 k( 328) = ( 0.1818182 0.4545455 -0.2666667), wk = 0.0011019 k( 329) = ( 0.1818182 0.4545455 -0.2000000), wk = 0.0011019 k( 330) = ( 0.1818182 0.4545455 -0.1333333), wk = 0.0011019 k( 331) = ( 0.1818182 0.4545455 -0.0666667), wk = 0.0011019 k( 332) = ( 0.1818182 -0.4545455 0.0000000), wk = 0.0011019 k( 333) = ( 0.1818182 -0.4545455 0.0666667), wk = 0.0011019 k( 334) = ( 0.1818182 -0.4545455 0.1333333), wk = 0.0011019 k( 335) = ( 0.1818182 -0.4545455 0.2000000), wk = 0.0011019 k( 336) = ( 0.1818182 -0.4545455 0.2666667), wk = 0.0011019 k( 337) = ( 0.1818182 -0.4545455 0.3333333), wk = 0.0011019 k( 338) = ( 0.1818182 -0.4545455 0.4000000), wk = 0.0011019 k( 339) = ( 0.1818182 -0.4545455 0.4666667), wk = 0.0011019 k( 340) = ( 0.1818182 -0.4545455 -0.4666667), wk = 0.0011019 k( 341) = ( 0.1818182 -0.4545455 -0.4000000), wk = 0.0011019 k( 342) = ( 0.1818182 -0.4545455 -0.3333333), wk = 0.0011019 k( 343) = ( 0.1818182 -0.4545455 -0.2666667), wk = 0.0011019 k( 344) = ( 0.1818182 -0.4545455 -0.2000000), wk = 0.0011019 k( 345) = ( 0.1818182 -0.4545455 -0.1333333), wk = 0.0011019 k( 346) = ( 0.1818182 -0.4545455 -0.0666667), wk = 0.0011019 k( 347) = ( 0.1818182 -0.3636364 0.0000000), wk = 0.0011019 k( 348) = ( 0.1818182 -0.3636364 0.0666667), wk = 0.0011019 k( 349) = ( 0.1818182 -0.3636364 0.1333333), wk = 0.0011019 k( 350) = ( 0.1818182 -0.3636364 0.2000000), wk = 0.0011019 k( 351) = ( 0.1818182 -0.3636364 0.2666667), wk = 0.0011019 k( 352) = ( 0.1818182 -0.3636364 0.3333333), wk = 0.0011019 k( 353) = ( 0.1818182 -0.3636364 0.4000000), wk = 0.0011019 k( 354) = ( 0.1818182 -0.3636364 0.4666667), wk = 0.0011019 k( 355) = ( 0.1818182 -0.3636364 -0.4666667), wk = 0.0011019 k( 356) = ( 0.1818182 -0.3636364 -0.4000000), wk = 0.0011019 k( 357) = ( 0.1818182 -0.3636364 -0.3333333), wk = 0.0011019 k( 358) = ( 0.1818182 -0.3636364 -0.2666667), wk = 0.0011019 k( 359) = ( 0.1818182 -0.3636364 -0.2000000), wk = 0.0011019 k( 360) = ( 0.1818182 -0.3636364 -0.1333333), wk = 0.0011019 k( 361) = ( 0.1818182 -0.3636364 -0.0666667), wk = 0.0011019 k( 362) = ( 0.1818182 -0.2727273 0.0000000), wk = 0.0011019 k( 363) = ( 0.1818182 -0.2727273 0.0666667), wk = 0.0011019 k( 364) = ( 0.1818182 -0.2727273 0.1333333), wk = 0.0011019 k( 365) = ( 0.1818182 -0.2727273 0.2000000), wk = 0.0011019 k( 366) = ( 0.1818182 -0.2727273 0.2666667), wk = 0.0011019 k( 367) = ( 0.1818182 -0.2727273 0.3333333), wk = 0.0011019 k( 368) = ( 0.1818182 -0.2727273 0.4000000), wk = 0.0011019 k( 369) = ( 0.1818182 -0.2727273 0.4666667), wk = 0.0011019 k( 370) = ( 0.1818182 -0.2727273 -0.4666667), wk = 0.0011019 k( 371) = ( 0.1818182 -0.2727273 -0.4000000), wk = 0.0011019 k( 372) = ( 0.1818182 -0.2727273 -0.3333333), wk = 0.0011019 k( 373) = ( 0.1818182 -0.2727273 -0.2666667), wk = 0.0011019 k( 374) = ( 0.1818182 -0.2727273 -0.2000000), wk = 0.0011019 k( 375) = ( 0.1818182 -0.2727273 -0.1333333), wk = 0.0011019 k( 376) = ( 0.1818182 -0.2727273 -0.0666667), wk = 0.0011019 k( 377) = ( 0.1818182 -0.1818182 0.0000000), wk = 0.0011019 k( 378) = ( 0.1818182 -0.1818182 0.0666667), wk = 0.0022039 k( 379) = ( 0.1818182 -0.1818182 0.1333333), wk = 0.0022039 k( 380) = ( 0.1818182 -0.1818182 0.2000000), wk = 0.0022039 k( 381) = ( 0.1818182 -0.1818182 0.2666667), wk = 0.0022039 k( 382) = ( 0.1818182 -0.1818182 0.3333333), wk = 0.0022039 k( 383) = ( 0.1818182 -0.1818182 0.4000000), wk = 0.0022039 k( 384) = ( 0.1818182 -0.1818182 0.4666667), wk = 0.0022039 k( 385) = ( 0.1818182 -0.0909091 0.0000000), wk = 0.0011019 k( 386) = ( 0.1818182 -0.0909091 0.0666667), wk = 0.0011019 k( 387) = ( 0.1818182 -0.0909091 0.1333333), wk = 0.0011019 k( 388) = ( 0.1818182 -0.0909091 0.2000000), wk = 0.0011019 k( 389) = ( 0.1818182 -0.0909091 0.2666667), wk = 0.0011019 k( 390) = ( 0.1818182 -0.0909091 0.3333333), wk = 0.0011019 k( 391) = ( 0.1818182 -0.0909091 0.4000000), wk = 0.0011019 k( 392) = ( 0.1818182 -0.0909091 0.4666667), wk = 0.0011019 k( 393) = ( 0.1818182 -0.0909091 -0.4666667), wk = 0.0011019 k( 394) = ( 0.1818182 -0.0909091 -0.4000000), wk = 0.0011019 k( 395) = ( 0.1818182 -0.0909091 -0.3333333), wk = 0.0011019 k( 396) = ( 0.1818182 -0.0909091 -0.2666667), wk = 0.0011019 k( 397) = ( 0.1818182 -0.0909091 -0.2000000), wk = 0.0011019 k( 398) = ( 0.1818182 -0.0909091 -0.1333333), wk = 0.0011019 k( 399) = ( 0.1818182 -0.0909091 -0.0666667), wk = 0.0011019 k( 400) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0011019 k( 401) = ( 0.2727273 0.0000000 0.0666667), wk = 0.0011019 k( 402) = ( 0.2727273 0.0000000 0.1333333), wk = 0.0011019 k( 403) = ( 0.2727273 0.0000000 0.2000000), wk = 0.0011019 k( 404) = ( 0.2727273 0.0000000 0.2666667), wk = 0.0011019 k( 405) = ( 0.2727273 0.0000000 0.3333333), wk = 0.0011019 k( 406) = ( 0.2727273 0.0000000 0.4000000), wk = 0.0011019 k( 407) = ( 0.2727273 0.0000000 0.4666667), wk = 0.0011019 k( 408) = ( 0.2727273 0.0000000 -0.4666667), wk = 0.0011019 k( 409) = ( 0.2727273 0.0000000 -0.4000000), wk = 0.0011019 k( 410) = ( 0.2727273 0.0000000 -0.3333333), wk = 0.0011019 k( 411) = ( 0.2727273 0.0000000 -0.2666667), wk = 0.0011019 k( 412) = ( 0.2727273 0.0000000 -0.2000000), wk = 0.0011019 k( 413) = ( 0.2727273 0.0000000 -0.1333333), wk = 0.0011019 k( 414) = ( 0.2727273 0.0000000 -0.0666667), wk = 0.0011019 k( 415) = ( 0.2727273 0.0909091 -0.0000000), wk = 0.0011019 k( 416) = ( 0.2727273 0.0909091 0.0666667), wk = 0.0011019 k( 417) = ( 0.2727273 0.0909091 0.1333333), wk = 0.0011019 k( 418) = ( 0.2727273 0.0909091 0.2000000), wk = 0.0011019 k( 419) = ( 0.2727273 0.0909091 0.2666667), wk = 0.0011019 k( 420) = ( 0.2727273 0.0909091 0.3333333), wk = 0.0011019 k( 421) = ( 0.2727273 0.0909091 0.4000000), wk = 0.0011019 k( 422) = ( 0.2727273 0.0909091 0.4666667), wk = 0.0011019 k( 423) = ( 0.2727273 0.0909091 -0.4666667), wk = 0.0011019 k( 424) = ( 0.2727273 0.0909091 -0.4000000), wk = 0.0011019 k( 425) = ( 0.2727273 0.0909091 -0.3333333), wk = 0.0011019 k( 426) = ( 0.2727273 0.0909091 -0.2666667), wk = 0.0011019 k( 427) = ( 0.2727273 0.0909091 -0.2000000), wk = 0.0011019 k( 428) = ( 0.2727273 0.0909091 -0.1333333), wk = 0.0011019 k( 429) = ( 0.2727273 0.0909091 -0.0666667), wk = 0.0011019 k( 430) = ( 0.2727273 0.1818182 -0.0000000), wk = 0.0011019 k( 431) = ( 0.2727273 0.1818182 0.0666667), wk = 0.0011019 k( 432) = ( 0.2727273 0.1818182 0.1333333), wk = 0.0011019 k( 433) = ( 0.2727273 0.1818182 0.2000000), wk = 0.0011019 k( 434) = ( 0.2727273 0.1818182 0.2666667), wk = 0.0011019 k( 435) = ( 0.2727273 0.1818182 0.3333333), wk = 0.0011019 k( 436) = ( 0.2727273 0.1818182 0.4000000), wk = 0.0011019 k( 437) = ( 0.2727273 0.1818182 0.4666667), wk = 0.0011019 k( 438) = ( 0.2727273 0.1818182 -0.4666667), wk = 0.0011019 k( 439) = ( 0.2727273 0.1818182 -0.4000000), wk = 0.0011019 k( 440) = ( 0.2727273 0.1818182 -0.3333333), wk = 0.0011019 k( 441) = ( 0.2727273 0.1818182 -0.2666667), wk = 0.0011019 k( 442) = ( 0.2727273 0.1818182 -0.2000000), wk = 0.0011019 k( 443) = ( 0.2727273 0.1818182 -0.1333333), wk = 0.0011019 k( 444) = ( 0.2727273 0.1818182 -0.0666667), wk = 0.0011019 k( 445) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0011019 k( 446) = ( 0.2727273 0.2727273 0.0666667), wk = 0.0011019 k( 447) = ( 0.2727273 0.2727273 0.1333333), wk = 0.0011019 k( 448) = ( 0.2727273 0.2727273 0.2000000), wk = 0.0011019 k( 449) = ( 0.2727273 0.2727273 0.2666667), wk = 0.0011019 k( 450) = ( 0.2727273 0.2727273 0.3333333), wk = 0.0011019 k( 451) = ( 0.2727273 0.2727273 0.4000000), wk = 0.0011019 k( 452) = ( 0.2727273 0.2727273 0.4666667), wk = 0.0011019 k( 453) = ( 0.2727273 0.2727273 -0.4666667), wk = 0.0011019 k( 454) = ( 0.2727273 0.2727273 -0.4000000), wk = 0.0011019 k( 455) = ( 0.2727273 0.2727273 -0.3333333), wk = 0.0011019 k( 456) = ( 0.2727273 0.2727273 -0.2666667), wk = 0.0011019 k( 457) = ( 0.2727273 0.2727273 -0.2000000), wk = 0.0011019 k( 458) = ( 0.2727273 0.2727273 -0.1333333), wk = 0.0011019 k( 459) = ( 0.2727273 0.2727273 -0.0666667), wk = 0.0011019 k( 460) = ( 0.2727273 0.3636364 -0.0000000), wk = 0.0011019 k( 461) = ( 0.2727273 0.3636364 0.0666667), wk = 0.0011019 k( 462) = ( 0.2727273 0.3636364 0.1333333), wk = 0.0011019 k( 463) = ( 0.2727273 0.3636364 0.2000000), wk = 0.0011019 k( 464) = ( 0.2727273 0.3636364 0.2666667), wk = 0.0011019 k( 465) = ( 0.2727273 0.3636364 0.3333333), wk = 0.0011019 k( 466) = ( 0.2727273 0.3636364 0.4000000), wk = 0.0011019 k( 467) = ( 0.2727273 0.3636364 0.4666667), wk = 0.0011019 k( 468) = ( 0.2727273 0.3636364 -0.4666667), wk = 0.0011019 k( 469) = ( 0.2727273 0.3636364 -0.4000000), wk = 0.0011019 k( 470) = ( 0.2727273 0.3636364 -0.3333333), wk = 0.0011019 k( 471) = ( 0.2727273 0.3636364 -0.2666667), wk = 0.0011019 k( 472) = ( 0.2727273 0.3636364 -0.2000000), wk = 0.0011019 k( 473) = ( 0.2727273 0.3636364 -0.1333333), wk = 0.0011019 k( 474) = ( 0.2727273 0.3636364 -0.0666667), wk = 0.0011019 k( 475) = ( 0.2727273 0.4545455 -0.0000000), wk = 0.0011019 k( 476) = ( 0.2727273 0.4545455 0.0666667), wk = 0.0011019 k( 477) = ( 0.2727273 0.4545455 0.1333333), wk = 0.0011019 k( 478) = ( 0.2727273 0.4545455 0.2000000), wk = 0.0011019 k( 479) = ( 0.2727273 0.4545455 0.2666667), wk = 0.0011019 k( 480) = ( 0.2727273 0.4545455 0.3333333), wk = 0.0011019 k( 481) = ( 0.2727273 0.4545455 0.4000000), wk = 0.0011019 k( 482) = ( 0.2727273 0.4545455 0.4666667), wk = 0.0011019 k( 483) = ( 0.2727273 0.4545455 -0.4666667), wk = 0.0011019 k( 484) = ( 0.2727273 0.4545455 -0.4000000), wk = 0.0011019 k( 485) = ( 0.2727273 0.4545455 -0.3333333), wk = 0.0011019 k( 486) = ( 0.2727273 0.4545455 -0.2666667), wk = 0.0011019 k( 487) = ( 0.2727273 0.4545455 -0.2000000), wk = 0.0011019 k( 488) = ( 0.2727273 0.4545455 -0.1333333), wk = 0.0011019 k( 489) = ( 0.2727273 0.4545455 -0.0666667), wk = 0.0011019 k( 490) = ( 0.2727273 -0.4545455 0.0000000), wk = 0.0011019 k( 491) = ( 0.2727273 -0.4545455 0.0666667), wk = 0.0011019 k( 492) = ( 0.2727273 -0.4545455 0.1333333), wk = 0.0011019 k( 493) = ( 0.2727273 -0.4545455 0.2000000), wk = 0.0011019 k( 494) = ( 0.2727273 -0.4545455 0.2666667), wk = 0.0011019 k( 495) = ( 0.2727273 -0.4545455 0.3333333), wk = 0.0011019 k( 496) = ( 0.2727273 -0.4545455 0.4000000), wk = 0.0011019 k( 497) = ( 0.2727273 -0.4545455 0.4666667), wk = 0.0011019 k( 498) = ( 0.2727273 -0.4545455 -0.4666667), wk = 0.0011019 k( 499) = ( 0.2727273 -0.4545455 -0.4000000), wk = 0.0011019 k( 500) = ( 0.2727273 -0.4545455 -0.3333333), wk = 0.0011019 k( 501) = ( 0.2727273 -0.4545455 -0.2666667), wk = 0.0011019 k( 502) = ( 0.2727273 -0.4545455 -0.2000000), wk = 0.0011019 k( 503) = ( 0.2727273 -0.4545455 -0.1333333), wk = 0.0011019 k( 504) = ( 0.2727273 -0.4545455 -0.0666667), wk = 0.0011019 k( 505) = ( 0.2727273 -0.3636364 0.0000000), wk = 0.0011019 k( 506) = ( 0.2727273 -0.3636364 0.0666667), wk = 0.0011019 k( 507) = ( 0.2727273 -0.3636364 0.1333333), wk = 0.0011019 k( 508) = ( 0.2727273 -0.3636364 0.2000000), wk = 0.0011019 k( 509) = ( 0.2727273 -0.3636364 0.2666667), wk = 0.0011019 k( 510) = ( 0.2727273 -0.3636364 0.3333333), wk = 0.0011019 k( 511) = ( 0.2727273 -0.3636364 0.4000000), wk = 0.0011019 k( 512) = ( 0.2727273 -0.3636364 0.4666667), wk = 0.0011019 k( 513) = ( 0.2727273 -0.3636364 -0.4666667), wk = 0.0011019 k( 514) = ( 0.2727273 -0.3636364 -0.4000000), wk = 0.0011019 k( 515) = ( 0.2727273 -0.3636364 -0.3333333), wk = 0.0011019 k( 516) = ( 0.2727273 -0.3636364 -0.2666667), wk = 0.0011019 k( 517) = ( 0.2727273 -0.3636364 -0.2000000), wk = 0.0011019 k( 518) = ( 0.2727273 -0.3636364 -0.1333333), wk = 0.0011019 k( 519) = ( 0.2727273 -0.3636364 -0.0666667), wk = 0.0011019 k( 520) = ( 0.2727273 -0.2727273 0.0000000), wk = 0.0011019 k( 521) = ( 0.2727273 -0.2727273 0.0666667), wk = 0.0022039 k( 522) = ( 0.2727273 -0.2727273 0.1333333), wk = 0.0022039 k( 523) = ( 0.2727273 -0.2727273 0.2000000), wk = 0.0022039 k( 524) = ( 0.2727273 -0.2727273 0.2666667), wk = 0.0022039 k( 525) = ( 0.2727273 -0.2727273 0.3333333), wk = 0.0022039 k( 526) = ( 0.2727273 -0.2727273 0.4000000), wk = 0.0022039 k( 527) = ( 0.2727273 -0.2727273 0.4666667), wk = 0.0022039 k( 528) = ( 0.2727273 -0.1818182 -0.0000000), wk = 0.0011019 k( 529) = ( 0.2727273 -0.1818182 0.0666667), wk = 0.0011019 k( 530) = ( 0.2727273 -0.1818182 0.1333333), wk = 0.0011019 k( 531) = ( 0.2727273 -0.1818182 0.2000000), wk = 0.0011019 k( 532) = ( 0.2727273 -0.1818182 0.2666667), wk = 0.0011019 k( 533) = ( 0.2727273 -0.1818182 0.3333333), wk = 0.0011019 k( 534) = ( 0.2727273 -0.1818182 0.4000000), wk = 0.0011019 k( 535) = ( 0.2727273 -0.1818182 0.4666667), wk = 0.0011019 k( 536) = ( 0.2727273 -0.1818182 -0.4666667), wk = 0.0011019 k( 537) = ( 0.2727273 -0.1818182 -0.4000000), wk = 0.0011019 k( 538) = ( 0.2727273 -0.1818182 -0.3333333), wk = 0.0011019 k( 539) = ( 0.2727273 -0.1818182 -0.2666667), wk = 0.0011019 k( 540) = ( 0.2727273 -0.1818182 -0.2000000), wk = 0.0011019 k( 541) = ( 0.2727273 -0.1818182 -0.1333333), wk = 0.0011019 k( 542) = ( 0.2727273 -0.1818182 -0.0666667), wk = 0.0011019 k( 543) = ( 0.2727273 -0.0909091 -0.0000000), wk = 0.0011019 k( 544) = ( 0.2727273 -0.0909091 0.0666667), wk = 0.0011019 k( 545) = ( 0.2727273 -0.0909091 0.1333333), wk = 0.0011019 k( 546) = ( 0.2727273 -0.0909091 0.2000000), wk = 0.0011019 k( 547) = ( 0.2727273 -0.0909091 0.2666667), wk = 0.0011019 k( 548) = ( 0.2727273 -0.0909091 0.3333333), wk = 0.0011019 k( 549) = ( 0.2727273 -0.0909091 0.4000000), wk = 0.0011019 k( 550) = ( 0.2727273 -0.0909091 0.4666667), wk = 0.0011019 k( 551) = ( 0.2727273 -0.0909091 -0.4666667), wk = 0.0011019 k( 552) = ( 0.2727273 -0.0909091 -0.4000000), wk = 0.0011019 k( 553) = ( 0.2727273 -0.0909091 -0.3333333), wk = 0.0011019 k( 554) = ( 0.2727273 -0.0909091 -0.2666667), wk = 0.0011019 k( 555) = ( 0.2727273 -0.0909091 -0.2000000), wk = 0.0011019 k( 556) = ( 0.2727273 -0.0909091 -0.1333333), wk = 0.0011019 k( 557) = ( 0.2727273 -0.0909091 -0.0666667), wk = 0.0011019 k( 558) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0011019 k( 559) = ( 0.3636364 0.0000000 0.0666667), wk = 0.0011019 k( 560) = ( 0.3636364 0.0000000 0.1333333), wk = 0.0011019 k( 561) = ( 0.3636364 0.0000000 0.2000000), wk = 0.0011019 k( 562) = ( 0.3636364 0.0000000 0.2666667), wk = 0.0011019 k( 563) = ( 0.3636364 0.0000000 0.3333333), wk = 0.0011019 k( 564) = ( 0.3636364 0.0000000 0.4000000), wk = 0.0011019 k( 565) = ( 0.3636364 0.0000000 0.4666667), wk = 0.0011019 k( 566) = ( 0.3636364 0.0000000 -0.4666667), wk = 0.0011019 k( 567) = ( 0.3636364 0.0000000 -0.4000000), wk = 0.0011019 k( 568) = ( 0.3636364 0.0000000 -0.3333333), wk = 0.0011019 k( 569) = ( 0.3636364 0.0000000 -0.2666667), wk = 0.0011019 k( 570) = ( 0.3636364 0.0000000 -0.2000000), wk = 0.0011019 k( 571) = ( 0.3636364 0.0000000 -0.1333333), wk = 0.0011019 k( 572) = ( 0.3636364 0.0000000 -0.0666667), wk = 0.0011019 k( 573) = ( 0.3636364 0.0909091 0.0000000), wk = 0.0011019 k( 574) = ( 0.3636364 0.0909091 0.0666667), wk = 0.0011019 k( 575) = ( 0.3636364 0.0909091 0.1333333), wk = 0.0011019 k( 576) = ( 0.3636364 0.0909091 0.2000000), wk = 0.0011019 k( 577) = ( 0.3636364 0.0909091 0.2666667), wk = 0.0011019 k( 578) = ( 0.3636364 0.0909091 0.3333333), wk = 0.0011019 k( 579) = ( 0.3636364 0.0909091 0.4000000), wk = 0.0011019 k( 580) = ( 0.3636364 0.0909091 0.4666667), wk = 0.0011019 k( 581) = ( 0.3636364 0.0909091 -0.4666667), wk = 0.0011019 k( 582) = ( 0.3636364 0.0909091 -0.4000000), wk = 0.0011019 k( 583) = ( 0.3636364 0.0909091 -0.3333333), wk = 0.0011019 k( 584) = ( 0.3636364 0.0909091 -0.2666667), wk = 0.0011019 k( 585) = ( 0.3636364 0.0909091 -0.2000000), wk = 0.0011019 k( 586) = ( 0.3636364 0.0909091 -0.1333333), wk = 0.0011019 k( 587) = ( 0.3636364 0.0909091 -0.0666667), wk = 0.0011019 k( 588) = ( 0.3636364 0.1818182 0.0000000), wk = 0.0011019 k( 589) = ( 0.3636364 0.1818182 0.0666667), wk = 0.0011019 k( 590) = ( 0.3636364 0.1818182 0.1333333), wk = 0.0011019 k( 591) = ( 0.3636364 0.1818182 0.2000000), wk = 0.0011019 k( 592) = ( 0.3636364 0.1818182 0.2666667), wk = 0.0011019 k( 593) = ( 0.3636364 0.1818182 0.3333333), wk = 0.0011019 k( 594) = ( 0.3636364 0.1818182 0.4000000), wk = 0.0011019 k( 595) = ( 0.3636364 0.1818182 0.4666667), wk = 0.0011019 k( 596) = ( 0.3636364 0.1818182 -0.4666667), wk = 0.0011019 k( 597) = ( 0.3636364 0.1818182 -0.4000000), wk = 0.0011019 k( 598) = ( 0.3636364 0.1818182 -0.3333333), wk = 0.0011019 k( 599) = ( 0.3636364 0.1818182 -0.2666667), wk = 0.0011019 k( 600) = ( 0.3636364 0.1818182 -0.2000000), wk = 0.0011019 k( 601) = ( 0.3636364 0.1818182 -0.1333333), wk = 0.0011019 k( 602) = ( 0.3636364 0.1818182 -0.0666667), wk = 0.0011019 k( 603) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0011019 k( 604) = ( 0.3636364 0.2727273 0.0666667), wk = 0.0011019 k( 605) = ( 0.3636364 0.2727273 0.1333333), wk = 0.0011019 k( 606) = ( 0.3636364 0.2727273 0.2000000), wk = 0.0011019 k( 607) = ( 0.3636364 0.2727273 0.2666667), wk = 0.0011019 k( 608) = ( 0.3636364 0.2727273 0.3333333), wk = 0.0011019 k( 609) = ( 0.3636364 0.2727273 0.4000000), wk = 0.0011019 k( 610) = ( 0.3636364 0.2727273 0.4666667), wk = 0.0011019 k( 611) = ( 0.3636364 0.2727273 -0.4666667), wk = 0.0011019 k( 612) = ( 0.3636364 0.2727273 -0.4000000), wk = 0.0011019 k( 613) = ( 0.3636364 0.2727273 -0.3333333), wk = 0.0011019 k( 614) = ( 0.3636364 0.2727273 -0.2666667), wk = 0.0011019 k( 615) = ( 0.3636364 0.2727273 -0.2000000), wk = 0.0011019 k( 616) = ( 0.3636364 0.2727273 -0.1333333), wk = 0.0011019 k( 617) = ( 0.3636364 0.2727273 -0.0666667), wk = 0.0011019 k( 618) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0011019 k( 619) = ( 0.3636364 0.3636364 0.0666667), wk = 0.0011019 k( 620) = ( 0.3636364 0.3636364 0.1333333), wk = 0.0011019 k( 621) = ( 0.3636364 0.3636364 0.2000000), wk = 0.0011019 k( 622) = ( 0.3636364 0.3636364 0.2666667), wk = 0.0011019 k( 623) = ( 0.3636364 0.3636364 0.3333333), wk = 0.0011019 k( 624) = ( 0.3636364 0.3636364 0.4000000), wk = 0.0011019 k( 625) = ( 0.3636364 0.3636364 0.4666667), wk = 0.0011019 k( 626) = ( 0.3636364 0.3636364 -0.4666667), wk = 0.0011019 k( 627) = ( 0.3636364 0.3636364 -0.4000000), wk = 0.0011019 k( 628) = ( 0.3636364 0.3636364 -0.3333333), wk = 0.0011019 k( 629) = ( 0.3636364 0.3636364 -0.2666667), wk = 0.0011019 k( 630) = ( 0.3636364 0.3636364 -0.2000000), wk = 0.0011019 k( 631) = ( 0.3636364 0.3636364 -0.1333333), wk = 0.0011019 k( 632) = ( 0.3636364 0.3636364 -0.0666667), wk = 0.0011019 k( 633) = ( 0.3636364 0.4545455 -0.0000000), wk = 0.0011019 k( 634) = ( 0.3636364 0.4545455 0.0666667), wk = 0.0011019 k( 635) = ( 0.3636364 0.4545455 0.1333333), wk = 0.0011019 k( 636) = ( 0.3636364 0.4545455 0.2000000), wk = 0.0011019 k( 637) = ( 0.3636364 0.4545455 0.2666667), wk = 0.0011019 k( 638) = ( 0.3636364 0.4545455 0.3333333), wk = 0.0011019 k( 639) = ( 0.3636364 0.4545455 0.4000000), wk = 0.0011019 k( 640) = ( 0.3636364 0.4545455 0.4666667), wk = 0.0011019 k( 641) = ( 0.3636364 0.4545455 -0.4666667), wk = 0.0011019 k( 642) = ( 0.3636364 0.4545455 -0.4000000), wk = 0.0011019 k( 643) = ( 0.3636364 0.4545455 -0.3333333), wk = 0.0011019 k( 644) = ( 0.3636364 0.4545455 -0.2666667), wk = 0.0011019 k( 645) = ( 0.3636364 0.4545455 -0.2000000), wk = 0.0011019 k( 646) = ( 0.3636364 0.4545455 -0.1333333), wk = 0.0011019 k( 647) = ( 0.3636364 0.4545455 -0.0666667), wk = 0.0011019 k( 648) = ( 0.3636364 -0.4545455 0.0000000), wk = 0.0011019 k( 649) = ( 0.3636364 -0.4545455 0.0666667), wk = 0.0011019 k( 650) = ( 0.3636364 -0.4545455 0.1333333), wk = 0.0011019 k( 651) = ( 0.3636364 -0.4545455 0.2000000), wk = 0.0011019 k( 652) = ( 0.3636364 -0.4545455 0.2666667), wk = 0.0011019 k( 653) = ( 0.3636364 -0.4545455 0.3333333), wk = 0.0011019 k( 654) = ( 0.3636364 -0.4545455 0.4000000), wk = 0.0011019 k( 655) = ( 0.3636364 -0.4545455 0.4666667), wk = 0.0011019 k( 656) = ( 0.3636364 -0.4545455 -0.4666667), wk = 0.0011019 k( 657) = ( 0.3636364 -0.4545455 -0.4000000), wk = 0.0011019 k( 658) = ( 0.3636364 -0.4545455 -0.3333333), wk = 0.0011019 k( 659) = ( 0.3636364 -0.4545455 -0.2666667), wk = 0.0011019 k( 660) = ( 0.3636364 -0.4545455 -0.2000000), wk = 0.0011019 k( 661) = ( 0.3636364 -0.4545455 -0.1333333), wk = 0.0011019 k( 662) = ( 0.3636364 -0.4545455 -0.0666667), wk = 0.0011019 k( 663) = ( 0.3636364 -0.3636364 0.0000000), wk = 0.0011019 k( 664) = ( 0.3636364 -0.3636364 0.0666667), wk = 0.0022039 k( 665) = ( 0.3636364 -0.3636364 0.1333333), wk = 0.0022039 k( 666) = ( 0.3636364 -0.3636364 0.2000000), wk = 0.0022039 k( 667) = ( 0.3636364 -0.3636364 0.2666667), wk = 0.0022039 k( 668) = ( 0.3636364 -0.3636364 0.3333333), wk = 0.0022039 k( 669) = ( 0.3636364 -0.3636364 0.4000000), wk = 0.0022039 k( 670) = ( 0.3636364 -0.3636364 0.4666667), wk = 0.0022039 k( 671) = ( 0.3636364 -0.2727273 0.0000000), wk = 0.0011019 k( 672) = ( 0.3636364 -0.2727273 0.0666667), wk = 0.0011019 k( 673) = ( 0.3636364 -0.2727273 0.1333333), wk = 0.0011019 k( 674) = ( 0.3636364 -0.2727273 0.2000000), wk = 0.0011019 k( 675) = ( 0.3636364 -0.2727273 0.2666667), wk = 0.0011019 k( 676) = ( 0.3636364 -0.2727273 0.3333333), wk = 0.0011019 k( 677) = ( 0.3636364 -0.2727273 0.4000000), wk = 0.0011019 k( 678) = ( 0.3636364 -0.2727273 0.4666667), wk = 0.0011019 k( 679) = ( 0.3636364 -0.2727273 -0.4666667), wk = 0.0011019 k( 680) = ( 0.3636364 -0.2727273 -0.4000000), wk = 0.0011019 k( 681) = ( 0.3636364 -0.2727273 -0.3333333), wk = 0.0011019 k( 682) = ( 0.3636364 -0.2727273 -0.2666667), wk = 0.0011019 k( 683) = ( 0.3636364 -0.2727273 -0.2000000), wk = 0.0011019 k( 684) = ( 0.3636364 -0.2727273 -0.1333333), wk = 0.0011019 k( 685) = ( 0.3636364 -0.2727273 -0.0666667), wk = 0.0011019 k( 686) = ( 0.3636364 -0.1818182 0.0000000), wk = 0.0011019 k( 687) = ( 0.3636364 -0.1818182 0.0666667), wk = 0.0011019 k( 688) = ( 0.3636364 -0.1818182 0.1333333), wk = 0.0011019 k( 689) = ( 0.3636364 -0.1818182 0.2000000), wk = 0.0011019 k( 690) = ( 0.3636364 -0.1818182 0.2666667), wk = 0.0011019 k( 691) = ( 0.3636364 -0.1818182 0.3333333), wk = 0.0011019 k( 692) = ( 0.3636364 -0.1818182 0.4000000), wk = 0.0011019 k( 693) = ( 0.3636364 -0.1818182 0.4666667), wk = 0.0011019 k( 694) = ( 0.3636364 -0.1818182 -0.4666667), wk = 0.0011019 k( 695) = ( 0.3636364 -0.1818182 -0.4000000), wk = 0.0011019 k( 696) = ( 0.3636364 -0.1818182 -0.3333333), wk = 0.0011019 k( 697) = ( 0.3636364 -0.1818182 -0.2666667), wk = 0.0011019 k( 698) = ( 0.3636364 -0.1818182 -0.2000000), wk = 0.0011019 k( 699) = ( 0.3636364 -0.1818182 -0.1333333), wk = 0.0011019 k( 700) = ( 0.3636364 -0.1818182 -0.0666667), wk = 0.0011019 k( 701) = ( 0.3636364 -0.0909091 0.0000000), wk = 0.0011019 k( 702) = ( 0.3636364 -0.0909091 0.0666667), wk = 0.0011019 k( 703) = ( 0.3636364 -0.0909091 0.1333333), wk = 0.0011019 k( 704) = ( 0.3636364 -0.0909091 0.2000000), wk = 0.0011019 k( 705) = ( 0.3636364 -0.0909091 0.2666667), wk = 0.0011019 k( 706) = ( 0.3636364 -0.0909091 0.3333333), wk = 0.0011019 k( 707) = ( 0.3636364 -0.0909091 0.4000000), wk = 0.0011019 k( 708) = ( 0.3636364 -0.0909091 0.4666667), wk = 0.0011019 k( 709) = ( 0.3636364 -0.0909091 -0.4666667), wk = 0.0011019 k( 710) = ( 0.3636364 -0.0909091 -0.4000000), wk = 0.0011019 k( 711) = ( 0.3636364 -0.0909091 -0.3333333), wk = 0.0011019 k( 712) = ( 0.3636364 -0.0909091 -0.2666667), wk = 0.0011019 k( 713) = ( 0.3636364 -0.0909091 -0.2000000), wk = 0.0011019 k( 714) = ( 0.3636364 -0.0909091 -0.1333333), wk = 0.0011019 k( 715) = ( 0.3636364 -0.0909091 -0.0666667), wk = 0.0011019 k( 716) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0011019 k( 717) = ( 0.4545455 0.0000000 0.0666667), wk = 0.0011019 k( 718) = ( 0.4545455 0.0000000 0.1333333), wk = 0.0011019 k( 719) = ( 0.4545455 0.0000000 0.2000000), wk = 0.0011019 k( 720) = ( 0.4545455 0.0000000 0.2666667), wk = 0.0011019 k( 721) = ( 0.4545455 0.0000000 0.3333333), wk = 0.0011019 k( 722) = ( 0.4545455 0.0000000 0.4000000), wk = 0.0011019 k( 723) = ( 0.4545455 0.0000000 0.4666667), wk = 0.0011019 k( 724) = ( 0.4545455 0.0000000 -0.4666667), wk = 0.0011019 k( 725) = ( 0.4545455 0.0000000 -0.4000000), wk = 0.0011019 k( 726) = ( 0.4545455 0.0000000 -0.3333333), wk = 0.0011019 k( 727) = ( 0.4545455 0.0000000 -0.2666667), wk = 0.0011019 k( 728) = ( 0.4545455 0.0000000 -0.2000000), wk = 0.0011019 k( 729) = ( 0.4545455 0.0000000 -0.1333333), wk = 0.0011019 k( 730) = ( 0.4545455 0.0000000 -0.0666667), wk = 0.0011019 k( 731) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0011019 k( 732) = ( 0.4545455 0.0909091 0.0666667), wk = 0.0011019 k( 733) = ( 0.4545455 0.0909091 0.1333333), wk = 0.0011019 k( 734) = ( 0.4545455 0.0909091 0.2000000), wk = 0.0011019 k( 735) = ( 0.4545455 0.0909091 0.2666667), wk = 0.0011019 k( 736) = ( 0.4545455 0.0909091 0.3333333), wk = 0.0011019 k( 737) = ( 0.4545455 0.0909091 0.4000000), wk = 0.0011019 k( 738) = ( 0.4545455 0.0909091 0.4666667), wk = 0.0011019 k( 739) = ( 0.4545455 0.0909091 -0.4666667), wk = 0.0011019 k( 740) = ( 0.4545455 0.0909091 -0.4000000), wk = 0.0011019 k( 741) = ( 0.4545455 0.0909091 -0.3333333), wk = 0.0011019 k( 742) = ( 0.4545455 0.0909091 -0.2666667), wk = 0.0011019 k( 743) = ( 0.4545455 0.0909091 -0.2000000), wk = 0.0011019 k( 744) = ( 0.4545455 0.0909091 -0.1333333), wk = 0.0011019 k( 745) = ( 0.4545455 0.0909091 -0.0666667), wk = 0.0011019 k( 746) = ( 0.4545455 0.1818182 0.0000000), wk = 0.0011019 k( 747) = ( 0.4545455 0.1818182 0.0666667), wk = 0.0011019 k( 748) = ( 0.4545455 0.1818182 0.1333333), wk = 0.0011019 k( 749) = ( 0.4545455 0.1818182 0.2000000), wk = 0.0011019 k( 750) = ( 0.4545455 0.1818182 0.2666667), wk = 0.0011019 k( 751) = ( 0.4545455 0.1818182 0.3333333), wk = 0.0011019 k( 752) = ( 0.4545455 0.1818182 0.4000000), wk = 0.0011019 k( 753) = ( 0.4545455 0.1818182 0.4666667), wk = 0.0011019 k( 754) = ( 0.4545455 0.1818182 -0.4666667), wk = 0.0011019 k( 755) = ( 0.4545455 0.1818182 -0.4000000), wk = 0.0011019 k( 756) = ( 0.4545455 0.1818182 -0.3333333), wk = 0.0011019 k( 757) = ( 0.4545455 0.1818182 -0.2666667), wk = 0.0011019 k( 758) = ( 0.4545455 0.1818182 -0.2000000), wk = 0.0011019 k( 759) = ( 0.4545455 0.1818182 -0.1333333), wk = 0.0011019 k( 760) = ( 0.4545455 0.1818182 -0.0666667), wk = 0.0011019 k( 761) = ( 0.4545455 0.2727273 -0.0000000), wk = 0.0011019 k( 762) = ( 0.4545455 0.2727273 0.0666667), wk = 0.0011019 k( 763) = ( 0.4545455 0.2727273 0.1333333), wk = 0.0011019 k( 764) = ( 0.4545455 0.2727273 0.2000000), wk = 0.0011019 k( 765) = ( 0.4545455 0.2727273 0.2666667), wk = 0.0011019 k( 766) = ( 0.4545455 0.2727273 0.3333333), wk = 0.0011019 k( 767) = ( 0.4545455 0.2727273 0.4000000), wk = 0.0011019 k( 768) = ( 0.4545455 0.2727273 0.4666667), wk = 0.0011019 k( 769) = ( 0.4545455 0.2727273 -0.4666667), wk = 0.0011019 k( 770) = ( 0.4545455 0.2727273 -0.4000000), wk = 0.0011019 k( 771) = ( 0.4545455 0.2727273 -0.3333333), wk = 0.0011019 k( 772) = ( 0.4545455 0.2727273 -0.2666667), wk = 0.0011019 k( 773) = ( 0.4545455 0.2727273 -0.2000000), wk = 0.0011019 k( 774) = ( 0.4545455 0.2727273 -0.1333333), wk = 0.0011019 k( 775) = ( 0.4545455 0.2727273 -0.0666667), wk = 0.0011019 k( 776) = ( 0.4545455 0.3636364 -0.0000000), wk = 0.0011019 k( 777) = ( 0.4545455 0.3636364 0.0666667), wk = 0.0011019 k( 778) = ( 0.4545455 0.3636364 0.1333333), wk = 0.0011019 k( 779) = ( 0.4545455 0.3636364 0.2000000), wk = 0.0011019 k( 780) = ( 0.4545455 0.3636364 0.2666667), wk = 0.0011019 k( 781) = ( 0.4545455 0.3636364 0.3333333), wk = 0.0011019 k( 782) = ( 0.4545455 0.3636364 0.4000000), wk = 0.0011019 k( 783) = ( 0.4545455 0.3636364 0.4666667), wk = 0.0011019 k( 784) = ( 0.4545455 0.3636364 -0.4666667), wk = 0.0011019 k( 785) = ( 0.4545455 0.3636364 -0.4000000), wk = 0.0011019 k( 786) = ( 0.4545455 0.3636364 -0.3333333), wk = 0.0011019 k( 787) = ( 0.4545455 0.3636364 -0.2666667), wk = 0.0011019 k( 788) = ( 0.4545455 0.3636364 -0.2000000), wk = 0.0011019 k( 789) = ( 0.4545455 0.3636364 -0.1333333), wk = 0.0011019 k( 790) = ( 0.4545455 0.3636364 -0.0666667), wk = 0.0011019 k( 791) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0011019 k( 792) = ( 0.4545455 0.4545455 0.0666667), wk = 0.0011019 k( 793) = ( 0.4545455 0.4545455 0.1333333), wk = 0.0011019 k( 794) = ( 0.4545455 0.4545455 0.2000000), wk = 0.0011019 k( 795) = ( 0.4545455 0.4545455 0.2666667), wk = 0.0011019 k( 796) = ( 0.4545455 0.4545455 0.3333333), wk = 0.0011019 k( 797) = ( 0.4545455 0.4545455 0.4000000), wk = 0.0011019 k( 798) = ( 0.4545455 0.4545455 0.4666667), wk = 0.0011019 k( 799) = ( 0.4545455 0.4545455 -0.4666667), wk = 0.0011019 k( 800) = ( 0.4545455 0.4545455 -0.4000000), wk = 0.0011019 k( 801) = ( 0.4545455 0.4545455 -0.3333333), wk = 0.0011019 k( 802) = ( 0.4545455 0.4545455 -0.2666667), wk = 0.0011019 k( 803) = ( 0.4545455 0.4545455 -0.2000000), wk = 0.0011019 k( 804) = ( 0.4545455 0.4545455 -0.1333333), wk = 0.0011019 k( 805) = ( 0.4545455 0.4545455 -0.0666667), wk = 0.0011019 k( 806) = ( 0.4545455 -0.4545455 0.0000000), wk = 0.0011019 k( 807) = ( 0.4545455 -0.4545455 0.0666667), wk = 0.0022039 k( 808) = ( 0.4545455 -0.4545455 0.1333333), wk = 0.0022039 k( 809) = ( 0.4545455 -0.4545455 0.2000000), wk = 0.0022039 k( 810) = ( 0.4545455 -0.4545455 0.2666667), wk = 0.0022039 k( 811) = ( 0.4545455 -0.4545455 0.3333333), wk = 0.0022039 k( 812) = ( 0.4545455 -0.4545455 0.4000000), wk = 0.0022039 k( 813) = ( 0.4545455 -0.4545455 0.4666667), wk = 0.0022039 k( 814) = ( 0.4545455 -0.3636364 0.0000000), wk = 0.0011019 k( 815) = ( 0.4545455 -0.3636364 0.0666667), wk = 0.0011019 k( 816) = ( 0.4545455 -0.3636364 0.1333333), wk = 0.0011019 k( 817) = ( 0.4545455 -0.3636364 0.2000000), wk = 0.0011019 k( 818) = ( 0.4545455 -0.3636364 0.2666667), wk = 0.0011019 k( 819) = ( 0.4545455 -0.3636364 0.3333333), wk = 0.0011019 k( 820) = ( 0.4545455 -0.3636364 0.4000000), wk = 0.0011019 k( 821) = ( 0.4545455 -0.3636364 0.4666667), wk = 0.0011019 k( 822) = ( 0.4545455 -0.3636364 -0.4666667), wk = 0.0011019 k( 823) = ( 0.4545455 -0.3636364 -0.4000000), wk = 0.0011019 k( 824) = ( 0.4545455 -0.3636364 -0.3333333), wk = 0.0011019 k( 825) = ( 0.4545455 -0.3636364 -0.2666667), wk = 0.0011019 k( 826) = ( 0.4545455 -0.3636364 -0.2000000), wk = 0.0011019 k( 827) = ( 0.4545455 -0.3636364 -0.1333333), wk = 0.0011019 k( 828) = ( 0.4545455 -0.3636364 -0.0666667), wk = 0.0011019 k( 829) = ( 0.4545455 -0.2727273 -0.0000000), wk = 0.0011019 k( 830) = ( 0.4545455 -0.2727273 0.0666667), wk = 0.0011019 k( 831) = ( 0.4545455 -0.2727273 0.1333333), wk = 0.0011019 k( 832) = ( 0.4545455 -0.2727273 0.2000000), wk = 0.0011019 k( 833) = ( 0.4545455 -0.2727273 0.2666667), wk = 0.0011019 k( 834) = ( 0.4545455 -0.2727273 0.3333333), wk = 0.0011019 k( 835) = ( 0.4545455 -0.2727273 0.4000000), wk = 0.0011019 k( 836) = ( 0.4545455 -0.2727273 0.4666667), wk = 0.0011019 k( 837) = ( 0.4545455 -0.2727273 -0.4666667), wk = 0.0011019 k( 838) = ( 0.4545455 -0.2727273 -0.4000000), wk = 0.0011019 k( 839) = ( 0.4545455 -0.2727273 -0.3333333), wk = 0.0011019 k( 840) = ( 0.4545455 -0.2727273 -0.2666667), wk = 0.0011019 k( 841) = ( 0.4545455 -0.2727273 -0.2000000), wk = 0.0011019 k( 842) = ( 0.4545455 -0.2727273 -0.1333333), wk = 0.0011019 k( 843) = ( 0.4545455 -0.2727273 -0.0666667), wk = 0.0011019 k( 844) = ( 0.4545455 -0.1818182 0.0000000), wk = 0.0011019 k( 845) = ( 0.4545455 -0.1818182 0.0666667), wk = 0.0011019 k( 846) = ( 0.4545455 -0.1818182 0.1333333), wk = 0.0011019 k( 847) = ( 0.4545455 -0.1818182 0.2000000), wk = 0.0011019 k( 848) = ( 0.4545455 -0.1818182 0.2666667), wk = 0.0011019 k( 849) = ( 0.4545455 -0.1818182 0.3333333), wk = 0.0011019 k( 850) = ( 0.4545455 -0.1818182 0.4000000), wk = 0.0011019 k( 851) = ( 0.4545455 -0.1818182 0.4666667), wk = 0.0011019 k( 852) = ( 0.4545455 -0.1818182 -0.4666667), wk = 0.0011019 k( 853) = ( 0.4545455 -0.1818182 -0.4000000), wk = 0.0011019 k( 854) = ( 0.4545455 -0.1818182 -0.3333333), wk = 0.0011019 k( 855) = ( 0.4545455 -0.1818182 -0.2666667), wk = 0.0011019 k( 856) = ( 0.4545455 -0.1818182 -0.2000000), wk = 0.0011019 k( 857) = ( 0.4545455 -0.1818182 -0.1333333), wk = 0.0011019 k( 858) = ( 0.4545455 -0.1818182 -0.0666667), wk = 0.0011019 k( 859) = ( 0.4545455 -0.0909091 -0.0000000), wk = 0.0011019 k( 860) = ( 0.4545455 -0.0909091 0.0666667), wk = 0.0011019 k( 861) = ( 0.4545455 -0.0909091 0.1333333), wk = 0.0011019 k( 862) = ( 0.4545455 -0.0909091 0.2000000), wk = 0.0011019 k( 863) = ( 0.4545455 -0.0909091 0.2666667), wk = 0.0011019 k( 864) = ( 0.4545455 -0.0909091 0.3333333), wk = 0.0011019 k( 865) = ( 0.4545455 -0.0909091 0.4000000), wk = 0.0011019 k( 866) = ( 0.4545455 -0.0909091 0.4666667), wk = 0.0011019 k( 867) = ( 0.4545455 -0.0909091 -0.4666667), wk = 0.0011019 k( 868) = ( 0.4545455 -0.0909091 -0.4000000), wk = 0.0011019 k( 869) = ( 0.4545455 -0.0909091 -0.3333333), wk = 0.0011019 k( 870) = ( 0.4545455 -0.0909091 -0.2666667), wk = 0.0011019 k( 871) = ( 0.4545455 -0.0909091 -0.2000000), wk = 0.0011019 k( 872) = ( 0.4545455 -0.0909091 -0.1333333), wk = 0.0011019 k( 873) = ( 0.4545455 -0.0909091 -0.0666667), wk = 0.0011019 Dense grid: 17291 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 94, 24) NL pseudopotentials 0.06 Mb ( 47, 82) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 361) G-vector shells 0.00 Mb ( 185) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 94, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.06 Mb ( 82, 2, 24) Arrays for rho mixing 0.25 Mb ( 2025, 8) Initial potential from superposition of free atoms starting charge 15.99470, renormalised to 16.00000 Starting wfc are 36 randomized atomic wfcs total cpu time spent up to now is 79.9 secs per-process dynamical memory: 65.4 Mb Self-consistent Calculation iteration # 1 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 4.5 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 8.57E-04, avg # of iterations = 1.0 total cpu time spent up to now is 236.1 secs total energy = -89.74631989 Ry Harris-Foulkes estimate = -89.79801247 Ry estimated scf accuracy < 0.13399997 Ry iteration # 2 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 8.37E-04, avg # of iterations = 2.0 total cpu time spent up to now is 299.1 secs total energy = -89.76382307 Ry Harris-Foulkes estimate = -89.78151320 Ry estimated scf accuracy < 0.06272815 Ry iteration # 3 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.92E-04, avg # of iterations = 1.1 total cpu time spent up to now is 356.1 secs total energy = -89.76814617 Ry Harris-Foulkes estimate = -89.77169815 Ry estimated scf accuracy < 0.01036320 Ry iteration # 4 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.48E-05, avg # of iterations = 2.0 total cpu time spent up to now is 418.4 secs total energy = -89.76919982 Ry Harris-Foulkes estimate = -89.76957176 Ry estimated scf accuracy < 0.00092489 Ry iteration # 5 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.78E-06, avg # of iterations = 2.6 total cpu time spent up to now is 484.7 secs total energy = -89.76937905 Ry Harris-Foulkes estimate = -89.76945755 Ry estimated scf accuracy < 0.00028915 Ry iteration # 6 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.81E-06, avg # of iterations = 1.6 total cpu time spent up to now is 540.8 secs total energy = -89.76941703 Ry Harris-Foulkes estimate = -89.76942170 Ry estimated scf accuracy < 0.00001221 Ry iteration # 7 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.63E-08, avg # of iterations = 2.9 total cpu time spent up to now is 615.2 secs total energy = -89.76941914 Ry Harris-Foulkes estimate = -89.76942062 Ry estimated scf accuracy < 0.00000509 Ry iteration # 8 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.18E-08, avg # of iterations = 1.0 total cpu time spent up to now is 671.8 secs total energy = -89.76941959 Ry Harris-Foulkes estimate = -89.76941967 Ry estimated scf accuracy < 0.00000025 Ry iteration # 9 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.57E-09, avg # of iterations = 2.9 total cpu time spent up to now is 743.2 secs total energy = -89.76941963 Ry Harris-Foulkes estimate = -89.76941964 Ry estimated scf accuracy < 0.00000003 Ry iteration # 10 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.74E-10, avg # of iterations = 2.0 total cpu time spent up to now is 804.1 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 2163 PWs) bands (ev): -24.8457 -24.8457 3.9317 3.9317 12.6088 12.6088 16.0787 16.0787 18.2592 18.2592 18.3165 18.3165 20.4833 20.4833 20.5647 20.5647 25.0420 25.0420 27.0505 27.0505 28.3281 28.3281 28.4238 28.4238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.1414 ( 2177 PWs) bands (ev): -24.8341 -24.8339 4.0988 4.1040 12.7897 12.7944 16.0505 16.0649 17.9384 17.9585 18.2446 18.2629 20.2743 20.2921 20.4600 20.4844 24.9434 24.9494 26.0919 26.1088 28.1909 28.2192 29.9083 29.9092 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.2828 ( 2171 PWs) bands (ev): -24.8017 -24.8014 4.6054 4.6146 13.2788 13.2881 15.7498 15.7769 17.3871 17.4253 18.1214 18.1633 19.4686 19.5070 20.4519 20.4964 24.7785 24.7869 25.2418 25.2625 27.8896 27.9371 29.9238 29.9239 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.4242 ( 2184 PWs) bands (ev): -24.7556 -24.7553 5.4480 5.4591 13.8526 13.8664 14.8282 14.8454 17.4328 17.4613 17.9963 18.0621 18.3810 18.4426 20.5184 20.5708 24.6739 24.6852 24.7780 24.7823 27.7879 27.8376 28.4978 28.5006 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.5656 ( 2188 PWs) bands (ev): -24.7052 -24.7051 6.6106 6.6211 13.7200 13.7285 14.0660 14.0842 17.3307 17.3794 17.9314 17.9498 18.2117 18.2680 20.6087 20.6580 24.2935 24.3151 24.9644 24.9654 26.9202 26.9265 27.9366 27.9708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.7070 ( 2168 PWs) bands (ev): -24.6595 -24.6595 8.0444 8.0513 12.7700 12.7745 13.6925 13.7123 16.7102 16.7621 18.4507 18.5253 18.6882 18.7144 20.6551 20.6936 23.9784 24.0069 25.3461 25.3653 25.4209 25.4467 27.3188 27.3399 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.8484 ( 2178 PWs) bands (ev): -24.6256 -24.6255 9.6034 9.6040 12.0989 12.1011 13.1469 13.1695 16.3417 16.3852 18.1449 18.1932 19.6461 19.6651 20.6582 20.6808 23.5245 23.5762 24.0582 24.0960 25.4458 25.4779 26.6408 26.6470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.9898 ( 2166 PWs) bands (ev): -24.6076 -24.6076 10.8239 10.8301 11.7547 11.7554 12.8535 12.8713 16.0388 16.0615 17.4375 17.4557 20.6246 20.6493 20.7269 20.7306 22.3716 22.3897 23.7962 23.8022 25.0059 25.0149 27.3005 27.3176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093 0.0964 ( 2178 PWs) bands (ev): -24.8346 -24.8343 4.0948 4.0999 12.7734 12.7776 16.0255 16.0393 17.9155 17.9448 18.3702 18.3774 20.2580 20.2792 20.3266 20.3386 25.0554 25.0714 26.2141 26.2153 28.3674 28.3761 29.3477 29.3507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093 0.2378 ( 2170 PWs) bands (ev): -24.8091 -24.8088 4.4901 4.4988 13.1748 13.1827 15.7406 15.7654 17.4706 17.5106 18.3254 18.3567 19.7017 19.7354 20.1331 20.1648 24.7219 24.7521 25.7240 25.7519 28.0892 28.1248 29.8993 29.9185 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093 0.3792 ( 2173 PWs) bands (ev): -24.7681 -24.7677 5.2188 5.2299 13.7402 13.7514 14.9508 14.9705 17.3626 17.3968 18.1806 18.2351 18.7071 18.7600 20.1670 20.2121 24.4802 24.5146 25.3168 25.3562 27.6738 27.7158 29.2030 29.2211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093 0.5206 ( 2181 PWs) bands (ev): -24.7200 -24.7198 6.2682 6.2792 13.6754 13.6864 14.3502 14.3614 17.4349 17.4434 17.8061 17.8319 18.3407 18.3984 20.2959 20.3441 24.3504 24.3839 25.0078 25.0420 27.1853 27.2014 28.4166 28.4520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093 0.6620 ( 2172 PWs) bands (ev): -24.6739 -24.6739 7.5957 7.6034 12.7691 12.7813 14.0913 14.1094 16.8613 16.9132 18.0772 18.1279 18.7552 18.8163 20.4153 20.4594 24.0711 24.0986 24.8647 24.8858 26.2458 26.2680 28.0088 28.0227 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093 0.8034 ( 2172 PWs) bands (ev): -24.6374 -24.6373 9.0650 9.0660 12.1059 12.1181 13.5306 13.5478 16.4559 16.5019 18.3382 18.3996 19.2172 19.2460 20.4984 20.5337 23.4195 23.4491 24.3989 24.4229 25.7971 25.8367 27.0817 27.1214 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093 0.9448 ( 2171 PWs) bands (ev): -24.6151 -24.6150 10.2030 10.2124 12.0125 12.0220 13.0482 13.0650 16.1424 16.1745 17.7241 17.7529 20.0332 20.0594 20.5338 20.5740 22.4567 22.4733 23.9613 23.9885 25.4551 25.5084 27.5314 27.5569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093 1.0863 ( 2167 PWs) bands (ev): -24.6095 -24.6094 10.4488 10.4571 12.2309 12.2340 12.8753 12.8822 15.9918 16.0021 17.4412 17.4489 20.3145 20.3497 20.6854 20.7308 21.9811 21.9860 23.8605 23.8934 25.3681 25.4305 27.8361 27.8710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093-0.8934 ( 2174 PWs) bands (ev): -24.6214 -24.6212 9.8802 9.8873 11.9563 11.9684 13.2001 13.2174 16.2562 16.2952 17.9856 18.0261 19.7353 19.7526 20.5165 20.5506 22.8157 22.8378 24.0815 24.1043 25.5619 25.6050 27.2942 27.3054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093-0.7520 ( 2168 PWs) bands (ev): -24.6492 -24.6491 8.5319 8.5354 12.3004 12.3124 13.7421 13.7596 16.5824 16.6314 18.3493 18.4158 19.0031 19.0489 20.4756 20.5140 23.7075 23.7372 24.6132 24.6386 25.9025 25.9453 27.2804 27.3296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093-0.6106 ( 2179 PWs) bands (ev): -24.6899 -24.6899 7.0860 7.0953 13.0894 13.1018 14.2376 14.2552 17.0683 17.1170 17.9012 17.9410 18.6011 18.6640 20.3749 20.4213 24.2079 24.2367 24.9153 24.9386 26.5841 26.5970 28.2364 28.2540 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093-0.4692 ( 2176 PWs) bands (ev): -24.7377 -24.7374 5.8512 5.8625 13.8954 13.9019 14.4366 14.4398 17.4322 17.4635 18.0410 18.0741 18.2593 18.2973 20.2470 20.2950 24.3975 24.4322 25.1008 25.1390 27.4227 27.4496 28.6290 28.6590 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093-0.3278 ( 2172 PWs) bands (ev): -24.7843 -24.7839 4.9157 4.9262 13.5379 13.5482 15.2856 15.3089 17.3552 17.3924 18.2217 18.2681 19.0943 19.1397 20.1354 20.1770 24.5485 24.5820 25.4575 25.4947 27.8068 27.8503 29.5361 29.5526 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093-0.1864 ( 2172 PWs) bands (ev): -24.8206 -24.8203 4.3075 4.3150 12.9962 13.0027 15.8963 15.9180 17.6144 17.6522 18.3694 18.3909 19.9777 20.0057 20.1707 20.1959 24.8459 24.8722 25.8909 25.9105 28.2555 28.2821 29.8405 29.8566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1093-0.0450 ( 2179 PWs) bands (ev): -24.8387 -24.8385 4.0341 4.0382 12.7071 12.7105 16.0517 16.0620 18.0632 18.0846 18.3212 18.3307 20.3102 20.3301 20.4174 20.4264 25.1334 25.1426 26.3703 26.3806 28.2403 28.2556 29.1962 29.2025 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 0.1928 ( 2168 PWs) bands (ev): -24.8045 -24.8041 4.5810 4.5908 13.2352 13.2424 15.5086 15.5327 17.4997 17.5407 18.5747 18.5955 19.4893 19.5090 19.7773 19.8051 24.4520 24.4885 26.3854 26.4060 28.4482 28.4610 29.3057 29.3315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 0.3342 ( 2165 PWs) bands (ev): -24.7717 -24.7714 5.1851 5.1968 13.7324 13.7408 14.7002 14.7220 17.4109 17.4489 18.4962 18.5418 18.8814 18.9290 19.5664 19.6061 23.9911 24.0264 26.4138 26.4460 27.9579 27.9847 29.4508 29.4721 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 0.4756 ( 2175 PWs) bands (ev): -24.7304 -24.7302 6.0979 6.1094 13.4082 13.4243 14.5370 14.5469 17.3094 17.3381 17.9891 18.0330 18.5780 18.6310 19.7453 19.7880 23.7292 23.7591 26.1198 26.1496 27.3608 27.3836 29.2210 29.2508 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 0.6170 ( 2174 PWs) bands (ev): -24.6888 -24.6887 7.2709 7.2788 12.4914 12.5094 14.5967 14.6153 16.9875 17.0288 17.6719 17.7030 18.9551 19.0150 19.9677 20.0115 23.4797 23.5034 25.5859 25.6020 26.8146 26.8340 28.7915 28.8048 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 0.7584 ( 2177 PWs) bands (ev): -24.6539 -24.6538 8.5402 8.5435 11.8918 11.9117 14.1469 14.1628 16.5726 16.6193 18.1099 18.1570 19.0679 19.1048 20.2420 20.2790 22.9822 23.0006 24.8347 24.8488 26.3794 26.4180 28.1477 28.2143 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 0.8999 ( 2175 PWs) bands (ev): -24.6305 -24.6303 9.4203 9.4344 12.0496 12.0716 13.6068 13.6167 16.2538 16.2905 18.1267 18.1667 19.2170 19.2244 20.3043 20.3447 22.2560 22.2672 24.1787 24.2041 26.4056 26.4480 28.1891 28.2225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 1.0413 ( 2177 PWs) bands (ev): -24.6210 -24.6209 9.6349 9.6502 12.8767 12.8832 13.0781 13.0805 15.9781 15.9919 17.7122 17.7217 19.5680 19.6003 20.3384 20.3855 21.7319 21.7346 23.9535 23.9842 26.4255 26.4943 28.9269 28.9683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 1.1827 ( 2171 PWs) bands (ev): 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25.4054 25.4196 26.6506 26.6767 28.6248 28.6527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187-0.5142 ( 2176 PWs) bands (ev): -24.7188 -24.7186 6.3956 6.4065 13.1494 13.1667 14.6069 14.6201 17.2668 17.2850 17.7959 17.8344 18.6700 18.7270 19.8018 19.8455 23.6711 23.6993 25.9924 26.0176 27.2273 27.2467 29.1069 29.1371 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187-0.3728 ( 2165 PWs) bands (ev): -24.7610 -24.7606 5.4045 5.4164 13.8155 13.8209 14.5087 14.5251 17.3926 17.4290 18.4658 18.5152 18.6471 18.6984 19.6031 19.6433 23.9049 23.9389 26.3637 26.3982 27.7645 27.7932 29.4470 29.4693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187-0.2314 ( 2170 PWs) bands (ev): -24.7969 -24.7965 4.7140 4.7244 13.3634 13.3713 15.3125 15.3370 17.4615 17.5025 18.5900 18.6170 19.3623 19.3889 19.6615 19.6947 24.3028 24.3395 26.4337 26.4564 28.4558 28.4727 29.2465 29.2738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187-0.0900 ( 2167 PWs) bands (ev): -24.8187 -24.8184 4.3443 4.3524 12.9897 12.9954 15.8597 15.8806 17.6776 17.7136 18.3900 18.4131 19.7845 19.8145 20.0537 20.0758 24.9315 24.9662 26.0144 26.0412 28.0523 28.0801 29.9049 29.9229 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2187 0.0514 ( 2167 PWs) bands (ev): 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27.2172 27.2366 28.0130 28.0277 29.6077 29.6311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280 0.5720 ( 2170 PWs) bands (ev): -24.7008 -24.7007 7.1063 7.1145 12.0951 12.1148 14.9601 14.9756 17.0614 17.0809 17.4830 17.5201 19.0570 19.1120 19.6263 19.6628 22.8932 22.9171 26.8453 26.8585 27.2858 27.3163 29.6023 29.6284 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280 0.7135 ( 2174 PWs) bands (ev): -24.6720 -24.6719 8.1050 8.1107 11.5993 11.6208 14.7205 14.7394 16.6975 16.7424 17.6102 17.6382 19.1971 19.2372 19.9987 20.0258 22.5425 22.5553 25.7639 25.7743 26.9337 26.9678 29.2624 29.3236 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280 0.8549 ( 2175 PWs) bands (ev): -24.6514 -24.6512 8.6671 8.6850 11.9544 11.9804 14.2288 14.2401 16.3567 16.3956 18.0781 18.1098 18.9624 18.9965 20.0902 20.1262 22.0643 22.0684 24.6548 24.6744 27.2102 27.2396 29.0233 29.0944 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280 0.9963 ( 2179 PWs) bands (ev): -24.6410 -24.6408 8.7599 8.7805 12.9220 12.9381 13.8057 13.8079 15.9870 16.0124 18.0654 18.0832 18.9931 19.0320 19.9046 19.9535 21.6182 21.6253 24.2303 24.2513 27.6553 27.7063 29.4532 29.4926 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280 1.1377 ( 2178 PWs) bands (ev): 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25.8843 25.8948 26.9378 26.9722 29.2980 29.3555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280-0.5592 ( 2172 PWs) bands (ev): -24.7037 -24.7036 7.0112 7.0201 12.1672 12.1868 14.9523 14.9667 17.0821 17.1006 17.5201 17.5586 19.0195 19.0736 19.6053 19.6416 22.9182 22.9431 26.9020 26.9145 27.3475 27.3768 29.6212 29.6472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280-0.4178 ( 2168 PWs) bands (ev): -24.7369 -24.7366 6.0419 6.0547 13.1091 13.1272 14.5822 14.5869 17.3016 17.3357 18.2038 18.2381 18.6415 18.6797 19.4245 19.4589 23.1845 23.2189 27.2306 27.2511 28.0843 28.0979 29.5740 29.5965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280-0.2764 ( 2168 PWs) bands (ev): -24.7677 -24.7673 5.3043 5.3176 13.7517 13.7582 14.4259 14.4503 17.4827 17.5223 18.6484 18.6686 18.6958 18.7319 19.3645 19.4112 23.5886 23.6286 27.2047 27.2292 28.6548 28.6661 28.9908 29.0262 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280-0.1350 ( 2171 PWs) bands (ev): -24.7894 -24.7890 4.8561 4.8683 13.4041 13.4108 15.2596 15.2839 17.5392 17.5777 18.4193 18.4529 19.0468 19.0795 19.6551 19.6934 24.1900 24.2279 26.3265 26.3556 28.1287 28.1607 29.8889 29.9206 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3280 0.0064 ( 2175 PWs) bands (ev): 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27.6497 27.6655 29.2094 29.2196 29.2652 29.2981 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373 0.5271 ( 2167 PWs) bands (ev): -24.7076 -24.7075 7.1061 7.1146 11.6688 11.6848 15.1681 15.1754 16.9656 16.9860 17.6972 17.7325 18.7967 18.8296 19.5951 19.6103 22.5748 22.5940 27.4813 27.4882 28.5141 28.5290 30.0647 30.0952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373 0.6685 ( 2173 PWs) bands (ev): -24.6886 -24.6885 7.7583 7.7655 11.3334 11.3508 15.1013 15.1201 16.9186 16.9573 17.2708 17.3055 19.2511 19.3013 19.6716 19.6988 22.3765 22.3823 26.9449 26.9561 27.5470 27.5778 30.1844 30.2343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373 0.8099 ( 2172 PWs) bands (ev): -24.6749 -24.6746 7.9578 7.9773 11.8892 11.9135 14.6765 14.6924 16.5895 16.6300 17.6553 17.6782 19.1369 19.1858 19.8003 19.8316 22.1381 22.1549 25.4559 25.4730 27.7893 27.8092 30.0736 30.1414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373 0.9513 ( 2174 PWs) bands (ev): -24.6672 -24.6669 7.8835 7.9061 12.9747 12.9953 14.2956 14.3040 16.2035 16.2367 18.0726 18.1019 18.8198 18.8786 19.5802 19.6315 21.8121 21.8272 24.6832 24.6991 28.6262 28.6544 29.9019 29.9697 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373 1.0927 ( 2171 PWs) bands (ev): -24.6656 -24.6652 7.8508 7.8736 13.4178 13.4282 14.1662 14.1696 16.0253 16.0514 18.1678 18.1894 18.7256 18.7834 19.5049 19.5640 21.6810 21.6939 24.5671 24.5798 29.0909 29.1347 29.8266 29.8651 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373 1.2341 ( 2174 PWs) bands (ev): -24.6700 -24.6696 7.9254 7.9474 12.4698 12.4938 14.4495 14.4613 16.3888 16.4262 17.9099 17.9372 18.9628 19.0171 19.6919 19.7335 21.9698 21.9869 24.9238 24.9417 28.1918 28.2124 29.9776 30.0475 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373 1.3755 ( 2175 PWs) bands (ev): -24.6804 -24.6802 7.9252 7.9403 11.5282 11.5500 14.8828 14.9013 16.7468 16.7892 17.4403 17.4638 19.2405 19.2888 19.7881 19.8153 22.2515 22.2637 26.0950 26.1087 27.5929 27.6153 30.1432 30.2053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373-0.6042 ( 2168 PWs) bands (ev): -24.6967 -24.6966 7.5038 7.5071 11.3878 11.4032 15.2027 15.2175 16.9550 16.9728 17.3704 17.4092 19.0949 19.1362 19.6186 19.6382 22.4707 22.4807 27.3495 27.3589 27.8792 27.9082 30.1697 30.2097 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373-0.4628 ( 2166 PWs) bands (ev): -24.7173 -24.7171 6.7517 6.7638 12.0321 12.0493 15.0146 15.0179 17.0443 17.0708 18.0117 18.0423 18.5612 18.5903 19.5603 19.5767 22.6663 22.6930 27.5651 27.5759 28.9065 28.9147 29.8193 29.8398 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373-0.3214 ( 2162 PWs) bands (ev): -24.7387 -24.7383 6.0443 6.0598 13.0539 13.0700 14.5055 14.5123 17.3377 17.3717 18.2527 18.2784 18.5276 18.5605 19.4442 19.4738 22.9744 23.0137 27.6313 27.6471 28.6436 28.6592 29.4774 29.5048 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373-0.1800 ( 2171 PWs) bands (ev): -24.7559 -24.7554 5.5515 5.5674 13.7813 13.7904 14.4078 14.4354 17.5529 17.5908 18.2289 18.2633 18.4885 18.5353 19.4651 19.5075 23.4532 23.4930 26.4395 26.4554 28.5331 28.5702 29.8921 29.9357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4373-0.0386 ( 2180 PWs) bands (ev): 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27.1189 27.1306 28.3909 28.4223 29.7175 29.7552 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466 0.4821 ( 2168 PWs) bands (ev): -24.7078 -24.7077 7.2440 7.2524 11.3416 11.3515 15.2710 15.2757 16.8600 16.8752 18.0958 18.0984 18.3509 18.3515 19.6825 19.6887 22.4467 22.4609 27.6699 27.6739 29.7527 29.7584 29.8512 29.8633 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466 0.6235 ( 2172 PWs) bands (ev): -24.7012 -24.7011 7.4731 7.4811 11.2214 11.2317 15.2631 15.2759 16.8949 16.9061 17.5807 17.6144 18.8197 18.8490 19.6685 19.6768 22.3859 22.3964 27.5555 27.5616 28.7269 28.7444 30.4024 30.4369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466 0.7649 ( 2169 PWs) bands (ev): -24.6977 -24.6973 7.3066 7.3255 11.9494 11.9698 14.8593 14.8758 17.0188 17.0631 17.3945 17.4266 19.0858 19.1330 19.5694 19.5965 22.3871 22.4166 26.4968 26.5139 28.2245 28.2453 30.6710 30.7118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466 0.9063 ( 2172 PWs) bands (ev): -24.6964 -24.6960 7.0514 7.0732 13.0930 13.1135 14.4492 14.4635 16.7650 16.8031 17.7859 17.8204 18.7821 18.8403 19.4509 19.4966 22.3399 22.3665 25.2726 25.2879 28.9191 28.9369 30.7657 30.8101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466 1.0477 ( 2171 PWs) bands (ev): 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1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466-0.3664 ( 2170 PWs) bands (ev): -24.7149 -24.7146 6.8447 6.8606 11.9947 12.0113 14.9389 14.9499 17.0725 17.0991 17.8449 17.8747 18.6503 18.6807 19.5940 19.6104 22.5621 22.5934 27.6144 27.6243 28.7088 28.7297 30.1354 30.1590 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466-0.2250 ( 2168 PWs) bands (ev): -24.7236 -24.7231 6.3861 6.4050 13.1060 13.1237 14.4703 14.4848 17.3532 17.3943 17.6957 17.7355 18.6779 18.7245 19.4734 19.5081 22.8313 22.8700 26.3514 26.3656 28.6758 28.7127 30.3356 30.3706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466-0.0836 ( 2175 PWs) bands (ev): 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26.0976 26.1118 28.7988 28.8374 30.3526 30.3903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5466 0.3407 ( 2167 PWs) bands (ev): -24.7166 -24.7162 6.7528 6.7697 12.1821 12.1995 14.8495 14.8611 17.1320 17.1607 17.7950 17.8251 18.7019 18.7345 19.5682 19.5877 22.6034 22.6375 27.4900 27.5034 28.5493 28.5770 30.1832 30.2086 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607 0.0964 ( 2178 PWs) bands (ev): -24.8346 -24.8343 4.0948 4.0999 12.7734 12.7776 16.0255 16.0393 17.9155 17.9448 18.3702 18.3774 20.2580 20.2792 20.3266 20.3386 25.0554 25.0714 26.2141 26.2153 28.3674 28.3761 29.3477 29.3507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607 0.2378 ( 2170 PWs) bands (ev): -24.8091 -24.8088 4.4901 4.4988 13.1748 13.1827 15.7406 15.7654 17.4706 17.5106 18.3254 18.3567 19.7017 19.7354 20.1331 20.1648 24.7219 24.7521 25.7240 25.7519 28.0892 28.1248 29.8993 29.9185 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607 0.3792 ( 2173 PWs) bands (ev): -24.7681 -24.7677 5.2188 5.2299 13.7402 13.7514 14.9508 14.9705 17.3626 17.3968 18.1806 18.2351 18.7071 18.7600 20.1670 20.2121 24.4802 24.5146 25.3168 25.3562 27.6738 27.7158 29.2030 29.2211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607 0.5206 ( 2181 PWs) bands (ev): -24.7200 -24.7198 6.2682 6.2792 13.6754 13.6864 14.3502 14.3614 17.4349 17.4434 17.8061 17.8319 18.3407 18.3984 20.2959 20.3441 24.3504 24.3839 25.0078 25.0420 27.1853 27.2014 28.4166 28.4520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607 0.6620 ( 2172 PWs) bands (ev): -24.6739 -24.6739 7.5957 7.6034 12.7691 12.7813 14.0913 14.1094 16.8613 16.9132 18.0772 18.1279 18.7552 18.8163 20.4153 20.4594 24.0711 24.0986 24.8647 24.8858 26.2458 26.2680 28.0088 28.0228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607 0.8034 ( 2172 PWs) bands (ev): -24.6374 -24.6373 9.0650 9.0660 12.1059 12.1181 13.5306 13.5478 16.4559 16.5019 18.3382 18.3996 19.2172 19.2460 20.4984 20.5337 23.4195 23.4491 24.3989 24.4229 25.7971 25.8367 27.0817 27.1214 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607 0.9448 ( 2171 PWs) bands (ev): -24.6151 -24.6150 10.2030 10.2124 12.0125 12.0220 13.0482 13.0650 16.1424 16.1745 17.7241 17.7529 20.0332 20.0594 20.5338 20.5740 22.4567 22.4733 23.9613 23.9885 25.4551 25.5084 27.5314 27.5569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607 1.0863 ( 2167 PWs) bands (ev): -24.6095 -24.6094 10.4488 10.4571 12.2309 12.2340 12.8753 12.8822 15.9918 16.0021 17.4412 17.4489 20.3145 20.3497 20.6854 20.7308 21.9811 21.9860 23.8605 23.8934 25.3681 25.4305 27.8361 27.8710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607-0.8934 ( 2174 PWs) bands (ev): -24.6214 -24.6212 9.8802 9.8873 11.9563 11.9684 13.2001 13.2174 16.2562 16.2952 17.9856 18.0261 19.7353 19.7526 20.5165 20.5506 22.8157 22.8378 24.0815 24.1043 25.5619 25.6050 27.2942 27.3054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607-0.7520 ( 2168 PWs) bands (ev): -24.6492 -24.6491 8.5319 8.5354 12.3004 12.3124 13.7421 13.7596 16.5824 16.6314 18.3493 18.4158 19.0031 19.0489 20.4756 20.5140 23.7075 23.7372 24.6132 24.6386 25.9025 25.9453 27.2804 27.3296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607-0.6106 ( 2179 PWs) bands (ev): -24.6899 -24.6899 7.0860 7.0953 13.0894 13.1018 14.2376 14.2552 17.0683 17.1170 17.9012 17.9410 18.6011 18.6640 20.3749 20.4213 24.2079 24.2367 24.9153 24.9386 26.5841 26.5970 28.2364 28.2540 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607-0.4692 ( 2176 PWs) bands (ev): -24.7377 -24.7374 5.8512 5.8625 13.8954 13.9019 14.4366 14.4398 17.4322 17.4635 18.0410 18.0741 18.2593 18.2973 20.2470 20.2950 24.3975 24.4322 25.1008 25.1390 27.4227 27.4496 28.6290 28.6590 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607-0.3278 ( 2172 PWs) bands (ev): -24.7843 -24.7839 4.9157 4.9262 13.5379 13.5482 15.2856 15.3089 17.3552 17.3924 18.2217 18.2681 19.0943 19.1397 20.1354 20.1770 24.5485 24.5820 25.4575 25.4947 27.8068 27.8503 29.5361 29.5526 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607-0.1864 ( 2172 PWs) bands (ev): -24.8206 -24.8203 4.3075 4.3150 12.9962 13.0027 15.8963 15.9180 17.6144 17.6522 18.3694 18.3909 19.9777 20.0057 20.1707 20.1959 24.8459 24.8722 25.8909 25.9105 28.2555 28.2821 29.8405 29.8566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0607-0.0450 ( 2179 PWs) bands (ev): -24.8387 -24.8385 4.0341 4.0382 12.7071 12.7105 16.0517 16.0620 18.0632 18.0846 18.3212 18.3307 20.3102 20.3301 20.4174 20.4264 25.1334 25.1426 26.3703 26.3806 28.2403 28.2556 29.1962 29.2025 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 0.1928 ( 2171 PWs) bands (ev): -24.8228 -24.8225 4.2784 4.2859 12.9178 12.9231 15.9535 15.9723 17.8058 17.8331 18.2573 18.2832 19.8876 19.9170 20.1531 20.1743 25.3779 25.3956 25.5601 25.5803 27.9247 27.9584 30.1869 30.1880 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 0.3342 ( 2182 PWs) bands (ev): -24.7848 -24.7844 4.9088 4.9201 13.4803 13.4896 15.4473 15.4706 17.4171 17.4524 18.1016 18.1493 19.0180 19.0618 20.0985 20.1399 24.7440 24.7611 25.1194 25.1300 27.9873 28.0313 29.7605 29.7606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 0.4756 ( 2186 PWs) bands (ev): -24.7364 -24.7361 5.8674 5.8800 14.0042 14.0175 14.4394 14.4529 17.6168 17.6397 17.8539 17.8691 18.1491 18.1699 20.1913 20.2403 24.1694 24.1876 25.0336 25.0361 28.1816 28.2168 28.3906 28.3912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 0.6170 ( 2177 PWs) bands (ev): -24.6871 -24.6870 7.1254 7.1366 13.3920 13.3988 14.0254 14.0427 16.9942 17.0449 18.1755 18.1874 18.3574 18.4176 20.3151 20.3658 23.6879 23.7059 25.1149 25.1262 26.9518 26.9548 28.4320 28.4366 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 0.7584 ( 2174 PWs) bands (ev): -24.6453 -24.6453 8.6075 8.6137 12.5489 12.5525 13.5281 13.5469 16.5108 16.5558 18.4950 18.5602 18.9453 18.9671 20.4944 20.5340 23.2056 23.2236 25.2617 25.2969 25.6567 25.6612 27.0426 27.0765 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 0.8999 ( 2178 PWs) bands (ev): -24.6170 -24.6169 10.1002 10.1024 12.0005 12.0021 12.9862 13.0072 16.2244 16.2570 18.0333 18.0668 19.8293 19.8459 20.5810 20.6001 22.6066 22.6229 24.7312 24.7342 25.0807 25.1070 26.8607 26.8633 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 1.0413 ( 2164 PWs) bands (ev): -24.6055 -24.6054 10.9909 10.9929 11.7833 11.7835 12.7174 12.7225 16.0421 16.0472 17.5669 17.5710 20.4834 20.4898 20.5689 20.5699 22.0579 22.0613 24.3735 24.3739 24.9575 24.9605 27.4385 27.4433 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 1.1827 ( 2178 PWs) bands (ev): -24.6121 -24.6120 10.4433 10.4476 11.9076 11.9088 12.8763 12.8966 16.1585 16.1858 17.8572 17.8826 20.0624 20.0780 20.5759 20.5891 22.4221 22.4367 24.5755 24.5779 25.0219 25.0414 27.0335 27.0400 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486-0.7970 ( 2173 PWs) bands (ev): -24.6361 -24.6360 9.0290 9.0332 12.3680 12.3709 13.3670 13.3864 16.4221 16.4643 18.4286 18.4851 19.1809 19.2005 20.5381 20.5723 23.0585 23.0764 25.2514 25.2903 25.3587 25.3628 26.7907 26.8218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486-0.6556 ( 2170 PWs) bands (ev): -24.6746 -24.6746 7.5126 7.5227 13.1365 13.1422 13.9226 13.9404 16.8295 16.8800 18.3633 18.3674 18.4567 18.5033 20.3582 20.4077 23.5607 23.5787 25.1588 25.1755 26.5766 26.5800 28.2188 28.2381 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486-0.5142 ( 2182 PWs) bands (ev): -24.7227 -24.7224 6.1827 6.1953 14.0751 14.0885 14.1434 14.1559 17.5824 17.6174 17.7483 17.7747 18.1539 18.2022 20.2222 20.2723 24.0330 24.0511 25.0422 25.0428 27.9907 27.9936 28.2681 28.3016 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486-0.3728 ( 2186 PWs) bands (ev): -24.7722 -24.7718 5.1384 5.1503 13.6458 13.6562 15.2021 15.2228 17.4215 17.4543 18.0637 18.1179 18.7145 18.7642 20.1185 20.1627 24.5717 24.5894 25.0762 25.0853 28.0221 28.0659 29.4110 29.4114 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486-0.2314 ( 2169 PWs) bands (ev): -24.8140 -24.8136 4.4170 4.4257 13.0537 13.0601 15.8776 15.8999 17.6487 17.6810 18.2174 18.2492 19.7219 19.7534 20.0973 20.1263 25.2735 25.2853 25.3277 25.3423 27.9372 27.9753 30.3339 30.3361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486-0.0900 ( 2178 PWs) bands (ev): -24.8392 -24.8390 4.0323 4.0360 12.6618 12.6642 16.0317 16.0398 18.2052 18.2143 18.3383 18.3464 20.0050 20.0203 20.4574 20.4655 25.6002 25.6101 26.4184 26.4329 27.8873 27.9051 28.8544 28.8606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0486 0.0514 ( 2188 PWs) bands (ev): -24.8424 -24.8423 3.9865 3.9886 12.6120 12.6134 16.0397 16.0443 18.2922 18.2930 18.3632 18.3634 20.0163 20.0252 20.5307 20.5352 25.6549 25.6608 26.8004 26.8123 27.8743 27.8855 28.3196 28.3277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 0.2892 ( 2169 PWs) bands (ev): -24.7930 -24.7925 4.7869 4.7987 13.3334 13.3398 15.4350 15.4585 17.5576 17.5948 18.3230 18.3571 19.1230 19.1538 19.7373 19.7740 24.3698 24.4054 25.9857 26.0149 28.1344 28.1680 30.1031 30.1305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 0.4306 ( 2176 PWs) bands (ev): -24.7490 -24.7486 5.6318 5.6458 13.8932 13.9025 14.5812 14.5999 17.5059 17.5379 18.1523 18.1802 18.2649 18.2965 19.7520 19.7960 23.9033 23.9338 25.5002 25.5199 28.2552 28.2902 29.4207 29.4563 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 0.5720 ( 2178 PWs) bands (ev): -24.7014 -24.7012 6.7729 6.7862 13.4240 13.4376 14.3202 14.3325 17.1160 17.1568 17.8124 17.8503 18.5296 18.5918 19.8892 19.9417 23.4895 23.5126 25.1842 25.1973 27.6719 27.6916 29.0741 29.0962 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 0.7135 ( 2172 PWs) bands (ev): -24.6586 -24.6586 8.1388 8.1477 12.5838 12.5975 13.9699 13.9845 16.5690 16.6129 18.2546 18.3049 18.8802 18.9277 20.2003 20.2486 23.0290 23.0489 24.9170 24.9396 26.5128 26.5364 28.1182 28.1764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 0.8549 ( 2178 PWs) bands (ev): -24.6272 -24.6272 9.5282 9.5314 12.0757 12.0901 13.3666 13.3799 16.2941 16.3269 18.3589 18.4028 19.2211 19.2338 20.5208 20.5557 22.5007 22.5195 24.5329 24.5623 25.8039 25.8329 27.2831 27.3304 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 0.9963 ( 2171 PWs) bands (ev): -24.6111 -24.6110 10.3912 10.3982 12.1820 12.1907 12.8047 12.8133 16.1224 16.1365 17.9336 17.9458 19.6835 19.6957 20.5670 20.5924 22.0338 22.0416 24.2985 24.3367 25.6553 25.7163 27.6815 27.7080 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 1.1377 ( 2171 PWs) bands (ev): -24.6118 -24.6118 10.3516 10.3588 12.1452 12.1551 12.8520 12.8616 16.1332 16.1495 17.9635 17.9781 19.6581 19.6699 20.5631 20.5892 22.0639 22.0731 24.3098 24.3469 25.6601 25.7184 27.6102 27.6358 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 1.2791 ( 2177 PWs) bands (ev): -24.6295 -24.6294 9.4123 9.4155 12.1013 12.1156 13.4214 13.4348 16.3135 16.3475 18.3877 18.4351 19.1714 19.1860 20.5073 20.5432 22.5499 22.5692 24.5664 24.5959 25.8348 25.8646 27.3053 27.3559 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579-0.7006 ( 2174 PWs) bands (ev): -24.6621 -24.6621 8.0089 8.0185 12.6500 12.6636 14.0193 14.0340 16.6042 16.6487 18.2100 18.2584 18.8609 18.9116 20.1619 20.2116 23.0739 23.0938 24.9455 24.9669 26.6150 26.6358 28.2476 28.3035 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579-0.5592 ( 2180 PWs) bands (ev): -24.7056 -24.7054 6.6583 6.6718 13.5075 13.5209 14.3259 14.3375 17.1828 17.2210 17.7894 17.8263 18.4903 18.5519 19.8730 19.9248 23.5282 23.5519 25.2081 25.2209 27.7646 27.7871 29.0820 29.1090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579-0.4178 ( 2175 PWs) bands (ev): -24.7533 -24.7529 5.5421 5.5560 13.8558 13.8650 14.6609 14.6805 17.5036 17.5365 18.1991 18.2199 18.3145 18.3280 19.7426 19.7859 23.9412 23.9724 25.5367 25.5575 28.2589 28.2938 29.4909 29.5248 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579-0.2764 ( 2173 PWs) bands (ev): -24.7965 -24.7961 4.7259 4.7374 13.2799 13.2860 15.4966 15.5200 17.5772 17.6144 18.3434 18.3763 19.1825 19.2124 19.7579 19.7933 24.4210 24.4568 26.0381 26.0677 28.1110 28.1441 30.1279 30.1552 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579-0.1350 ( 2175 PWs) bands (ev): -24.8264 -24.8261 4.2364 4.2436 12.8063 12.8096 15.9039 15.9192 17.9531 17.9823 18.5007 18.5131 19.4756 19.4902 20.2278 20.2437 25.1606 25.1952 26.5922 26.6122 27.7011 27.7169 29.4915 29.4987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 0.0064 ( 2180 PWs) bands (ev): -24.8364 -24.8362 4.0832 4.0876 12.6439 12.6458 15.9857 15.9939 18.2743 18.2844 18.4101 18.4187 19.5795 19.5923 20.4440 20.4533 26.1004 26.1279 26.2270 26.2518 27.5793 27.6000 28.7545 28.7603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1579 0.1478 ( 2174 PWs) bands (ev): -24.8244 -24.8241 4.2670 4.2747 12.8380 12.8415 15.8847 15.9010 17.9126 17.9430 18.4974 18.5119 19.4595 19.4754 20.1864 20.2036 25.0782 25.1131 26.5564 26.5786 27.7450 27.7637 29.5987 29.6086 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 0.3857 ( 2169 PWs) bands (ev): -24.7546 -24.7541 5.5855 5.6015 13.7756 13.7846 14.3541 14.3812 17.5403 17.5783 18.2283 18.2624 18.5077 18.5546 19.4541 19.4962 23.4090 23.4493 26.5739 26.5891 28.4947 28.5310 29.8590 29.9018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 0.5271 ( 2175 PWs) bands (ev): -24.7132 -24.7129 6.5837 6.5992 13.1103 13.1289 14.5357 14.5452 17.2331 17.2627 17.6308 17.6715 18.7459 18.8017 19.5465 19.5912 23.1078 23.1412 25.8998 25.9150 28.0880 28.1186 29.8335 29.8647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 0.6685 ( 2170 PWs) bands (ev): -24.6741 -24.6741 7.7747 7.7856 12.3098 12.3306 14.4984 14.5110 16.6383 16.6788 17.7717 17.8051 19.0716 19.1163 19.9237 19.9629 22.7776 22.8021 25.2471 25.2644 27.0823 27.1027 29.3258 29.3838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 0.8099 ( 2176 PWs) bands (ev): -24.6437 -24.6436 8.9202 8.9259 11.9251 11.9485 13.9967 14.0061 16.3315 16.3656 18.2154 18.2505 18.9863 19.0059 20.4846 20.5196 22.3557 22.3716 24.5058 24.5288 26.3165 26.3511 28.4551 28.5331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 0.9513 ( 2180 PWs) bands (ev): -24.6255 -24.6254 9.5524 9.5636 12.2642 12.2834 13.4134 13.4169 16.1737 16.1955 18.3037 18.3251 19.0370 19.0510 20.4488 20.4849 21.9526 21.9591 24.1972 24.2290 26.4061 26.4467 28.1548 28.2192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 1.0927 ( 2180 PWs) bands (ev): -24.6215 -24.6214 9.6485 9.6601 12.6270 12.6360 13.1044 13.1101 16.1262 16.1408 18.2250 18.2352 19.1082 19.1302 20.3792 20.4162 21.8280 21.8327 24.1794 24.2149 26.5496 26.6072 28.3033 28.3364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 1.2341 ( 2180 PWs) bands (ev): -24.6321 -24.6320 9.3507 9.3598 12.0181 12.0413 13.6776 13.6839 16.2364 16.2644 18.3416 18.3745 18.9674 18.9795 20.5235 20.5594 22.1209 22.1308 24.2662 24.2940 26.2873 26.3195 28.2002 28.2740 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 1.3755 ( 2174 PWs) bands (ev): -24.6561 -24.6561 8.4324 8.4393 12.0260 12.0481 14.2530 14.2645 16.4403 16.4784 18.0130 18.0459 19.0492 19.0776 20.2793 20.3135 22.5562 22.5763 24.8344 24.8534 26.5553 26.5875 28.8056 28.8809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673-0.6042 ( 2169 PWs) bands (ev): -24.6912 -24.6910 7.2191 7.2326 12.6412 12.6613 14.5935 14.6050 16.8825 16.9207 17.6357 17.6717 18.9790 19.0370 19.6813 19.7287 22.9384 22.9669 25.5525 25.5695 27.5881 27.6063 29.6798 29.7113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673-0.4628 ( 2175 PWs) bands (ev): -24.7322 -24.7318 6.0991 6.1152 13.5161 13.5314 14.3832 14.3952 17.4223 17.4548 17.8582 17.9007 18.5631 18.6139 19.4935 19.5345 23.2401 23.2772 26.1967 26.2107 28.3569 28.3942 29.8583 29.8983 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673-0.3214 ( 2174 PWs) bands (ev): -24.7721 -24.7716 5.2214 5.2365 13.6037 13.6098 14.6908 14.7184 17.6096 17.6488 18.3914 18.3957 18.6791 18.7115 19.4770 19.5217 23.5780 23.6197 26.9049 26.9222 28.4326 28.4627 29.8410 29.8816 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673-0.1800 ( 2179 PWs) bands (ev): -24.8029 -24.8024 4.6430 4.6551 13.1081 13.1111 15.4591 15.4820 17.7602 17.7946 18.6877 18.7065 18.7939 18.8042 19.8364 19.8659 24.1269 24.1663 27.4355 27.4552 27.6711 27.6881 29.9708 29.9978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673-0.0386 ( 2172 PWs) bands (ev): -24.8177 -24.8173 4.3877 4.3972 12.8527 12.8548 15.8210 15.8368 18.0314 18.0570 18.4076 18.4251 19.1136 19.1235 20.0903 20.1141 24.9461 24.9707 26.0962 26.1175 28.1045 28.1236 30.1034 30.1129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 0.1028 ( 2173 PWs) bands (ev): -24.8133 -24.8128 4.4629 4.4734 12.9297 12.9320 15.7155 15.7343 17.9029 17.9326 18.5405 18.5586 19.0036 19.0147 20.0135 20.0383 24.5586 24.5931 26.6673 26.6901 27.9521 27.9726 30.0725 30.0935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2673 0.2442 ( 2175 PWs) bands (ev): -24.7905 -24.7900 4.8668 4.8804 13.3165 13.3204 15.1452 15.1707 17.6794 17.7168 18.5787 18.5872 18.7703 18.7954 19.6456 19.6832 23.8409 23.8823 27.3047 27.3242 28.0516 28.0721 29.8744 29.9071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 0.4821 ( 2173 PWs) bands (ev): -24.7198 -24.7194 6.5778 6.5959 12.5834 12.6016 14.6715 14.6841 17.2473 17.2808 17.7236 17.7555 18.7430 18.7817 19.5190 19.5454 22.7012 22.7392 27.0377 27.0523 28.4821 28.5159 30.2641 30.2935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 0.6235 ( 2173 PWs) bands (ev): -24.6887 -24.6886 7.5479 7.5603 11.8660 11.8873 14.8767 14.8881 16.8569 16.8952 17.3944 17.4243 19.2164 19.2679 19.6644 19.6959 22.5026 22.5268 26.2995 26.3134 27.5858 27.6062 30.2067 30.2568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 0.7649 ( 2176 PWs) bands (ev): -24.6633 -24.6633 8.3622 8.3687 11.6884 11.7133 14.5645 14.5750 16.4444 16.4810 17.7402 17.7620 19.1480 19.1819 20.2575 20.2819 22.2825 22.2894 25.2521 25.2658 26.7945 26.8276 29.5110 29.5880 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 0.9063 ( 2179 PWs) bands (ev): -24.6469 -24.6468 8.6974 8.7109 12.2444 12.2674 14.0554 14.0612 16.2457 16.2763 18.1878 18.2154 18.9498 18.9822 20.2403 20.2775 22.0549 22.0670 24.5081 24.5329 26.8853 26.9156 28.8578 28.9367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 1.0477 ( 2172 PWs) bands (ev): -24.6407 -24.6405 8.7429 8.7582 12.8917 12.8968 13.6514 13.6595 16.1540 16.1786 18.4141 18.4281 18.8362 18.8838 19.9571 20.0119 21.8610 21.8708 24.4339 24.4625 27.5132 27.5616 28.2982 28.3156 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 1.1891 ( 2175 PWs) bands (ev): -24.6450 -24.6449 8.7165 8.7307 12.3903 12.4114 13.9649 13.9703 16.2206 16.2499 18.2523 18.2801 18.9196 18.9536 20.1727 20.2132 22.0065 22.0186 24.4688 24.4948 26.9869 27.0187 28.7457 28.8223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 1.3305 ( 2177 PWs) bands (ev): -24.6596 -24.6596 8.4608 8.4683 11.7395 11.7649 14.4751 14.4848 16.3976 16.4332 17.8253 17.8475 19.1117 19.1445 20.3183 20.3446 22.2444 22.2506 25.0528 25.0685 26.7474 26.7803 29.3822 29.4608 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 1.4719 ( 2176 PWs) bands (ev): -24.6836 -24.6834 7.7198 7.7306 11.7827 11.8045 14.8544 14.8660 16.7615 16.7997 17.4306 17.4575 19.2389 19.2856 19.7660 19.7934 22.4631 22.4842 26.1427 26.1553 27.3904 27.4127 30.1031 30.1605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766-0.5078 ( 2171 PWs) bands (ev): -24.7140 -24.7136 6.7497 6.7673 12.4290 12.4479 14.7429 14.7548 17.2041 17.2392 17.5985 17.6332 18.8354 18.8761 19.5253 19.5520 22.6659 22.7018 26.9062 26.9215 28.3638 28.3950 30.3139 30.3439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766-0.3664 ( 2169 PWs) bands (ev): -24.7459 -24.7454 5.8759 5.8949 13.2982 13.3082 14.3215 14.3416 17.4704 17.5037 18.1633 18.1818 18.5667 18.6000 19.4821 19.5152 22.8894 22.9344 27.6664 27.6791 28.6108 28.6431 29.9293 29.9575 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766-0.2250 ( 2175 PWs) bands (ev): -24.7732 -24.7726 5.2388 5.2563 13.4516 13.4538 14.6658 14.6949 17.7389 17.7738 18.1877 18.1967 18.7575 18.7961 19.5234 19.5683 23.2700 23.3152 27.4101 27.4204 28.4914 28.5142 30.1826 30.2154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766-0.0836 ( 2184 PWs) bands (ev): -24.7895 -24.7890 4.8949 4.9102 13.1892 13.1900 15.3781 15.3992 17.8795 17.9096 18.1902 18.2046 18.7398 18.7727 19.6613 19.7049 23.8126 23.8444 25.9364 25.9519 29.0971 29.1166 30.8954 30.9279 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 0.0578 ( 2181 PWs) bands (ev): -24.7909 -24.7904 4.8659 4.8810 13.1636 13.1641 15.4527 15.4723 17.9012 17.9316 18.1706 18.1822 18.7430 18.7745 19.6767 19.7203 23.9023 23.9288 25.7571 25.7714 29.1548 29.1700 30.9980 31.0228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 0.1993 ( 2177 PWs) bands (ev): -24.7771 -24.7765 5.1535 5.1705 13.3963 13.3981 14.8151 14.8429 17.7709 17.8050 18.1976 18.2091 18.7579 18.7961 19.5496 19.5944 23.3609 23.4048 27.1155 27.1266 28.6296 28.6543 30.3012 30.3374 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3766 0.3407 ( 2172 PWs) bands (ev): -24.7515 -24.7509 5.7401 5.7590 13.4233 13.4292 14.2820 14.3058 17.5259 17.5597 18.1824 18.1945 18.6087 18.6411 19.4763 19.5124 22.9436 22.9894 27.8148 27.8283 28.4983 28.5256 29.9028 29.9293 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 0.5785 ( 2170 PWs) bands (ev): -24.6996 -24.6994 7.4455 7.4586 11.4021 11.4172 15.1395 15.1553 16.9782 17.0012 17.4269 17.4611 18.9861 19.0198 19.6342 19.6478 22.3761 22.3949 27.3635 27.3762 28.3104 28.3306 30.5118 30.5481 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 0.7199 ( 2175 PWs) bands (ev): -24.6832 -24.6832 7.8483 7.8540 11.4917 11.5121 14.9674 14.9801 16.7831 16.8217 17.3372 17.3637 19.2910 19.3376 19.7815 19.8062 22.3871 22.3976 26.5523 26.5573 27.2384 27.2693 30.1620 30.2223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 0.8613 ( 2174 PWs) bands (ev): -24.6724 -24.6722 7.8632 7.8770 12.2734 12.2959 14.5167 14.5265 16.5337 16.5711 17.7758 17.8051 19.0871 19.1305 19.8826 19.9187 22.4765 22.4996 25.1830 25.2020 27.3387 27.3586 29.6548 29.7221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 1.0027 ( 2172 PWs) bands (ev): -24.6673 -24.6671 7.7876 7.8042 13.1275 13.1395 14.1083 14.1174 16.4066 16.4421 18.2222 18.2548 18.7347 18.8004 19.6771 19.7430 22.3157 22.3308 24.8188 24.8391 28.0521 28.0737 28.9988 29.0557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 1.1441 ( 2169 PWs) bands (ev): -24.6678 -24.6676 7.7973 7.8137 13.0069 13.0219 14.1695 14.1783 16.4214 16.4573 18.1479 18.1829 18.8052 18.8668 19.7038 19.7658 22.3513 22.3680 24.8328 24.8534 27.8841 27.9039 29.1448 29.2070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 1.2855 ( 2173 PWs) bands (ev): -24.6739 -24.6738 7.8760 7.8888 12.1028 12.1258 14.6016 14.6120 16.5681 16.6057 17.6901 17.7177 19.1356 19.1773 19.9062 19.9377 22.4709 22.4937 25.3621 25.3795 27.2768 27.2982 29.7494 29.8160 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 1.4269 ( 2177 PWs) bands (ev): -24.6858 -24.6858 7.8096 7.8144 11.4137 11.4328 15.0319 15.0449 16.8437 16.8825 17.2804 17.3100 19.2966 19.3462 19.7172 19.7440 22.3771 22.3843 26.8328 26.8394 27.2964 27.3317 30.2483 30.3059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 1.5683 ( 2169 PWs) bands (ev): -24.7030 -24.7028 7.3303 7.3455 11.4712 11.4860 15.1147 15.1317 16.9832 17.0055 17.5416 17.5736 18.8756 18.9070 19.6423 19.6548 22.3826 22.4053 27.4333 27.4463 28.5357 28.5553 30.5202 30.5504 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859-0.4114 ( 2172 PWs) bands (ev): -24.7233 -24.7228 6.6215 6.6433 12.1801 12.1954 14.7500 14.7714 17.1490 17.1756 18.2077 18.2351 18.3645 18.3929 19.6358 19.6531 22.4535 22.4937 27.9032 27.9089 28.9126 28.9249 30.3556 30.3566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859-0.2700 ( 2177 PWs) bands (ev): -24.7427 -24.7420 5.9898 6.0123 13.1365 13.1477 14.3518 14.3776 17.4649 17.4936 18.0761 18.1002 18.5675 18.6040 19.5390 19.5701 22.6395 22.6864 27.2840 27.2959 28.9210 28.9513 30.6627 30.6821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859-0.1286 ( 2180 PWs) bands (ev): -24.7564 -24.7557 5.5840 5.6051 13.5282 13.5345 14.6629 14.6898 17.6759 17.7140 17.9403 17.9726 18.5093 18.5584 19.4595 19.5036 22.9008 22.9372 25.8106 25.8212 29.9538 29.9960 31.0953 31.1434 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 0.0129 ( 2177 PWs) bands (ev): -24.7607 -24.7601 5.4620 5.4824 13.4917 13.4967 15.0519 15.0680 17.6036 17.6290 17.9663 17.9929 18.4578 18.5086 19.4448 19.4934 23.0190 23.0365 25.2721 25.2775 30.4470 30.4549 31.4233 31.4339 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 0.1543 ( 2181 PWs) bands (ev): -24.7545 -24.7539 5.6376 5.6590 13.5249 13.5317 14.5415 14.5704 17.6667 17.7026 17.9526 17.9826 18.5302 18.5779 19.4685 19.5107 22.8569 22.8967 26.0327 26.0432 29.7701 29.8109 31.0142 31.0589 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 0.2957 ( 2176 PWs) bands (ev): -24.7394 -24.7388 6.0905 6.1131 12.9705 12.9830 14.3998 14.4242 17.4051 17.4334 18.1123 18.1364 18.5428 18.5763 19.5589 19.5872 22.5954 22.6422 27.5678 27.5823 28.7685 28.7979 30.5867 30.6008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4859 0.4371 ( 2175 PWs) bands (ev): -24.7196 -24.7191 6.7513 6.7725 12.0194 12.0348 14.8339 14.8547 17.1024 17.1284 18.1011 18.1279 18.4362 18.4646 19.6455 19.6610 22.4344 22.4721 27.8101 27.8188 28.9854 29.0018 30.3647 30.3682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-0.3857 ( 2170 PWs) bands (ev): -24.7002 -24.7002 7.3786 7.3834 11.4586 11.4739 15.2115 15.2238 16.9513 16.9670 17.4660 17.5041 19.0003 19.0381 19.6108 19.6279 22.5059 22.5190 27.4051 27.4113 28.1028 28.1259 30.1488 30.1855 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-0.2442 ( 2176 PWs) bands (ev): -24.6985 -24.6983 7.0979 7.1108 12.4044 12.4249 14.7611 14.7720 17.0280 17.0618 17.4867 17.5234 19.0379 19.0943 19.6028 19.6441 22.8686 22.8987 26.1656 26.1796 27.6402 27.6619 29.8496 29.8791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-0.1028 ( 2172 PWs) bands (ev): -24.6984 -24.6981 6.8785 6.8942 13.4016 13.4167 14.3411 14.3514 16.9598 16.9988 17.8330 17.8726 18.6013 18.6642 19.6610 19.7163 23.0516 23.0742 25.1848 25.1995 28.1498 28.1701 29.6417 29.6624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074 0.0386 ( 2178 PWs) bands (ev): -24.6984 -24.6981 6.8341 6.8501 13.7037 13.7140 14.1965 14.2070 16.9462 16.9869 17.9822 18.0140 18.3925 18.4563 19.6897 19.7463 22.9991 23.0157 25.0887 25.1000 28.4342 28.4459 29.5880 29.6010 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074 0.1800 ( 2170 PWs) bands (ev): -24.6984 -24.6981 6.9806 6.9951 12.8857 12.9049 14.5555 14.5661 16.9916 17.0280 17.6416 17.6793 18.8706 18.9305 19.6251 19.6746 23.0201 23.0497 25.5680 25.5848 27.8169 27.8388 29.7406 29.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074 0.3214 ( 2172 PWs) bands (ev): -24.6991 -24.6990 7.2572 7.2666 11.8465 11.8656 15.0203 15.0317 17.0340 17.0609 17.3843 17.4242 19.1050 19.1546 19.5844 19.6143 22.6470 22.6703 27.0711 27.0744 27.5856 27.6127 30.0074 30.0417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074 0.4628 ( 2172 PWs) bands (ev): -24.7023 -24.7022 7.4570 7.4616 11.1625 11.1707 15.3456 15.3620 16.8499 16.8545 17.7027 17.7365 18.7304 18.7599 19.6724 19.6795 22.4016 22.4056 27.4572 27.4640 29.0485 29.0658 30.2859 30.3211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074 0.6042 ( 2177 PWs) bands (ev): -24.7085 -24.7081 7.2723 7.2923 11.2779 11.2887 15.1829 15.2100 16.9057 16.9238 18.0718 18.0899 18.4095 18.4285 19.7200 19.7269 22.2933 22.3194 27.6077 27.6123 29.4857 29.4904 30.5269 30.5513 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-1.3755 ( 2179 PWs) bands (ev): -24.7164 -24.7158 6.8160 6.8420 12.1300 12.1475 14.7284 14.7556 17.1827 17.2141 17.8015 17.8239 18.6996 18.7348 19.6295 19.6482 22.2594 22.3002 27.1178 27.1346 28.8719 28.8996 31.1940 31.2054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-1.2341 ( 2175 PWs) bands (ev): -24.7234 -24.7228 6.4094 6.4355 13.2699 13.2867 14.3663 14.3928 17.2070 17.2533 17.8622 17.8987 18.5632 18.6109 19.4712 19.5027 22.2435 22.2801 25.7042 25.7142 29.8574 29.8834 31.7274 31.7518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-1.0927 ( 2166 PWs) bands (ev): -24.7270 -24.7264 6.2174 6.2426 13.8434 13.8550 14.5103 14.5262 16.8815 16.9030 18.0768 18.1058 18.3822 18.4233 19.3748 19.4149 22.1590 22.1780 25.0175 25.0209 31.2311 31.2652 31.6682 31.7051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-0.9513 ( 2176 PWs) bands (ev): -24.7256 -24.7250 6.2907 6.3163 13.6716 13.6871 14.3509 14.3783 17.0574 17.0954 17.9785 18.0169 18.4544 18.5030 19.4124 19.4488 22.2045 22.2329 25.2726 25.2800 30.4933 30.5220 31.8214 31.8532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-0.8099 ( 2180 PWs) bands (ev): -24.7199 -24.7192 6.6114 6.6378 12.6460 12.6640 14.5325 14.5587 17.2620 17.3044 17.7731 17.7985 18.6826 18.7239 19.5587 19.5834 22.2601 22.3017 26.4423 26.4553 29.2102 29.2361 31.4686 31.4840 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-0.6685 ( 2172 PWs) bands (ev): -24.7120 -24.7115 7.0766 7.1005 11.5975 11.6125 14.9864 15.0145 17.0246 17.0481 17.9306 17.9575 18.5770 18.6064 19.6939 19.7059 22.2685 22.3030 27.6006 27.6131 29.0015 29.0202 30.8336 30.8510 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6074-0.5271 ( 2175 PWs) bands (ev): -24.7048 -24.7045 7.4268 7.4390 11.1051 11.1101 15.3351 15.3573 16.8305 16.8397 17.9493 17.9757 18.4859 18.5107 19.7113 19.7148 22.3422 22.3561 27.5155 27.5212 29.5995 29.6106 30.3205 30.3494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-0.2892 ( 2172 PWs) bands (ev): -24.7217 -24.7215 6.4602 6.4718 12.6559 12.6754 14.8001 14.8088 17.1910 17.2198 17.8645 17.9043 18.7840 18.8291 19.5044 19.5379 23.0593 23.0895 27.1353 27.1498 27.7387 27.7595 29.6708 29.6969 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-0.1478 ( 2182 PWs) bands (ev): -24.7298 -24.7295 6.0923 6.1061 13.6836 13.6966 14.3976 14.4059 17.4091 17.4329 17.8702 17.9137 18.4617 18.5169 19.6961 19.7415 23.6469 23.6793 25.7097 25.7276 27.9219 27.9519 29.3608 29.3980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-0.0064 ( 2189 PWs) bands (ev): -24.7331 -24.7327 5.9573 5.9716 14.0220 14.0330 14.4125 14.4256 17.6705 17.6900 17.7313 17.7639 18.1540 18.1953 19.8919 19.9395 23.7815 23.7985 25.1626 25.1639 28.6610 28.6905 28.8100 28.8314 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980 0.1350 ( 2180 PWs) bands (ev): -24.7303 -24.7300 6.0700 6.0839 13.7551 13.7667 14.3785 14.3869 17.4290 17.4519 17.8692 17.9128 18.4186 18.4743 19.7214 19.7672 23.6823 23.7139 25.6083 25.6260 27.9783 28.0095 29.3232 29.3616 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980 0.2764 ( 2169 PWs) bands (ev): -24.7226 -24.7224 6.4183 6.4302 12.7568 12.7762 14.7546 14.7633 17.2140 17.2429 17.8603 17.9006 18.7757 18.8224 19.5107 19.5461 23.1153 23.1464 27.0377 27.0517 27.6836 27.7048 29.6466 29.6736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980 0.4178 ( 2166 PWs) bands (ev): -24.7127 -24.7127 6.9414 6.9473 11.7113 11.7274 15.2506 15.2611 16.9272 16.9492 18.0279 18.0585 18.5780 18.6062 19.5691 19.5823 22.6278 22.6424 27.2714 27.2810 29.1803 29.2017 29.8977 29.9100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980 0.5592 ( 2172 PWs) bands (ev): -24.7040 -24.7038 7.4301 7.4383 11.0918 11.0979 15.4285 15.4536 16.8066 16.8090 17.8858 17.9169 18.6136 18.6422 19.6774 19.6828 22.3742 22.3814 27.2688 27.2742 29.5329 29.5470 30.2560 30.2919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980 0.7006 ( 2180 PWs) bands (ev): -24.6982 -24.6978 7.5228 7.5470 11.3371 11.3542 15.0781 15.1090 17.0172 17.0488 17.4994 17.5252 18.9718 19.0089 19.6668 19.6819 22.1596 22.1842 26.9360 26.9512 28.5354 28.5534 30.8357 30.8697 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-1.2791 ( 2179 PWs) bands (ev): -24.6953 -24.6947 7.2847 7.3135 12.3930 12.4153 14.6137 14.6384 16.8670 16.9139 17.7276 17.7534 18.8280 18.8753 19.5589 19.5853 21.9125 21.9412 25.6074 25.6206 29.1697 29.1835 31.2534 31.2985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-1.1377 ( 2170 PWs) bands (ev): -24.6943 -24.6937 7.0768 7.1052 13.6647 13.6839 14.2954 14.3160 16.3018 16.3308 18.0966 18.1284 18.5198 18.5638 19.4337 19.4673 21.6023 21.6216 24.7985 24.8043 30.6002 30.6239 31.3851 31.4411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-0.9963 ( 2168 PWs) bands (ev): -24.6943 -24.6937 7.0667 7.0950 13.7593 13.7778 14.2731 14.2934 16.2497 16.2758 18.1150 18.1457 18.5073 18.5491 19.4274 19.4614 21.5813 21.5999 24.7658 24.7707 30.7337 30.7612 31.3880 31.4452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-0.8549 ( 2181 PWs) bands (ev): -24.6951 -24.6946 7.2605 7.2893 12.5106 12.5330 14.5772 14.6013 16.8282 16.8741 17.7677 17.7942 18.7954 18.8433 19.5456 19.5729 21.8852 21.9133 25.4997 25.5125 29.2812 29.2947 31.2759 31.3223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-0.7135 ( 2176 PWs) bands (ev): -24.6978 -24.6974 7.5089 7.5339 11.4066 11.4247 15.0344 15.0649 17.0314 17.0671 17.4885 17.5129 18.9817 19.0199 19.6606 19.6769 22.1396 22.1653 26.8353 26.8511 28.5252 28.5435 30.8840 30.9180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-0.5720 ( 2172 PWs) bands (ev): -24.7034 -24.7031 7.4590 7.4689 11.0734 11.0794 15.4143 15.4409 16.8159 16.8196 17.8402 17.8724 18.6552 18.6848 19.6816 19.6874 22.3545 22.3635 27.2689 27.2742 29.4352 29.4484 30.3120 30.3491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4980-0.4306 ( 2166 PWs) bands (ev): -24.7118 -24.7118 6.9925 6.9975 11.6303 11.6457 15.2878 15.2990 16.9025 16.9232 18.0525 18.0805 18.5420 18.5678 19.5817 19.5934 22.5983 22.6110 27.2691 27.2782 29.3159 29.3407 29.9148 29.9250 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-0.1928 ( 2166 PWs) bands (ev): -24.7573 -24.7569 5.4827 5.4946 13.8178 13.8220 14.4683 14.4815 17.3849 17.4208 18.4584 18.5050 18.5728 18.6228 19.6188 19.6592 23.8793 23.9129 26.3420 26.3768 27.7056 27.7343 29.4328 29.4559 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-0.0514 ( 2179 PWs) bands (ev): -24.7671 -24.7667 5.2391 5.2511 13.7168 13.7274 15.0462 15.0660 17.4274 17.4601 18.0973 18.1525 18.6111 18.6623 20.0743 20.1186 24.4458 24.4754 25.1872 25.2134 27.9782 28.0201 29.3105 29.3260 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887 0.0900 ( 2175 PWs) bands (ev): -24.7655 -24.7651 5.2777 5.2897 13.7507 13.7611 14.9178 14.9378 17.4185 17.4524 18.1794 18.2327 18.6063 18.6567 19.9770 20.0201 24.3318 24.3655 25.4207 25.4525 27.8831 27.9222 29.3513 29.3736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887 0.2314 ( 2170 PWs) bands (ev): -24.7529 -24.7526 5.5974 5.6091 13.6995 13.7092 14.4236 14.4283 17.3646 17.4006 18.5022 18.5135 18.6207 18.6431 19.4969 19.5371 23.6808 23.7136 26.6584 26.6914 27.7859 27.8096 29.4422 29.4618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887 0.3728 ( 2170 PWs) bands (ev): -24.7329 -24.7327 6.1835 6.1931 12.7045 12.7244 14.8420 14.8514 17.1877 17.2200 18.3888 18.4086 18.6236 18.6351 19.3720 19.3983 23.0517 23.0767 26.9862 27.0000 28.8037 28.8456 29.5558 29.5698 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887 0.5142 ( 2168 PWs) bands (ev): -24.7104 -24.7104 6.9734 6.9768 11.7247 11.7417 15.2905 15.3090 16.9275 16.9469 17.8801 17.9190 18.7943 18.8333 19.5562 19.5763 22.6915 22.7026 26.9745 26.9814 28.7757 28.7912 29.8239 29.8450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887 0.6556 ( 2179 PWs) bands (ev): -24.6904 -24.6901 7.7332 7.7447 11.2234 11.2387 15.1900 15.2199 16.9510 16.9782 17.4243 17.4523 19.1321 19.1814 19.6914 19.7179 22.3919 22.3962 26.7519 26.7584 27.9331 27.9526 29.8275 29.8670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887 0.7970 ( 2174 PWs) bands (ev): -24.6754 -24.6750 8.0359 8.0618 11.6729 11.6971 14.7143 14.7378 16.7333 16.7824 17.7214 17.7457 18.9870 19.0338 19.7376 19.7683 21.9930 22.0043 25.5351 25.5501 28.2213 28.2385 29.8710 29.9322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-1.1827 ( 2181 PWs) bands (ev): -24.6667 -24.6663 7.9625 7.9907 12.8964 12.9199 14.3286 14.3429 16.1639 16.2020 18.0953 18.1270 18.6374 18.6790 19.6384 19.6720 21.5175 21.5294 24.5946 24.6064 29.2048 29.2415 30.1647 30.2138 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-1.0413 ( 2175 PWs) bands (ev): -24.6644 -24.6640 7.9124 7.9403 13.6279 13.6374 14.2040 14.2127 15.6913 15.7107 18.0375 18.0579 18.7282 18.7607 19.5936 19.6301 21.2987 21.3108 24.3670 24.3724 29.4429 29.4946 31.0968 31.1137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-0.8999 ( 2181 PWs) bands (ev): -24.6685 -24.6680 7.9923 8.0205 12.5338 12.5587 14.4116 14.4282 16.3587 16.4012 18.0530 18.0858 18.6766 18.7220 19.6675 19.7003 21.6457 21.6577 24.7761 24.7898 28.9654 28.9955 29.9970 30.0585 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-0.7584 ( 2173 PWs) bands (ev): -24.6789 -24.6785 8.0097 8.0330 11.4454 11.4676 14.8483 14.8743 16.8308 16.8808 17.5842 17.6072 19.0826 19.1305 19.7445 19.7741 22.1122 22.1220 25.9003 25.9143 28.0114 28.0272 29.8605 29.9162 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-0.6170 ( 2177 PWs) bands (ev): -24.6954 -24.6952 7.5543 7.5610 11.2840 11.2983 15.2800 15.3087 16.9278 16.9400 17.4967 17.5319 19.0694 19.1172 19.6592 19.6838 22.4813 22.4852 26.8854 26.8909 28.1482 28.1675 29.8134 29.8495 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-0.4756 ( 2171 PWs) bands (ev): -24.7165 -24.7164 6.7456 6.7513 11.9631 11.9814 15.2036 15.2184 16.9829 17.0077 18.0512 18.0864 18.6963 18.7303 19.5071 19.5268 22.7721 22.7869 26.9842 26.9922 28.8900 28.9135 29.8175 29.8281 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3887-0.3342 ( 2166 PWs) bands (ev): -24.7388 -24.7386 5.9993 6.0098 13.0004 13.0198 14.6938 14.7019 17.2552 17.2891 18.4193 18.4467 18.6666 18.6897 19.3478 19.3804 23.1954 23.2235 26.9697 26.9872 28.5574 28.5905 29.4823 29.4901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794-0.0964 ( 2167 PWs) bands (ev): -24.7956 -24.7952 4.7168 4.7266 13.3783 13.3877 15.5072 15.5321 17.3817 17.4210 18.2657 18.3059 19.3701 19.4104 20.1246 20.1624 24.6144 24.6469 25.5685 25.6025 27.9206 27.9622 29.7417 29.7591 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794 0.0450 ( 2175 PWs) bands (ev): -24.7986 -24.7983 4.6610 4.6706 13.3181 13.3274 15.6639 15.6899 17.3943 17.4325 18.1589 18.2007 19.4009 19.4404 20.2919 20.3332 24.7920 24.8219 25.2751 25.3082 27.8945 27.9402 29.8829 29.8930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794 0.1864 ( 2171 PWs) bands (ev): -24.7853 -24.7850 4.9122 4.9224 13.5714 13.5808 15.0432 15.0660 17.3730 17.4127 18.5143 18.5533 19.2560 19.3003 19.6916 19.7254 24.2446 24.2766 26.1246 26.1519 28.1598 28.1842 29.3781 29.3923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794 0.3278 ( 2169 PWs) bands (ev): -24.7591 -24.7588 5.4678 5.4782 13.6734 13.6836 14.4545 14.4553 17.3466 17.3837 18.6175 18.6595 18.9400 18.9645 19.2823 19.3283 23.6544 23.6832 26.5658 26.5848 28.3958 28.4305 29.3099 29.3207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794 0.4692 ( 2172 PWs) bands (ev): -24.7260 -24.7258 6.3100 6.3184 12.7269 12.7466 14.8744 14.8897 17.1533 17.1825 18.0843 18.1275 18.7644 18.8137 19.5579 19.5941 23.2804 23.3011 26.6858 26.7089 27.7363 27.7541 29.4367 29.4601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794 0.6106 ( 2180 PWs) bands (ev): -24.6929 -24.6928 7.3637 7.3655 11.8455 11.8638 15.0031 15.0283 17.0083 17.0270 17.5576 17.5758 19.0836 19.1438 19.7874 19.8240 22.9886 23.0023 26.4915 26.5198 27.1133 27.1430 29.0237 29.0447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794 0.7520 ( 2178 PWs) bands (ev): -24.6656 -24.6653 8.3421 8.3553 11.5087 11.5304 14.5744 14.5959 16.7349 16.7864 17.8365 17.8681 19.0978 19.1441 19.9181 19.9527 22.5263 22.5338 25.4587 25.4701 27.2148 27.2460 28.6846 28.7500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794 0.8934 ( 2178 PWs) bands (ev): -24.6473 -24.6470 8.7531 8.7767 12.1855 12.2110 14.0854 14.0971 16.3254 16.3700 18.1575 18.2065 18.8033 18.8187 19.9107 19.9484 21.9052 21.9067 24.4574 24.4757 27.7014 27.7420 29.0253 29.0626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794-1.0863 ( 2172 PWs) bands (ev): -24.6396 -24.6393 8.7784 8.8022 13.2703 13.2804 13.7325 13.7338 15.7662 15.7875 17.7682 17.7834 19.1615 19.2006 19.8853 19.9340 21.4283 21.4339 24.0733 24.0882 27.7960 27.8598 30.0721 30.1087 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794-0.9448 ( 2174 PWs) bands (ev): -24.6432 -24.6429 8.7776 8.8016 12.6152 12.6381 13.9460 13.9542 16.1097 16.1481 17.9864 18.0204 18.9439 18.9670 19.8974 19.9383 21.6834 21.6864 24.2475 24.2649 27.7661 27.8185 29.4135 29.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794-0.8034 ( 2180 PWs) bands (ev): -24.6578 -24.6575 8.5700 8.5888 11.6318 11.6563 14.3828 14.4008 16.6070 16.6571 18.0401 18.0796 18.9513 18.9868 19.9273 19.9625 22.3097 22.3147 25.0326 25.0480 27.4139 27.4469 28.6810 28.7518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794-0.6620 ( 2177 PWs) bands (ev): -24.6821 -24.6820 7.7547 7.7579 11.6320 11.6504 14.8868 14.9124 16.9318 16.9740 17.5677 17.5853 19.1576 19.2157 19.8494 19.8849 22.8470 22.8586 26.2044 26.2233 27.0387 27.0697 28.8716 28.9036 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794-0.5206 ( 2176 PWs) bands (ev): -24.7136 -24.7135 6.6764 6.6830 12.3721 12.3915 14.9969 15.0161 17.0813 17.1021 17.8312 17.8737 18.8704 18.9259 19.6520 19.6886 23.1805 23.1983 26.6710 26.6964 27.4946 27.5120 29.3029 29.3299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794-0.3792 ( 2168 PWs) bands (ev): -24.7475 -24.7472 5.7429 5.7529 13.3705 13.3881 14.5703 14.5788 17.2956 17.3307 18.5162 18.5434 18.7661 18.7837 19.3728 19.4117 23.4921 23.5183 26.6328 26.6526 28.1667 28.1935 29.4682 29.4782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2794-0.2378 ( 2167 PWs) bands (ev): -24.7770 -24.7767 5.0793 5.0898 13.7032 13.7112 14.7335 14.7539 17.3732 17.4124 18.6231 18.6640 19.1744 19.2153 19.4411 19.4816 24.0157 24.0473 26.3498 26.3721 28.4075 28.4305 29.1873 29.1884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1701-0.0000 ( 2171 PWs) bands (ev): -24.8244 -24.8241 4.2438 4.2507 12.9391 12.9455 16.0011 16.0218 17.7088 17.7379 18.2066 18.2335 20.0364 20.0609 20.4494 20.4825 24.8791 24.8866 25.7359 25.7547 28.0742 28.1111 30.3670 30.3711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1701 0.1414 ( 2169 PWs) bands (ev): -24.8143 -24.8140 4.4057 4.4138 13.1146 13.1222 15.7642 15.7881 17.4845 17.5262 18.4478 18.4672 19.8888 19.9151 20.0815 20.1080 24.6599 24.6863 25.9062 25.9230 28.5352 28.5558 29.4810 29.4997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1701 0.2828 ( 2168 PWs) bands (ev): -24.7863 -24.7860 4.8918 4.9018 13.5682 13.5777 15.0551 15.0776 17.3560 17.3959 18.5294 18.5671 19.3119 19.3552 19.7158 19.7478 24.2632 24.2931 26.0517 26.0765 28.2266 28.2494 29.3410 29.3505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1701 0.4242 ( 2172 PWs) bands (ev): -24.7468 -24.7466 5.6971 5.7075 13.6792 13.6899 14.5131 14.5176 17.3066 17.3404 18.3828 18.4074 18.5120 18.5397 19.8446 19.8852 23.9977 24.0227 26.0383 26.0809 27.3061 27.3399 29.1974 29.2205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1701 0.5656 ( 2175 PWs) bands (ev): -24.7040 -24.7039 6.7950 6.8029 12.7717 12.7889 14.6653 14.6849 17.1787 17.1877 17.7147 17.7287 18.7829 18.8451 20.0427 20.0846 23.8413 23.8611 25.7426 25.7822 26.7253 26.7490 28.6389 28.6672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1701 0.7070 ( 2176 PWs) bands (ev): -24.6657 -24.6656 8.0860 8.0867 12.0018 12.0194 14.3244 14.3441 16.7736 16.8256 17.9560 18.0002 19.0813 19.1402 20.1592 20.1987 23.4548 23.4709 25.1241 25.1411 26.4467 26.4845 27.9984 28.0431 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1701 0.8484 ( 2168 PWs) bands (ev): -24.6375 -24.6373 9.2000 9.2128 11.8440 11.8659 13.7730 13.7867 16.4192 16.4660 18.2259 18.2857 19.1421 19.1625 20.1929 20.2321 22.6633 22.6746 24.3629 24.3813 26.4691 26.5060 27.9338 27.9661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1701 0.9898 ( 2170 PWs) bands (ev): -24.6227 -24.6225 9.6056 9.6225 12.6073 12.6200 13.3118 13.3187 16.0103 16.0375 17.6174 17.6390 19.7272 19.7763 20.2063 20.2724 21.8604 21.8627 23.9217 23.9488 26.3775 26.4457 28.7084 28.7460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 0.1928 ( 2168 PWs) bands (ev): -24.8045 -24.8041 4.5810 4.5908 13.2352 13.2424 15.5086 15.5327 17.4997 17.5407 18.5747 18.5955 19.4893 19.5090 19.7773 19.8051 24.4520 24.4885 26.3854 26.4060 28.4482 28.4610 29.3057 29.3315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 0.3342 ( 2165 PWs) bands (ev): -24.7717 -24.7714 5.1851 5.1968 13.7324 13.7408 14.7002 14.7220 17.4109 17.4489 18.4962 18.5418 18.8814 18.9290 19.5664 19.6061 23.9911 24.0264 26.4138 26.4460 27.9579 27.9847 29.4508 29.4721 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 0.4756 ( 2175 PWs) bands (ev): -24.7304 -24.7302 6.0979 6.1094 13.4082 13.4243 14.5370 14.5469 17.3094 17.3381 17.9891 18.0330 18.5780 18.6310 19.7453 19.7880 23.7292 23.7591 26.1198 26.1496 27.3608 27.3836 29.2210 29.2508 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 0.6170 ( 2174 PWs) bands (ev): -24.6888 -24.6887 7.2709 7.2788 12.4914 12.5094 14.5967 14.6153 16.9875 17.0288 17.6719 17.7030 18.9551 19.0150 19.9677 20.0115 23.4797 23.5034 25.5859 25.6020 26.8146 26.8340 28.7915 28.8048 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 0.7584 ( 2177 PWs) bands (ev): -24.6539 -24.6538 8.5402 8.5435 11.8918 11.9117 14.1469 14.1628 16.5726 16.6193 18.1099 18.1570 19.0679 19.1048 20.2420 20.2790 22.9822 23.0006 24.8347 24.8488 26.3794 26.4180 28.1477 28.2143 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 0.8999 ( 2175 PWs) bands (ev): -24.6305 -24.6303 9.4203 9.4344 12.0496 12.0716 13.6068 13.6167 16.2538 16.2905 18.1267 18.1667 19.2170 19.2244 20.3043 20.3447 22.2560 22.2672 24.1787 24.2041 26.4056 26.4480 28.1891 28.2225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 1.0413 ( 2177 PWs) bands (ev): -24.6210 -24.6209 9.6349 9.6502 12.8767 12.8832 13.0781 13.0805 15.9781 15.9919 17.7122 17.7217 19.5680 19.6003 20.3384 20.3855 21.7319 21.7346 23.9535 23.9842 26.4255 26.4943 28.9269 28.9683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 1.1827 ( 2171 PWs) bands (ev): -24.6265 -24.6263 9.5288 9.5440 12.2523 12.2719 13.4724 13.4803 16.1625 16.1945 17.9793 18.0095 19.3458 19.3627 20.3032 20.3457 22.0653 22.0742 24.0778 24.1055 26.4171 26.4699 28.3742 28.3987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215-0.7970 ( 2179 PWs) bands (ev): -24.6463 -24.6461 8.8471 8.8534 11.8387 11.8598 13.9936 14.0080 16.4837 16.5284 18.2232 18.2756 19.0439 19.0719 20.2852 20.3224 22.7936 22.8106 24.6177 24.6348 26.3624 26.3983 28.0511 28.1168 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215-0.6556 ( 2178 PWs) bands (ev): -24.6783 -24.6783 7.6201 7.6263 12.2809 12.2990 14.5095 14.5283 16.8576 16.9049 17.7563 17.7922 19.0329 19.0891 20.0436 20.0854 23.3772 23.3993 25.4054 25.4196 26.6506 26.6767 28.6248 28.6527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215-0.5142 ( 2176 PWs) bands (ev): -24.7188 -24.7186 6.3956 6.4065 13.1494 13.1667 14.6069 14.6201 17.2668 17.2850 17.7959 17.8344 18.6700 18.7270 19.8018 19.8455 23.6711 23.6993 25.9924 26.0176 27.2273 27.2467 29.1069 29.1371 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215-0.3728 ( 2165 PWs) bands (ev): -24.7610 -24.7606 5.4045 5.4164 13.8155 13.8209 14.5087 14.5251 17.3926 17.4290 18.4658 18.5152 18.6471 18.6984 19.6031 19.6433 23.9049 23.9389 26.3637 26.3982 27.7645 27.7932 29.4470 29.4693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215-0.2314 ( 2170 PWs) bands (ev): -24.7969 -24.7965 4.7140 4.7244 13.3634 13.3713 15.3125 15.3370 17.4615 17.5025 18.5900 18.6170 19.3623 19.3889 19.6615 19.6947 24.3028 24.3395 26.4337 26.4564 28.4558 28.4727 29.2465 29.2738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215-0.0900 ( 2167 PWs) bands (ev): -24.8187 -24.8184 4.3443 4.3524 12.9897 12.9954 15.8597 15.8806 17.6776 17.7136 18.3900 18.4131 19.7845 19.8145 20.0537 20.0758 24.9315 24.9662 26.0144 26.0412 28.0523 28.0801 29.9049 29.9229 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1215 0.0514 ( 2167 PWs) bands (ev): -24.8214 -24.8211 4.2999 4.3076 12.9415 12.9469 15.9233 15.9428 17.7537 17.7855 18.3100 18.3351 19.8534 19.8834 20.1188 20.1401 25.1401 25.1734 25.7960 25.8256 27.9647 27.9966 30.0865 30.0988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 0.2892 ( 2169 PWs) bands (ev): -24.7930 -24.7925 4.7869 4.7987 13.3334 13.3398 15.4350 15.4585 17.5576 17.5948 18.3230 18.3571 19.1230 19.1538 19.7373 19.7740 24.3698 24.4054 25.9857 26.0149 28.1344 28.1680 30.1031 30.1305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 0.4306 ( 2176 PWs) bands (ev): -24.7490 -24.7486 5.6318 5.6458 13.8932 13.9025 14.5812 14.5999 17.5059 17.5379 18.1523 18.1802 18.2649 18.2965 19.7520 19.7960 23.9033 23.9338 25.5002 25.5199 28.2552 28.2902 29.4207 29.4563 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 0.5720 ( 2178 PWs) bands (ev): -24.7014 -24.7012 6.7729 6.7862 13.4240 13.4376 14.3202 14.3325 17.1160 17.1568 17.8124 17.8503 18.5296 18.5918 19.8892 19.9417 23.4895 23.5126 25.1842 25.1973 27.6719 27.6916 29.0741 29.0962 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 0.7135 ( 2172 PWs) bands (ev): -24.6586 -24.6586 8.1388 8.1477 12.5838 12.5975 13.9699 13.9845 16.5690 16.6129 18.2546 18.3049 18.8802 18.9277 20.2003 20.2486 23.0290 23.0489 24.9170 24.9396 26.5128 26.5364 28.1182 28.1764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 0.8549 ( 2178 PWs) bands (ev): -24.6272 -24.6272 9.5282 9.5314 12.0757 12.0901 13.3666 13.3799 16.2941 16.3269 18.3589 18.4028 19.2211 19.2338 20.5208 20.5557 22.5007 22.5195 24.5329 24.5623 25.8039 25.8329 27.2831 27.3304 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 0.9963 ( 2171 PWs) bands (ev): -24.6111 -24.6110 10.3912 10.3982 12.1820 12.1907 12.8047 12.8133 16.1224 16.1365 17.9336 17.9458 19.6835 19.6957 20.5670 20.5924 22.0338 22.0416 24.2985 24.3367 25.6553 25.7163 27.6815 27.7080 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 1.1377 ( 2171 PWs) bands (ev): -24.6118 -24.6118 10.3516 10.3588 12.1452 12.1551 12.8520 12.8616 16.1332 16.1495 17.9635 17.9781 19.6581 19.6699 20.5631 20.5892 22.0639 22.0731 24.3098 24.3469 25.6601 25.7184 27.6102 27.6358 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 1.2791 ( 2177 PWs) bands (ev): -24.6295 -24.6294 9.4123 9.4155 12.1013 12.1156 13.4214 13.4348 16.3135 16.3475 18.3877 18.4351 19.1714 19.1860 20.5073 20.5432 22.5499 22.5692 24.5664 24.5959 25.8348 25.8646 27.3053 27.3559 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121-0.7006 ( 2174 PWs) bands (ev): -24.6621 -24.6621 8.0089 8.0185 12.6500 12.6636 14.0193 14.0340 16.6042 16.6487 18.2100 18.2584 18.8609 18.9116 20.1619 20.2116 23.0739 23.0938 24.9455 24.9669 26.6150 26.6358 28.2476 28.3035 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121-0.5592 ( 2180 PWs) bands (ev): -24.7056 -24.7054 6.6583 6.6718 13.5075 13.5209 14.3259 14.3375 17.1828 17.2210 17.7894 17.8263 18.4903 18.5519 19.8730 19.9248 23.5282 23.5519 25.2081 25.2209 27.7646 27.7871 29.0820 29.1090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121-0.4178 ( 2175 PWs) bands (ev): -24.7533 -24.7529 5.5421 5.5560 13.8558 13.8650 14.6609 14.6805 17.5036 17.5365 18.1991 18.2199 18.3145 18.3280 19.7426 19.7859 23.9412 23.9724 25.5367 25.5575 28.2589 28.2938 29.4909 29.5248 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121-0.2764 ( 2173 PWs) bands (ev): -24.7965 -24.7961 4.7259 4.7374 13.2799 13.2860 15.4966 15.5200 17.5772 17.6144 18.3434 18.3763 19.1825 19.2124 19.7579 19.7933 24.4210 24.4568 26.0381 26.0677 28.1110 28.1441 30.1279 30.1552 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121-0.1350 ( 2175 PWs) bands (ev): -24.8264 -24.8261 4.2364 4.2436 12.8063 12.8096 15.9039 15.9192 17.9531 17.9823 18.5007 18.5131 19.4756 19.4902 20.2278 20.2437 25.1606 25.1952 26.5922 26.6122 27.7011 27.7169 29.4915 29.4987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 0.0064 ( 2180 PWs) bands (ev): -24.8364 -24.8362 4.0832 4.0876 12.6439 12.6458 15.9857 15.9939 18.2743 18.2844 18.4101 18.4187 19.5795 19.5923 20.4440 20.4533 26.1004 26.1279 26.2270 26.2518 27.5793 27.6000 28.7545 28.7603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0121 0.1478 ( 2174 PWs) bands (ev): -24.8244 -24.8241 4.2670 4.2747 12.8380 12.8415 15.8847 15.9010 17.9126 17.9430 18.4974 18.5119 19.4595 19.4754 20.1864 20.2036 25.0782 25.1131 26.5564 26.5786 27.7450 27.7637 29.5987 29.6086 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 0.3857 ( 2178 PWs) bands (ev): -24.7648 -24.7643 5.3191 5.3345 13.6422 13.6471 15.0891 15.1071 17.6414 17.6729 18.0418 18.0561 18.4408 18.4409 19.6145 19.6569 23.8241 23.8409 25.3689 25.3758 28.9719 28.9922 30.2117 30.2143 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 0.5271 ( 2186 PWs) bands (ev): -24.7161 -24.7157 6.3758 6.3923 14.1138 14.1209 14.1324 14.1447 17.2456 17.2833 17.8718 17.8946 18.2327 18.2878 19.6571 19.7079 23.1837 23.1996 25.1463 25.1515 28.9736 28.9747 29.4835 29.4941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 0.6685 ( 2166 PWs) bands (ev): -24.6695 -24.6693 7.6857 7.6998 13.1972 13.2030 13.9945 14.0074 16.5716 16.6126 18.3601 18.3729 18.5692 18.6367 19.8448 19.9084 22.6780 22.6923 24.9525 24.9738 27.7028 27.7034 28.6144 28.6531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 0.8099 ( 2174 PWs) bands (ev): -24.6327 -24.6327 9.1402 9.1480 12.4886 12.4916 13.3764 13.3910 16.3069 16.3374 18.5966 18.6459 18.9443 18.9631 20.3190 20.3611 22.3071 22.3189 24.7373 24.7749 26.5762 26.5764 26.9675 27.0051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 0.9513 ( 2178 PWs) bands (ev): -24.6106 -24.6106 10.4820 10.4832 12.0747 12.0758 12.7106 12.7245 16.1965 16.2113 18.3156 18.3314 19.4227 19.4318 20.4331 20.4498 22.0940 22.1007 24.8311 24.8574 25.7910 25.7920 26.8309 26.8526 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 1.0927 ( 2179 PWs) bands (ev): -24.6058 -24.6058 10.9315 10.9334 11.9848 11.9851 12.4574 12.4634 16.1679 16.1723 18.2068 18.2109 19.5497 19.5526 20.3864 20.3911 22.0500 22.0521 24.9331 24.9411 25.6003 25.6007 27.3044 27.3119 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 1.2341 ( 2172 PWs) bands (ev): -24.6186 -24.6186 9.9150 9.9177 12.2237 12.2256 13.0013 13.0165 16.2382 16.2606 18.4542 18.4831 19.2337 19.2471 20.4462 20.4741 22.1699 22.1795 24.7366 24.7729 26.0893 26.0903 26.7123 26.7444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 1.3755 ( 2169 PWs) bands (ev): -24.6478 -24.6478 8.4722 8.4833 12.7772 12.7813 13.6847 13.6986 16.3941 16.4304 18.6231 18.6702 18.7166 18.7185 20.0991 20.1536 22.4576 22.4707 24.8275 24.8590 27.0598 27.0602 27.5418 27.5802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972-0.6042 ( 2176 PWs) bands (ev): -24.6899 -24.6896 7.0639 7.0795 13.5993 13.6069 14.1400 14.1515 16.8165 16.8583 18.1171 18.1351 18.4066 18.4731 19.7241 19.7840 22.8922 22.9072 25.0438 25.0571 28.2718 28.2729 29.4810 29.5052 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972-0.4628 ( 2180 PWs) bands (ev): -24.7385 -24.7380 5.8601 5.8766 13.9534 13.9600 14.5774 14.5913 17.6652 17.6941 17.7329 17.7585 18.1914 18.2329 19.6268 19.6721 23.4560 23.4725 25.2381 25.2389 29.2562 29.2720 29.5601 29.5634 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972-0.3214 ( 2176 PWs) bands (ev): -24.7852 -24.7848 4.9376 4.9515 13.3516 13.3554 15.4421 15.4622 17.6847 17.7177 18.1569 18.1800 18.8062 18.8130 19.6614 19.7027 24.1752 24.1919 25.5148 25.5259 28.7219 28.7428 30.6265 30.6295 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972-0.1800 ( 2173 PWs) bands (ev): -24.8210 -24.8207 4.3343 4.3431 12.7995 12.8013 15.8575 15.8716 18.1152 18.1375 18.3928 18.4085 19.1389 19.1487 20.1576 20.1793 25.1699 25.1842 26.0097 26.0260 28.0638 28.0821 29.9355 29.9362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972-0.0386 ( 2190 PWs) bands (ev): -24.8382 -24.8381 4.0701 4.0721 12.5285 12.5289 15.9501 15.9531 18.4960 18.4969 18.5578 18.5596 19.1481 19.1517 20.5557 20.5595 26.5917 26.5943 26.7471 26.7554 27.2588 27.2740 27.8241 27.8310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 0.1028 ( 2176 PWs) bands (ev): -24.8331 -24.8328 4.1474 4.1527 12.6098 12.6108 15.9281 15.9360 18.3777 18.3874 18.4968 18.5035 19.1487 19.1569 20.4314 20.4423 25.8963 25.9074 26.3884 26.4043 27.6305 27.6476 28.7612 28.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0972 0.2442 ( 2173 PWs) bands (ev): -24.8067 -24.8062 4.5674 4.5788 13.0244 13.0270 15.7285 15.7470 17.8794 17.9090 18.2878 18.3081 19.0767 19.0841 19.8826 19.9155 24.6715 24.6873 25.7519 25.7667 28.3860 28.4058 30.6202 30.6227 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 0.4821 ( 2181 PWs) bands (ev): -24.7289 -24.7284 6.1308 6.1500 13.9207 13.9368 14.3056 14.3325 17.3614 17.3981 17.8064 17.8483 18.3564 18.4108 19.4551 19.4992 22.9595 22.9858 25.3790 25.3892 29.4357 29.4843 30.3202 30.3715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 0.6235 ( 2171 PWs) bands (ev): -24.6833 -24.6830 7.3252 7.3429 13.2245 13.2407 14.3108 14.3196 16.5972 16.6339 17.9762 18.0129 18.7320 18.7975 19.5633 19.6243 22.5066 22.5260 24.9924 25.0092 28.3460 28.3576 29.8272 29.8788 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 0.7649 ( 2173 PWs) bands (ev): -24.6449 -24.6448 8.6629 8.6750 12.5110 12.5275 13.8487 13.8573 16.2834 16.3143 18.3711 18.4062 18.8814 18.9140 20.1568 20.2014 22.1823 22.1973 24.5729 24.6014 26.8792 26.9118 28.2920 28.3631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 0.9063 ( 2176 PWs) bands (ev): -24.6193 -24.6193 9.9042 9.9092 12.1368 12.1534 13.1426 13.1488 16.2211 16.2390 18.6031 18.6354 18.9019 18.9097 20.5311 20.5595 22.0304 22.0378 24.4365 24.4680 26.1349 26.1559 27.4002 27.4743 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 1.0477 ( 2179 PWs) bands (ev): -24.6094 -24.6094 10.5141 10.5166 12.3215 12.3267 12.4906 12.4983 16.2021 16.2093 18.5951 18.5995 18.9971 19.0051 20.4175 20.4352 21.9965 21.9993 24.6351 24.6698 26.2605 26.3118 27.1474 27.1656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 1.1891 ( 2176 PWs) bands (ev): -24.6163 -24.6163 10.0820 10.0867 12.1238 12.1400 13.0135 13.0189 16.2159 16.2314 18.6043 18.6304 18.9296 18.9337 20.5194 20.5448 22.0185 22.0245 24.4795 24.5100 26.1169 26.1320 27.3037 27.3779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 1.3305 ( 2174 PWs) bands (ev): -24.6392 -24.6391 8.9067 8.9173 12.4120 12.4286 13.7256 13.7339 16.2634 16.2921 18.4406 18.4769 18.8738 18.8992 20.2777 20.3191 22.1413 22.1554 24.5040 24.5346 26.6644 26.6985 28.0833 28.1551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 1.4719 ( 2172 PWs) bands (ev): -24.6756 -24.6753 7.5621 7.5792 13.0777 13.0940 14.2683 14.2770 16.5048 16.5414 18.0393 18.0752 18.7947 18.8588 19.6296 19.6913 22.4367 22.4551 24.9197 24.9384 28.0804 28.0945 29.5233 29.5826 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065-0.5078 ( 2177 PWs) bands (ev): -24.7204 -24.7200 6.3316 6.3509 13.8702 13.8874 14.2706 14.2928 17.2070 17.2427 17.8117 17.8528 18.4026 18.4586 19.4598 19.5058 22.8694 22.8942 25.3072 25.3178 29.3034 29.3435 30.3210 30.3628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065-0.3664 ( 2179 PWs) bands (ev): -24.7663 -24.7657 5.3352 5.3529 13.5433 13.5459 14.9360 14.9594 17.7650 17.8034 18.0014 18.0221 18.4974 18.5393 19.4896 19.5352 23.4094 23.4413 25.7432 25.7564 29.4129 29.4470 30.6711 30.7138 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065-0.2250 ( 2183 PWs) bands (ev): -24.8045 -24.8040 4.6335 4.6466 12.9547 12.9551 15.5750 15.5941 17.9964 18.0179 18.3758 18.3897 18.8111 18.8354 19.8975 19.9302 24.1111 24.1447 26.3211 26.3369 28.6689 28.6840 30.5727 30.6002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065-0.0836 ( 2185 PWs) bands (ev): -24.8270 -24.8267 4.2601 4.2674 12.5953 12.5956 15.8375 15.8471 18.3536 18.3582 18.6818 18.6884 18.7560 18.7618 20.3682 20.3822 25.1095 25.1353 26.5794 26.5860 27.9956 28.0025 29.2056 29.2117 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 0.0578 ( 2181 PWs) bands (ev): -24.8289 -24.8287 4.2289 4.2353 12.5640 12.5644 15.8554 15.8636 18.4140 18.4177 18.6511 18.6582 18.7840 18.7919 20.4121 20.4246 25.3158 25.3388 26.4538 26.4627 28.0407 28.0471 28.9825 28.9869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 0.1993 ( 2180 PWs) bands (ev): -24.8099 -24.8094 4.5405 4.5526 12.8676 12.8681 15.6482 15.6658 18.0581 18.0759 18.4487 18.4622 18.8111 18.8319 20.0027 20.0308 24.2677 24.3006 26.4316 26.4467 28.4971 28.5102 30.3575 30.3805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2065 0.3407 ( 2185 PWs) bands (ev): -24.7740 -24.7735 5.1845 5.2015 13.4289 13.4307 15.0786 15.1016 17.7960 17.8320 18.0669 18.0851 18.5897 18.6286 19.5247 19.5710 23.5213 23.5541 25.8374 25.8516 29.3133 29.3420 30.7625 30.8018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 0.5785 ( 2171 PWs) bands (ev): -24.6966 -24.6962 7.1132 7.1346 12.7751 12.7965 14.5469 14.5617 16.8454 16.8855 17.6747 17.7069 18.8987 18.9552 19.4841 19.5257 22.3765 22.4062 25.5191 25.5359 28.6661 28.6850 30.7633 30.8075 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 0.7199 ( 2172 PWs) bands (ev): -24.6611 -24.6609 8.2579 8.2732 12.1694 12.1937 14.3841 14.3924 16.3582 16.3932 17.9297 17.9556 19.0438 19.0833 20.0424 20.0764 22.1675 22.1837 24.8646 24.8849 27.2454 27.2703 29.4612 29.5376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 0.8613 ( 2180 PWs) bands (ev): -24.6355 -24.6354 9.2229 9.2298 11.9794 12.0035 13.7968 13.8023 16.2412 16.2684 18.3405 18.3708 18.9187 18.9381 20.6024 20.6367 22.0987 22.1060 24.3186 24.3458 26.2603 26.2928 28.3492 28.4324 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 1.0027 ( 2168 PWs) bands (ev): -24.6227 -24.6227 9.6645 9.6710 12.3097 12.3213 13.1918 13.2013 16.2290 16.2493 18.6428 18.6805 18.8636 18.8778 20.4363 20.4695 22.0362 22.0451 24.4744 24.5104 26.3860 26.4212 27.2710 27.3338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 1.1441 ( 2174 PWs) bands (ev): -24.6240 -24.6240 9.6255 9.6318 12.2323 12.2476 13.2860 13.2939 16.2298 16.2510 18.6052 18.6442 18.8675 18.8804 20.4829 20.5158 22.0484 22.0580 24.4301 24.4640 26.2714 26.3020 27.4801 27.5505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 1.2855 ( 2179 PWs) bands (ev): -24.6392 -24.6392 9.0794 9.0874 11.9714 11.9961 13.9142 13.9200 16.2487 16.2774 18.2674 18.2957 18.9395 18.9623 20.5603 20.5944 22.1029 22.1096 24.3706 24.3964 26.3645 26.3974 28.5356 28.6185 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 1.4269 ( 2173 PWs) bands (ev): -24.6669 -24.6667 8.0523 8.0691 12.2566 12.2805 14.4584 14.4676 16.4120 16.4480 17.8629 17.8894 19.0565 19.1009 19.8973 19.9331 22.1973 22.2160 24.9893 25.0089 27.5089 27.5306 29.6976 29.7710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 1.5683 ( 2172 PWs) bands (ev): -24.7038 -24.7033 6.9103 6.9323 12.9077 12.9283 14.5132 14.5297 16.9743 17.0163 17.6678 17.7021 18.8151 18.8681 19.4661 19.5043 22.4234 22.4554 25.6335 25.6494 28.8733 28.8961 30.9005 30.9363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159-0.4114 ( 2177 PWs) bands (ev): -24.7440 -24.7434 5.8961 5.9182 13.4767 13.4870 14.3358 14.3652 17.5542 17.5924 17.9345 17.9655 18.5270 18.5737 19.4764 19.5130 22.7215 22.7640 26.2909 26.3014 29.4881 29.5263 30.9085 30.9449 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159-0.2700 ( 2189 PWs) bands (ev): -24.7803 -24.7796 5.1238 5.1427 13.1788 13.1828 14.9342 14.9608 17.8798 17.8898 18.0553 18.1074 18.8440 18.8840 19.6339 19.6794 23.1373 23.1822 26.9004 26.9100 29.0062 29.0236 30.9855 31.0176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159-0.1286 ( 2184 PWs) bands (ev): -24.8050 -24.8045 4.6532 4.6674 12.8054 12.8090 15.5203 15.5385 18.0507 18.0809 18.2879 18.3501 18.8830 18.9104 19.9772 20.0087 23.8002 23.8364 26.4217 26.4319 28.9439 28.9566 30.7417 30.7693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 0.0129 ( 2189 PWs) bands (ev): -24.8127 -24.8122 4.5142 4.5263 12.6847 12.6879 15.7037 15.7159 18.1410 18.1603 18.4319 18.4529 18.8245 18.8593 20.1037 20.1330 24.3744 24.3893 25.6350 25.6428 29.4154 29.4210 30.3055 30.3111 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 0.1543 ( 2185 PWs) bands (ev): -24.8017 -24.8011 4.7146 4.7297 12.8575 12.8612 15.4399 15.4599 18.0221 18.0529 18.2391 18.3052 18.8958 18.9234 19.9231 19.9564 23.6579 23.6966 26.6215 26.6309 28.8498 28.8615 30.8407 30.8699 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 0.2957 ( 2184 PWs) bands (ev): -24.7743 -24.7737 5.2431 5.2627 13.2604 13.2645 14.8020 14.8298 17.8334 17.8387 18.0411 18.0823 18.7935 18.8350 19.5820 19.6283 23.0472 23.0925 26.8211 26.8305 29.1418 29.1638 30.9609 30.9937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3159 0.4371 ( 2176 PWs) bands (ev): -24.7367 -24.7362 6.0648 6.0873 13.4314 13.4444 14.3212 14.3483 17.4799 17.5239 17.8636 17.8997 18.5291 18.5766 19.4692 19.5041 22.6615 22.7025 26.1667 26.1780 29.4547 29.4924 30.9337 30.9686 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 0.6749 ( 2176 PWs) bands (ev): -24.6781 -24.6778 7.9478 7.9650 11.6539 11.6770 14.8004 14.8179 16.6840 16.7257 17.5235 17.5460 19.2058 19.2538 19.8066 19.8347 22.2079 22.2223 25.8224 25.8377 27.6556 27.6768 30.1179 30.1829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 0.8163 ( 2180 PWs) bands (ev): -24.6565 -24.6564 8.5346 8.5405 11.7800 11.8043 14.3624 14.3741 16.4280 16.4658 17.9229 17.9506 19.0838 19.1129 20.3294 20.3595 22.3887 22.4023 24.9299 24.9461 26.6025 26.6372 29.0175 29.0945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 0.9577 ( 2174 PWs) bands (ev): -24.6441 -24.6441 8.7197 8.7283 12.3719 12.3877 13.7971 13.8084 16.3629 16.3978 18.3973 18.4442 18.9167 18.9430 20.2943 20.3365 22.4719 22.4899 24.6633 24.6921 26.4470 26.4781 27.9636 28.0322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 1.0991 ( 2175 PWs) bands (ev): -24.6418 -24.6418 8.7372 8.7468 12.6047 12.6124 13.6048 13.6183 16.3555 16.3898 18.5777 18.6344 18.8229 18.8528 20.2110 20.2592 22.4076 22.4213 24.7645 24.7980 26.7097 26.7390 27.4449 27.4984 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 1.2405 ( 2172 PWs) bands (ev): -24.6496 -24.6496 8.6559 8.6621 12.0230 12.0450 14.1006 14.1113 16.3859 16.4223 18.1420 18.1774 19.0103 19.0340 20.3767 20.4120 22.4904 22.5096 24.6607 24.6824 26.4118 26.4456 28.5591 28.6360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 1.3819 ( 2173 PWs) bands (ev): -24.6672 -24.6671 8.2690 8.2804 11.6318 11.6561 14.6428 14.6572 16.5308 16.5706 17.6800 17.7028 19.1687 19.2070 20.0878 20.1132 22.2594 22.2650 25.4277 25.4415 27.0848 27.1144 29.5869 29.6597 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 1.5233 ( 2174 PWs) bands (ev): -24.6930 -24.6926 7.4813 7.5038 11.8377 11.8589 14.8440 14.8659 16.9439 16.9902 17.4467 17.4730 19.0944 19.1430 19.6003 19.6273 22.2039 22.2309 26.2390 26.2558 28.3499 28.3669 30.7918 30.8386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 1.6647 ( 2177 PWs) bands (ev): -24.7235 -24.7228 6.5694 6.5959 12.4595 12.4765 14.5824 14.6098 17.2643 17.2964 17.8985 17.9212 18.6366 18.6741 19.6086 19.6308 22.2797 22.3238 27.0001 27.0144 29.0146 29.0422 31.3233 31.3311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252-0.3149 ( 2173 PWs) bands (ev): -24.7533 -24.7525 5.7793 5.8045 13.0444 13.0548 14.4144 14.4449 17.5058 17.5223 18.1909 18.2262 18.6899 18.7207 19.6180 19.6532 22.4575 22.5089 27.5799 27.5892 28.7703 28.7773 31.4182 31.4263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252-0.1735 ( 2185 PWs) bands (ev): -24.7762 -24.7755 5.2351 5.2568 13.0528 13.0619 14.9224 14.9482 17.6952 17.7069 18.1904 18.2423 18.8652 18.9106 19.6420 19.6909 22.8127 22.8581 26.4033 26.4126 29.7086 29.7268 31.7347 31.7665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252-0.0321 ( 2191 PWs) bands (ev): -24.7870 -24.7863 4.9969 5.0160 12.9373 12.9461 15.3984 15.4138 17.7029 17.7242 18.3342 18.3646 18.7866 18.8471 19.6821 19.7364 23.2366 23.2572 25.3032 25.3115 30.6948 30.7117 31.8899 31.9089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 0.1093 ( 2192 PWs) bands (ev): -24.7829 -24.7822 5.0868 5.1070 12.9863 12.9952 15.1979 15.2191 17.7109 17.7292 18.2546 18.3030 18.8373 18.8899 19.6645 19.7165 23.0262 23.0631 25.7807 25.7915 30.2549 30.2792 31.8462 31.8844 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 0.2507 ( 2179 PWs) bands (ev): -24.7649 -24.7642 5.4968 5.5205 13.1077 13.1168 14.5817 14.6112 17.6149 17.6227 18.1696 18.2135 18.8162 18.8537 19.6218 19.6647 22.5940 22.6445 27.1906 27.1996 29.0586 29.0665 31.5520 31.5693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 0.3921 ( 2176 PWs) bands (ev): -24.7375 -24.7368 6.1857 6.2121 12.7728 12.7870 14.4426 14.4716 17.3680 17.3932 18.1394 18.1680 18.5536 18.5896 19.6174 19.6441 22.3436 22.3925 27.3636 27.3759 28.9381 28.9620 31.3359 31.3399 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4252 0.5335 ( 2176 PWs) bands (ev): -24.7065 -24.7060 7.0638 7.0890 12.0892 12.1086 14.7614 14.7864 17.1331 17.1772 17.5631 17.5881 18.8743 18.9138 19.5888 19.6096 22.2282 22.2640 26.5751 26.5914 28.7804 28.8034 31.1904 31.2159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-0.2892 ( 2169 PWs) bands (ev): -24.6792 -24.6791 7.8553 7.8588 11.6677 11.6881 14.8337 14.8532 16.8014 16.8453 17.5023 17.5318 19.2128 19.2580 19.8893 19.9176 22.6536 22.6697 26.1208 26.1324 26.9621 26.9970 29.3696 29.4190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-0.1478 ( 2176 PWs) bands (ev): -24.6710 -24.6710 7.7803 7.7895 12.5058 12.5231 14.2945 14.3095 16.6956 16.7408 17.9437 17.9845 18.9632 19.0147 20.0575 20.1040 23.1613 23.1845 25.0555 25.0717 26.7629 26.7835 28.7104 28.7605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-0.0064 ( 2167 PWs) bands (ev): -24.6682 -24.6681 7.7277 7.7391 13.0757 13.0812 13.9118 13.9277 16.6745 16.7204 18.4213 18.4386 18.5388 18.5928 20.1224 20.1779 23.0728 23.0883 25.0689 25.0912 26.9890 26.9907 28.2683 28.3044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681 0.1350 ( 2180 PWs) bands (ev): -24.6705 -24.6705 7.7723 7.7819 12.5807 12.5972 14.2467 14.2616 16.6914 16.7367 17.9868 18.0288 18.9288 18.9816 20.0658 20.1140 23.1732 23.1958 25.0235 25.0406 26.7730 26.7924 28.6601 28.7101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681 0.2764 ( 2172 PWs) bands (ev): -24.6782 -24.6781 7.8530 7.8567 11.7368 11.7574 14.7872 14.8061 16.7862 16.8302 17.5381 17.5680 19.1996 19.2441 19.9143 19.9434 22.7059 22.7237 26.0009 26.0119 26.9130 26.9468 29.2980 29.3474 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681 0.4178 ( 2175 PWs) bands (ev): -24.6914 -24.6911 7.7314 7.7463 11.2211 11.2370 15.1564 15.1837 16.9607 16.9939 17.3556 17.3868 19.1433 19.1886 19.6664 19.6889 22.2907 22.3008 26.8669 26.8778 28.0501 28.0691 30.2447 30.2875 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681 0.5592 ( 2180 PWs) bands (ev): -24.7091 -24.7086 7.2191 7.2469 11.4145 11.4304 15.0338 15.0680 17.0174 17.0406 17.8747 17.9014 18.6693 18.7007 19.7137 19.7250 22.1337 22.1682 27.4161 27.4299 28.9403 28.9611 31.1988 31.2283 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681 0.7006 ( 2176 PWs) bands (ev): -24.7285 -24.7278 6.5391 6.5698 12.1526 12.1697 14.6373 14.6708 17.2169 17.2396 18.3179 18.3511 18.4371 18.4684 19.7160 19.7358 22.0909 22.1400 28.0525 28.0710 28.4150 28.4364 31.7708 31.7889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-1.2791 ( 2178 PWs) bands (ev): -24.7455 -24.7447 5.9706 5.9991 12.9647 12.9803 14.4649 14.4949 17.3989 17.4243 18.2219 18.2577 18.6135 18.6583 19.6097 19.6431 22.1517 22.2008 26.4480 26.4545 29.8080 29.8264 32.3299 32.3393 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-1.1377 ( 2182 PWs) bands (ev): -24.7556 -24.7548 5.6522 5.6783 13.2499 13.2659 14.8825 14.9029 17.2699 17.2936 18.3015 18.3367 18.6065 18.6601 19.4797 19.5297 22.2620 22.2917 25.2110 25.2188 31.5172 31.5434 32.7328 32.7633 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-0.9963 ( 2182 PWs) bands (ev): -24.7560 -24.7553 5.6380 5.6639 13.2545 13.2706 14.9230 14.9420 17.2507 17.2729 18.3109 18.3444 18.6056 18.6597 19.4721 19.5233 22.2696 22.2968 25.1498 25.1575 31.6437 31.6700 32.7532 32.7835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-0.8549 ( 2179 PWs) bands (ev): -24.7467 -24.7459 5.9300 5.9583 13.0172 13.0327 14.4804 14.5100 17.4021 17.4282 18.2228 18.2594 18.6155 18.6613 19.5967 19.6316 22.1615 22.2096 26.3033 26.3099 29.9633 29.9821 32.3763 32.3879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-0.7135 ( 2177 PWs) bands (ev): -24.7303 -24.7295 6.4798 6.5104 12.2326 12.2496 14.6043 14.6375 17.2387 17.2613 18.3027 18.3367 18.4660 18.4994 19.7104 19.7312 22.0921 22.1418 27.9444 27.9617 28.4925 28.5137 31.8226 31.8386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-0.5720 ( 2178 PWs) bands (ev): -24.7109 -24.7103 7.1590 7.1874 11.4648 11.4809 15.0019 15.0363 17.0298 17.0530 17.9332 17.9595 18.6291 18.6602 19.7184 19.7301 22.1259 22.1622 27.4787 27.4924 28.9436 28.9644 31.2579 31.2871 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6681-0.4306 ( 2174 PWs) bands (ev): -24.6929 -24.6925 7.7004 7.7169 11.2080 11.2235 15.1672 15.1954 16.9666 16.9972 17.3794 17.4103 19.1081 19.1509 19.6636 19.6837 22.2686 22.2811 26.9122 26.9237 28.1775 28.1950 30.3445 30.3857 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-0.1928 ( 2177 PWs) bands (ev): -24.6997 -24.6996 6.9308 6.9401 12.7255 12.7434 14.6403 14.6575 17.1196 17.1461 17.6481 17.6735 18.8528 18.9133 19.9005 19.9451 23.5621 23.5875 25.7494 25.7681 26.9802 26.9970 28.9192 28.9395 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-0.0514 ( 2180 PWs) bands (ev): -24.7001 -24.6999 6.7684 6.7801 13.5475 13.5575 14.1694 14.1846 17.1833 17.2303 17.9177 17.9517 18.3636 18.4257 20.2375 20.2882 23.8541 23.8743 25.0677 25.0769 27.2635 27.2739 28.4761 28.4993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588 0.0900 ( 2180 PWs) bands (ev): -24.7000 -24.6999 6.7948 6.8061 13.3678 13.3804 14.2847 14.2996 17.1706 17.2138 17.8315 17.8664 18.4978 18.5600 20.1638 20.2137 23.8883 23.9121 25.0900 25.1033 27.1629 27.1763 28.5814 28.6058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588 0.2314 ( 2172 PWs) bands (ev): -24.6997 -24.6996 7.0036 7.0116 12.4521 12.4710 14.7849 14.8034 17.0957 17.1152 17.5970 17.6228 18.9519 19.0114 19.8086 19.8502 23.3316 23.3552 26.1812 26.2035 26.9671 26.9902 29.0648 29.0849 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588 0.3728 ( 2174 PWs) bands (ev): -24.7006 -24.7005 7.3213 7.3230 11.4830 11.4987 15.2919 15.3167 16.9252 16.9340 17.5975 17.6367 19.0008 19.0482 19.6240 19.6491 22.6084 22.6162 26.9266 26.9338 28.2394 28.2574 29.7363 29.7677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588 0.5142 ( 2179 PWs) bands (ev): -24.7042 -24.7038 7.4964 7.5147 10.9482 10.9530 15.4401 15.4772 16.8051 16.8143 17.9614 17.9885 18.6124 18.6394 19.7045 19.7089 22.2384 22.2567 27.1347 27.1369 29.6756 29.6822 30.5898 30.6356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588 0.6556 ( 2184 PWs) bands (ev): -24.7103 -24.7097 7.2515 7.2834 11.2551 11.2716 15.0786 15.1181 16.9967 17.0179 18.0343 18.0592 18.6058 18.6356 19.7482 19.7582 22.0199 22.0568 27.4581 27.4674 29.0238 29.0393 31.5110 31.5522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588 0.7970 ( 2171 PWs) bands (ev): -24.7175 -24.7167 6.7888 6.8224 12.2366 12.2570 14.6254 14.6584 17.1978 17.2356 17.9563 17.9724 18.6643 18.7064 19.6591 19.6794 21.8363 21.8795 26.4679 26.4767 29.3609 29.3810 32.4002 32.4216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-1.1827 ( 2169 PWs) bands (ev): -24.7230 -24.7223 6.4347 6.4661 13.3294 13.3500 14.4269 14.4518 16.9015 16.9370 18.1868 18.2201 18.5076 18.5555 19.4994 19.5292 21.6414 21.6738 25.1771 25.1824 31.0995 31.1136 33.1182 33.1436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-1.0413 ( 2167 PWs) bands (ev): -24.7247 -24.7240 6.3317 6.3622 13.6584 13.6816 14.5769 14.5901 16.5807 16.5916 18.3291 18.3539 18.4760 18.5045 19.4328 19.4673 21.5465 21.5681 24.7999 24.8066 32.4065 32.4204 33.0260 33.0459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-0.8999 ( 2169 PWs) bands (ev): -24.7218 -24.7211 6.5098 6.5417 13.0688 13.0890 14.4332 14.4606 17.0374 17.0781 18.1084 18.1376 18.5443 18.5922 19.5414 19.5687 21.6954 21.7322 25.4543 25.4593 30.5757 30.5905 32.9718 32.9930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-0.7584 ( 2175 PWs) bands (ev): -24.7156 -24.7148 6.9143 6.9481 11.9299 11.9500 14.7374 14.7724 17.1734 17.2054 17.9465 17.9645 18.6860 18.7250 19.6954 19.7130 21.8857 21.9288 26.8862 26.8985 29.0340 29.0570 32.1613 32.1877 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-0.6170 ( 2184 PWs) bands (ev): -24.7085 -24.7079 7.3571 7.3867 11.0855 11.0994 15.2043 15.2446 16.9245 16.9430 18.0826 18.1006 18.5473 18.5693 19.7489 19.7562 22.0739 22.1066 27.3929 27.3966 29.3275 29.3342 31.2615 31.3068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-0.4756 ( 2175 PWs) bands (ev): -24.7029 -24.7026 7.4839 7.4969 11.0206 11.0271 15.4600 15.4937 16.8073 16.8123 17.8444 17.8780 18.7224 18.7548 19.6758 19.6838 22.3157 22.3274 27.0618 27.0640 29.4536 29.4639 30.3460 30.3885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5588-0.3342 ( 2177 PWs) bands (ev): -24.7001 -24.7001 7.2337 7.2364 11.7266 11.7444 15.1686 15.1912 16.9851 16.9955 17.5562 17.5938 19.0470 19.1005 19.6403 19.6721 22.7663 22.7799 26.8812 26.8959 27.7002 27.7244 29.5309 29.5579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494-0.0964 ( 2175 PWs) bands (ev): -24.7333 -24.7330 5.9518 5.9631 13.8628 13.8697 14.4012 14.4032 17.4409 17.4702 17.9647 18.0044 18.2691 18.3168 20.2593 20.3074 24.3867 24.4212 25.0748 25.1124 27.3727 27.3966 28.5648 28.5967 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494 0.0450 ( 2177 PWs) bands (ev): -24.7344 -24.7342 5.9071 5.9186 13.9868 13.9981 14.3751 14.3843 17.5483 17.5755 17.8985 17.9203 18.1708 18.1969 20.4072 20.4577 24.4376 24.4665 24.8875 24.9116 27.6534 27.6797 28.2499 28.2797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494 0.1864 ( 2173 PWs) bands (ev): -24.7294 -24.7292 6.1072 6.1175 13.3857 13.4015 14.5694 14.5817 17.2847 17.3134 18.0100 18.0553 18.5558 18.6106 19.9053 19.9478 23.9194 23.9446 25.9385 25.9793 27.1059 27.1339 29.0048 29.0349 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494 0.3278 ( 2170 PWs) bands (ev): -24.7200 -24.7200 6.5366 6.5432 12.3401 12.3597 15.0579 15.0751 17.0676 17.0942 18.0267 18.0690 18.8049 18.8523 19.5209 19.5531 23.0416 23.0583 26.7319 26.7445 28.1877 28.2039 29.5596 29.5816 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494 0.4692 ( 2177 PWs) bands (ev): -24.7098 -24.7096 7.1170 7.1196 11.3679 11.3810 15.5101 15.5356 16.8009 16.8155 18.1231 18.1331 18.6123 18.6228 19.5760 19.5847 22.5179 22.5194 26.8164 26.8171 29.7651 29.8117 30.1117 30.1238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494 0.6106 ( 2183 PWs) bands (ev): -24.7015 -24.7010 7.5693 7.5898 10.9333 10.9417 15.4236 15.4638 16.8409 16.8524 17.8141 17.8479 18.7902 18.8255 19.6985 19.7087 22.1991 22.2172 26.9715 26.9742 29.2635 29.2719 30.5861 30.6322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494 0.7520 ( 2177 PWs) bands (ev): -24.6962 -24.6956 7.5440 7.5771 11.4730 11.4945 14.9330 14.9679 17.0526 17.0960 17.6696 17.6800 18.8493 18.8880 19.6961 19.7141 21.8764 21.9034 26.4264 26.4395 28.7264 28.7424 31.1581 31.1922 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494 0.8934 ( 2174 PWs) bands (ev): -24.6938 -24.6931 7.2753 7.3089 12.7367 12.7601 14.4963 14.5219 16.6782 16.7230 18.0568 18.0830 18.5095 18.5496 19.5933 19.6156 21.4830 21.5075 25.1397 25.1472 30.1071 30.1178 31.4273 31.4713 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494-1.0863 ( 2174 PWs) bands (ev): -24.6930 -24.6924 7.1211 7.1533 13.9873 14.0070 14.2082 14.2256 15.9339 15.9459 18.2194 18.2449 18.4966 18.5168 19.5149 19.5387 21.1709 21.1895 24.5574 24.5621 31.4577 31.5033 31.9873 31.9887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494-0.9448 ( 2172 PWs) bands (ev): -24.6933 -24.6927 7.1958 7.2287 13.2490 13.2714 14.3842 14.4070 16.3941 16.4305 18.1878 18.2217 18.4280 18.4683 19.5546 19.5776 21.3373 21.3591 24.8282 24.8344 30.7745 30.7915 31.4752 31.5221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494-0.8034 ( 2172 PWs) bands (ev): -24.6951 -24.6944 7.4497 7.4837 11.8813 11.9043 14.7553 14.7867 16.9938 17.0443 17.7731 17.7884 18.7471 18.7863 19.6650 19.6851 21.7418 21.7692 25.9218 25.9326 29.1040 29.1162 31.2894 31.3259 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494-0.6620 ( 2179 PWs) bands (ev): -24.6992 -24.6987 7.6179 7.6448 11.0108 11.0252 15.2598 15.2995 16.9437 16.9639 17.7033 17.7328 18.8671 18.9043 19.7138 19.7270 22.0882 22.1105 26.9648 26.9733 28.7974 28.8104 30.8226 30.8633 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494-0.5206 ( 2180 PWs) bands (ev): -24.7065 -24.7062 7.3190 7.3272 11.1192 11.1276 15.5605 15.5929 16.7594 16.7646 18.0526 18.0730 18.6222 18.6429 19.6304 19.6369 22.3920 22.4003 26.8640 26.8653 29.9888 29.9982 30.1498 30.1842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494-0.3792 ( 2173 PWs) bands (ev): -24.7162 -24.7162 6.7387 6.7429 11.9560 11.9745 15.2504 15.2692 16.9686 16.9926 18.0576 18.0953 18.7571 18.7958 19.5024 19.5253 22.8070 22.8179 26.7617 26.7671 28.8709 28.8952 29.7765 29.7927 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4494-0.2378 ( 2176 PWs) bands (ev): -24.7263 -24.7262 6.2387 6.2480 13.0245 13.0430 14.7270 14.7417 17.2100 17.2383 18.0154 18.0600 18.6978 18.7514 19.7211 19.7605 23.5789 23.6018 26.4571 26.5018 27.1853 27.2181 29.2111 29.2387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3401 0.0000 ( 2188 PWs) bands (ev): -24.7690 -24.7687 5.1854 5.1963 13.7101 13.7227 15.1221 15.1426 17.3608 17.3930 18.0252 18.0853 18.6753 18.7315 20.4944 20.5458 24.7265 24.7326 24.8363 24.8569 27.7875 27.8385 28.9125 28.9149 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3401 0.1414 ( 2166 PWs) bands (ev): -24.7631 -24.7628 5.3260 5.3367 13.8062 13.8154 14.7217 14.7379 17.3401 17.3748 18.3017 18.3561 18.6675 18.7215 20.0472 20.0901 24.3278 24.3569 25.6140 25.6543 27.5018 27.5397 29.2072 29.2263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3401 0.2828 ( 2167 PWs) bands (ev): -24.7471 -24.7468 5.7453 5.7550 13.3657 13.3833 14.5919 14.6016 17.2827 17.3174 18.5119 18.5396 18.7678 18.7862 19.4162 19.4542 23.5357 23.5596 26.5241 26.5437 28.0707 28.0963 29.4783 29.4904 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3401 0.4242 ( 2177 PWs) bands (ev): -24.7252 -24.7252 6.4233 6.4294 12.3091 12.3290 15.1087 15.1250 17.0646 17.0937 18.2886 18.3119 18.7231 18.7441 19.4000 19.4228 22.9425 22.9562 26.6671 26.6709 28.9227 28.9628 29.8331 29.8480 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3401 0.5656 ( 2173 PWs) bands (ev): -24.7029 -24.7027 7.2649 7.2681 11.4281 11.4430 15.3912 15.4208 16.8775 16.8851 17.7513 17.7920 18.9248 18.9727 19.6284 19.6531 22.6015 22.6039 26.7068 26.7120 28.7120 28.7185 29.6508 29.6860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3401 0.7070 ( 2168 PWs) bands (ev): -24.6842 -24.6838 7.9370 7.9578 11.1918 11.2100 15.0447 15.0767 16.9581 17.0013 17.5480 17.5531 19.0613 19.1086 19.7332 19.7607 22.2372 22.2438 26.3457 26.3551 27.9877 27.9934 29.7088 29.7522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3401 0.8484 ( 2175 PWs) bands (ev): -24.6713 -24.6708 8.0620 8.0925 12.0140 12.0396 14.5474 14.5691 16.6280 16.6787 18.0331 18.0607 18.6233 18.6502 19.7177 19.7453 21.7514 21.7615 25.0990 25.1127 28.8551 28.8828 29.7805 29.8466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3401 0.9898 ( 2175 PWs) bands (ev): -24.6648 -24.6643 7.9572 7.9873 13.3736 13.3938 14.2486 14.2625 15.8215 15.8524 18.0370 18.0630 18.6397 18.6609 19.6700 19.6980 21.2600 21.2712 24.3713 24.3778 29.5234 29.5761 30.7477 30.7511 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308 0.0964 ( 2167 PWs) bands (ev): -24.7956 -24.7952 4.7168 4.7266 13.3783 13.3877 15.5072 15.5321 17.3817 17.4210 18.2657 18.3059 19.3701 19.4104 20.1246 20.1624 24.6144 24.6469 25.5685 25.6025 27.9206 27.9622 29.7417 29.7591 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308 0.2378 ( 2167 PWs) bands (ev): -24.7770 -24.7767 5.0793 5.0898 13.7032 13.7112 14.7335 14.7539 17.3732 17.4124 18.6231 18.6640 19.1744 19.2153 19.4411 19.4816 24.0157 24.0473 26.3498 26.3721 28.4075 28.4305 29.1873 29.1884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308 0.3792 ( 2168 PWs) bands (ev): -24.7475 -24.7472 5.7429 5.7529 13.3705 13.3881 14.5703 14.5788 17.2956 17.3307 18.5162 18.5434 18.7661 18.7837 19.3728 19.4117 23.4921 23.5183 26.6328 26.6526 28.1667 28.1935 29.4682 29.4782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308 0.5206 ( 2176 PWs) bands (ev): -24.7136 -24.7135 6.6764 6.6830 12.3721 12.3915 14.9969 15.0161 17.0813 17.1021 17.8312 17.8737 18.8704 18.9259 19.6520 19.6886 23.1805 23.1983 26.6710 26.6964 27.4946 27.5120 29.3029 29.3299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308 0.6620 ( 2177 PWs) bands (ev): -24.6821 -24.6820 7.7547 7.7579 11.6320 11.6504 14.8868 14.9124 16.9318 16.9740 17.5677 17.5853 19.1576 19.2157 19.8494 19.8849 22.8470 22.8586 26.2044 26.2233 27.0387 27.0697 28.8716 28.9036 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308 0.8034 ( 2180 PWs) bands (ev): -24.6578 -24.6575 8.5700 8.5888 11.6318 11.6563 14.3828 14.4008 16.6070 16.6571 18.0401 18.0796 18.9513 18.9868 19.9273 19.9625 22.3097 22.3147 25.0326 25.0480 27.4139 27.4469 28.6810 28.7518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308 0.9448 ( 2174 PWs) bands (ev): -24.6432 -24.6429 8.7776 8.8016 12.6152 12.6381 13.9460 13.9542 16.1097 16.1481 17.9864 18.0204 18.9439 18.9670 19.8974 19.9383 21.6834 21.6864 24.2475 24.2649 27.7661 27.8185 29.4135 29.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308 1.0863 ( 2172 PWs) bands (ev): -24.6396 -24.6393 8.7784 8.8022 13.2703 13.2804 13.7325 13.7338 15.7662 15.7875 17.7682 17.7834 19.1615 19.2006 19.8853 19.9340 21.4283 21.4339 24.0733 24.0882 27.7960 27.8598 30.0721 30.1087 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308-0.8934 ( 2178 PWs) bands (ev): -24.6473 -24.6470 8.7531 8.7767 12.1855 12.2110 14.0854 14.0971 16.3254 16.3700 18.1575 18.2065 18.8033 18.8187 19.9107 19.9484 21.9052 21.9067 24.4574 24.4757 27.7014 27.7420 29.0253 29.0626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308-0.7520 ( 2178 PWs) bands (ev): -24.6656 -24.6653 8.3421 8.3553 11.5087 11.5304 14.5744 14.5959 16.7349 16.7864 17.8365 17.8681 19.0978 19.1441 19.9181 19.9527 22.5263 22.5338 25.4587 25.4701 27.2148 27.2460 28.6846 28.7500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308-0.6106 ( 2180 PWs) bands (ev): -24.6929 -24.6928 7.3637 7.3655 11.8455 11.8638 15.0031 15.0283 17.0083 17.0270 17.5576 17.5758 19.0836 19.1438 19.7874 19.8240 22.9886 23.0023 26.4915 26.5198 27.1133 27.1430 29.0237 29.0447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308-0.4692 ( 2172 PWs) bands (ev): -24.7260 -24.7258 6.3100 6.3184 12.7269 12.7466 14.8744 14.8897 17.1533 17.1825 18.0843 18.1275 18.7644 18.8137 19.5579 19.5941 23.2804 23.3011 26.6858 26.7089 27.7363 27.7541 29.4367 29.4601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308-0.3278 ( 2169 PWs) bands (ev): -24.7591 -24.7588 5.4678 5.4782 13.6734 13.6836 14.4545 14.4553 17.3466 17.3837 18.6175 18.6595 18.9400 18.9645 19.2823 19.3283 23.6544 23.6832 26.5658 26.5848 28.3958 28.4305 29.3099 29.3207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308-0.1864 ( 2171 PWs) bands (ev): -24.7853 -24.7850 4.9122 4.9224 13.5714 13.5808 15.0432 15.0660 17.3730 17.4127 18.5143 18.5533 19.2560 19.3003 19.6916 19.7254 24.2446 24.2766 26.1246 26.1519 28.1598 28.1842 29.3781 29.3923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2308-0.0450 ( 2175 PWs) bands (ev): -24.7986 -24.7983 4.6610 4.6706 13.3181 13.3274 15.6639 15.6899 17.3943 17.4325 18.1589 18.2007 19.4009 19.4404 20.2919 20.3332 24.7920 24.8219 25.2751 25.3082 27.8945 27.9402 29.8829 29.8930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 0.2892 ( 2168 PWs) bands (ev): -24.7652 -24.7648 5.3598 5.3732 13.7632 13.7680 14.3704 14.3930 17.4739 17.5133 18.6333 18.6462 18.6819 18.7185 19.3518 19.3983 23.5424 23.5823 27.2266 27.2513 28.7207 28.7342 28.9383 28.9768 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 0.4306 ( 2167 PWs) bands (ev): -24.7339 -24.7336 6.1219 6.1345 13.0171 13.0356 14.6288 14.6343 17.2788 17.3121 18.1372 18.1729 18.6630 18.7024 19.4405 19.4744 23.1577 23.1912 27.2172 27.2366 28.0130 28.0277 29.6077 29.6311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 0.5720 ( 2170 PWs) bands (ev): -24.7008 -24.7007 7.1063 7.1145 12.0951 12.1148 14.9601 14.9756 17.0614 17.0809 17.4830 17.5201 19.0570 19.1120 19.6263 19.6628 22.8932 22.9171 26.8453 26.8585 27.2858 27.3163 29.6023 29.6284 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 0.7135 ( 2174 PWs) bands (ev): -24.6720 -24.6719 8.1050 8.1107 11.5993 11.6208 14.7205 14.7394 16.6975 16.7424 17.6102 17.6382 19.1971 19.2372 19.9987 20.0258 22.5425 22.5553 25.7639 25.7743 26.9337 26.9678 29.2624 29.3236 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 0.8549 ( 2175 PWs) bands (ev): -24.6514 -24.6512 8.6671 8.6850 11.9544 11.9804 14.2288 14.2401 16.3567 16.3956 18.0781 18.1098 18.9624 18.9965 20.0902 20.1262 22.0643 22.0684 24.6548 24.6744 27.2102 27.2396 29.0233 29.0944 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 0.9963 ( 2179 PWs) bands (ev): -24.6410 -24.6408 8.7599 8.7805 12.9220 12.9381 13.8057 13.8079 15.9870 16.0124 18.0654 18.0832 18.9931 19.0320 19.9046 19.9535 21.6182 21.6253 24.2303 24.2513 27.6553 27.7063 29.4532 29.4926 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 1.1377 ( 2178 PWs) bands (ev): -24.6415 -24.6413 8.7590 8.7796 12.8404 12.8583 13.8408 13.8435 16.0164 16.0434 18.0823 18.1018 18.9779 19.0156 19.9157 19.9635 21.6467 21.6536 24.2466 24.2676 27.6311 27.6797 29.3779 29.4206 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 1.2791 ( 2175 PWs) bands (ev): -24.6529 -24.6527 8.6415 8.6587 11.8832 11.9091 14.2722 14.2843 16.3881 16.4277 18.0449 18.0760 18.9851 19.0192 20.1036 20.1386 22.1104 22.1146 24.7273 24.7463 27.1653 27.1946 29.0257 29.0981 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822-0.7006 ( 2176 PWs) bands (ev): -24.6743 -24.6742 8.0251 8.0298 11.6152 11.6363 14.7608 14.7800 16.7313 16.7762 17.5709 17.5993 19.2060 19.2476 19.9644 19.9916 22.5808 22.5947 25.8843 25.8948 26.9378 26.9722 29.2980 29.3555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822-0.5592 ( 2172 PWs) bands (ev): -24.7037 -24.7036 7.0112 7.0201 12.1672 12.1868 14.9523 14.9667 17.0821 17.1006 17.5201 17.5586 19.0195 19.0736 19.6053 19.6416 22.9182 22.9431 26.9020 26.9145 27.3475 27.3768 29.6212 29.6472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822-0.4178 ( 2168 PWs) bands (ev): -24.7369 -24.7366 6.0419 6.0547 13.1091 13.1272 14.5822 14.5869 17.3016 17.3357 18.2038 18.2381 18.6415 18.6797 19.4245 19.4589 23.1845 23.2189 27.2306 27.2511 28.0843 28.0979 29.5740 29.5965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822-0.2764 ( 2168 PWs) bands (ev): -24.7677 -24.7673 5.3043 5.3176 13.7517 13.7582 14.4259 14.4503 17.4827 17.5223 18.6484 18.6686 18.6958 18.7319 19.3645 19.4112 23.5886 23.6286 27.2047 27.2292 28.6548 28.6661 28.9908 29.0262 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822-0.1350 ( 2171 PWs) bands (ev): -24.7894 -24.7890 4.8561 4.8683 13.4041 13.4108 15.2596 15.2839 17.5392 17.5777 18.4193 18.4529 19.0468 19.0795 19.6551 19.6934 24.1900 24.2279 26.3265 26.3556 28.1287 28.1607 29.8889 29.9206 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 0.0064 ( 2175 PWs) bands (ev): -24.7968 -24.7963 4.7149 4.7264 13.2577 13.2638 15.6336 15.6560 17.5937 17.6278 18.1895 18.2253 19.2008 19.2295 19.8431 19.8787 24.6978 24.7151 25.4708 25.4863 28.1659 28.1997 30.3801 30.3832 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1822 0.1478 ( 2173 PWs) bands (ev): -24.7880 -24.7875 4.8843 4.8966 13.4321 13.4390 15.1921 15.2166 17.5339 17.5727 18.4522 18.4858 19.0163 19.0496 19.6258 19.6648 24.1306 24.1690 26.4422 26.4709 28.1338 28.1648 29.8108 29.8432 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 0.3857 ( 2169 PWs) bands (ev): -24.7546 -24.7541 5.5855 5.6015 13.7756 13.7846 14.3541 14.3812 17.5403 17.5783 18.2283 18.2624 18.5077 18.5546 19.4541 19.4962 23.4090 23.4493 26.5739 26.5891 28.4947 28.5310 29.8590 29.9018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 0.5271 ( 2175 PWs) bands (ev): -24.7132 -24.7129 6.5837 6.5992 13.1103 13.1289 14.5357 14.5452 17.2331 17.2627 17.6308 17.6715 18.7459 18.8017 19.5465 19.5912 23.1078 23.1412 25.8998 25.9150 28.0880 28.1186 29.8335 29.8647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 0.6685 ( 2170 PWs) bands (ev): -24.6741 -24.6741 7.7747 7.7856 12.3098 12.3306 14.4984 14.5110 16.6383 16.6788 17.7717 17.8051 19.0716 19.1163 19.9237 19.9629 22.7776 22.8021 25.2471 25.2644 27.0823 27.1027 29.3258 29.3838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 0.8099 ( 2176 PWs) bands (ev): -24.6437 -24.6436 8.9202 8.9259 11.9251 11.9485 13.9967 14.0061 16.3315 16.3656 18.2154 18.2505 18.9863 19.0059 20.4846 20.5196 22.3557 22.3716 24.5058 24.5288 26.3165 26.3511 28.4551 28.5331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 0.9513 ( 2180 PWs) bands (ev): -24.6255 -24.6254 9.5524 9.5636 12.2642 12.2834 13.4134 13.4169 16.1737 16.1955 18.3037 18.3251 19.0370 19.0510 20.4488 20.4849 21.9526 21.9591 24.1972 24.2290 26.4061 26.4467 28.1548 28.2192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 1.0927 ( 2180 PWs) bands (ev): -24.6215 -24.6214 9.6485 9.6601 12.6270 12.6360 13.1044 13.1101 16.1262 16.1408 18.2250 18.2352 19.1082 19.1302 20.3792 20.4162 21.8280 21.8327 24.1794 24.2149 26.5496 26.6072 28.3033 28.3364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 1.2341 ( 2180 PWs) bands (ev): -24.6321 -24.6320 9.3507 9.3598 12.0181 12.0413 13.6776 13.6839 16.2364 16.2644 18.3416 18.3745 18.9674 18.9795 20.5235 20.5594 22.1209 22.1308 24.2662 24.2940 26.2873 26.3195 28.2002 28.2740 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 1.3755 ( 2174 PWs) bands (ev): -24.6561 -24.6561 8.4324 8.4393 12.0260 12.0481 14.2530 14.2645 16.4403 16.4784 18.0130 18.0459 19.0492 19.0776 20.2793 20.3135 22.5562 22.5763 24.8344 24.8534 26.5553 26.5875 28.8056 28.8809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729-0.6042 ( 2169 PWs) bands (ev): -24.6912 -24.6910 7.2191 7.2326 12.6412 12.6613 14.5935 14.6050 16.8825 16.9207 17.6357 17.6717 18.9790 19.0370 19.6813 19.7287 22.9384 22.9669 25.5525 25.5695 27.5881 27.6063 29.6798 29.7113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729-0.4628 ( 2175 PWs) bands (ev): -24.7322 -24.7318 6.0991 6.1152 13.5161 13.5314 14.3832 14.3952 17.4223 17.4548 17.8582 17.9007 18.5631 18.6139 19.4935 19.5345 23.2401 23.2772 26.1967 26.2107 28.3569 28.3942 29.8583 29.8983 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729-0.3214 ( 2174 PWs) bands (ev): -24.7721 -24.7716 5.2214 5.2365 13.6037 13.6098 14.6908 14.7184 17.6096 17.6488 18.3914 18.3957 18.6791 18.7115 19.4770 19.5217 23.5780 23.6197 26.9049 26.9222 28.4326 28.4627 29.8410 29.8816 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729-0.1800 ( 2179 PWs) bands (ev): -24.8029 -24.8024 4.6430 4.6551 13.1081 13.1111 15.4591 15.4820 17.7602 17.7946 18.6877 18.7065 18.7939 18.8042 19.8364 19.8659 24.1269 24.1663 27.4355 27.4552 27.6711 27.6881 29.9708 29.9978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729-0.0386 ( 2172 PWs) bands (ev): -24.8177 -24.8173 4.3877 4.3972 12.8527 12.8548 15.8210 15.8368 18.0314 18.0570 18.4076 18.4251 19.1136 19.1235 20.0903 20.1141 24.9461 24.9707 26.0962 26.1175 28.1045 28.1236 30.1034 30.1129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 0.1028 ( 2173 PWs) bands (ev): -24.8133 -24.8128 4.4629 4.4734 12.9297 12.9320 15.7155 15.7343 17.9029 17.9326 18.5405 18.5586 19.0036 19.0147 20.0135 20.0383 24.5586 24.5931 26.6673 26.6901 27.9521 27.9726 30.0725 30.0935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0729 0.2442 ( 2175 PWs) bands (ev): -24.7905 -24.7900 4.8668 4.8804 13.3165 13.3204 15.1452 15.1707 17.6794 17.7168 18.5787 18.5872 18.7703 18.7954 19.6456 19.6832 23.8409 23.8823 27.3047 27.3242 28.0516 28.0721 29.8744 29.9071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 0.4821 ( 2181 PWs) bands (ev): -24.7289 -24.7284 6.1308 6.1500 13.9207 13.9368 14.3056 14.3325 17.3614 17.3981 17.8064 17.8483 18.3564 18.4108 19.4551 19.4992 22.9595 22.9858 25.3790 25.3892 29.4357 29.4843 30.3202 30.3715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 0.6235 ( 2171 PWs) bands (ev): -24.6833 -24.6830 7.3252 7.3429 13.2245 13.2407 14.3108 14.3196 16.5972 16.6339 17.9762 18.0129 18.7320 18.7975 19.5633 19.6243 22.5066 22.5260 24.9924 25.0092 28.3460 28.3576 29.8272 29.8788 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 0.7649 ( 2173 PWs) bands (ev): -24.6449 -24.6448 8.6629 8.6750 12.5110 12.5275 13.8487 13.8573 16.2834 16.3143 18.3711 18.4062 18.8814 18.9140 20.1568 20.2014 22.1823 22.1973 24.5729 24.6014 26.8792 26.9118 28.2920 28.3631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 0.9063 ( 2176 PWs) bands (ev): -24.6193 -24.6193 9.9042 9.9092 12.1368 12.1534 13.1426 13.1488 16.2211 16.2390 18.6031 18.6354 18.9019 18.9097 20.5311 20.5595 22.0304 22.0378 24.4365 24.4680 26.1349 26.1559 27.4002 27.4743 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 1.0477 ( 2179 PWs) bands (ev): -24.6094 -24.6094 10.5141 10.5166 12.3215 12.3267 12.4906 12.4983 16.2021 16.2093 18.5951 18.5995 18.9971 19.0051 20.4175 20.4352 21.9965 21.9993 24.6351 24.6698 26.2605 26.3118 27.1474 27.1656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 1.1891 ( 2176 PWs) bands (ev): -24.6163 -24.6163 10.0820 10.0867 12.1238 12.1400 13.0135 13.0189 16.2159 16.2314 18.6043 18.6304 18.9296 18.9337 20.5194 20.5448 22.0185 22.0245 24.4795 24.5100 26.1169 26.1320 27.3037 27.3779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 1.3305 ( 2174 PWs) bands (ev): -24.6392 -24.6391 8.9067 8.9173 12.4120 12.4286 13.7256 13.7339 16.2634 16.2921 18.4406 18.4769 18.8738 18.8992 20.2777 20.3191 22.1413 22.1554 24.5040 24.5346 26.6644 26.6985 28.0833 28.1551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 1.4719 ( 2172 PWs) bands (ev): -24.6756 -24.6753 7.5621 7.5792 13.0777 13.0940 14.2683 14.2770 16.5048 16.5414 18.0393 18.0752 18.7947 18.8588 19.6296 19.6913 22.4367 22.4551 24.9197 24.9384 28.0804 28.0945 29.5233 29.5826 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365-0.5078 ( 2177 PWs) bands (ev): -24.7204 -24.7200 6.3316 6.3509 13.8702 13.8874 14.2706 14.2928 17.2070 17.2427 17.8117 17.8528 18.4026 18.4586 19.4598 19.5058 22.8694 22.8942 25.3072 25.3178 29.3034 29.3435 30.3210 30.3628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365-0.3664 ( 2179 PWs) bands (ev): -24.7663 -24.7657 5.3352 5.3529 13.5433 13.5459 14.9360 14.9594 17.7650 17.8034 18.0014 18.0221 18.4974 18.5393 19.4896 19.5352 23.4094 23.4413 25.7432 25.7564 29.4129 29.4470 30.6711 30.7138 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365-0.2250 ( 2183 PWs) bands (ev): -24.8045 -24.8040 4.6335 4.6466 12.9547 12.9551 15.5750 15.5941 17.9964 18.0179 18.3758 18.3897 18.8111 18.8354 19.8975 19.9302 24.1111 24.1447 26.3211 26.3369 28.6689 28.6840 30.5727 30.6002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365-0.0836 ( 2185 PWs) bands (ev): -24.8270 -24.8267 4.2601 4.2674 12.5953 12.5956 15.8375 15.8471 18.3536 18.3582 18.6818 18.6884 18.7560 18.7618 20.3682 20.3822 25.1095 25.1353 26.5794 26.5860 27.9956 28.0025 29.2056 29.2117 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 0.0578 ( 2181 PWs) bands (ev): -24.8289 -24.8287 4.2289 4.2353 12.5640 12.5644 15.8554 15.8636 18.4140 18.4177 18.6511 18.6582 18.7840 18.7919 20.4121 20.4246 25.3158 25.3388 26.4538 26.4627 28.0407 28.0471 28.9825 28.9869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 0.1993 ( 2180 PWs) bands (ev): -24.8099 -24.8094 4.5405 4.5526 12.8676 12.8681 15.6482 15.6658 18.0581 18.0759 18.4487 18.4622 18.8111 18.8319 20.0027 20.0308 24.2677 24.3006 26.4316 26.4467 28.4971 28.5102 30.3575 30.3805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0365 0.3407 ( 2185 PWs) bands (ev): -24.7740 -24.7735 5.1845 5.2015 13.4289 13.4307 15.0786 15.1016 17.7960 17.8320 18.0669 18.0851 18.5897 18.6286 19.5247 19.5710 23.5213 23.5541 25.8374 25.8516 29.3133 29.3420 30.7625 30.8018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 0.5785 ( 2171 PWs) bands (ev): -24.6962 -24.6958 6.9323 6.9543 13.9170 13.9261 14.2080 14.2081 16.5179 16.5454 18.0828 18.1051 18.4289 18.4822 19.3946 19.4471 22.1753 22.1905 24.9089 24.9154 29.9015 29.9049 30.5967 30.6262 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 0.7199 ( 2175 PWs) bands (ev): -24.6536 -24.6533 8.2425 8.2605 13.1344 13.1395 13.9166 13.9236 16.1581 16.1862 18.3334 18.3495 18.7776 18.8403 19.6964 19.7623 21.8870 21.8986 24.5630 24.5850 28.2288 28.2755 28.7003 28.7080 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 0.8613 ( 2173 PWs) bands (ev): -24.6224 -24.6223 9.6140 9.6236 12.5716 12.5741 13.1029 13.1123 16.1829 16.1993 18.5265 18.5349 18.8917 18.9157 20.3518 20.3887 21.8945 21.9008 24.3318 24.3693 26.6782 26.7308 27.6636 27.6678 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 1.0027 ( 2182 PWs) bands (ev): -24.6068 -24.6068 10.7857 10.7861 12.2661 12.2711 12.2935 12.2952 16.2028 16.2069 18.6075 18.6097 19.0431 19.0477 20.3688 20.3794 22.0270 22.0287 24.8088 24.8355 26.2375 26.2801 27.0462 27.0465 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 1.1441 ( 2180 PWs) bands (ev): -24.6084 -24.6083 10.6150 10.6166 12.3209 12.3216 12.3991 12.4070 16.2024 16.2085 18.6000 18.6032 19.0136 19.0205 20.4009 20.4162 22.0078 22.0101 24.6963 24.7292 26.2486 26.2989 27.1129 27.1140 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 1.2855 ( 2177 PWs) bands (ev): -24.6270 -24.6269 9.3683 9.3797 12.6540 12.6569 13.2624 13.2715 16.1738 16.1927 18.4999 18.5096 18.8750 18.9049 20.2635 20.3052 21.8756 21.8829 24.3322 24.3679 26.8696 26.9213 27.8299 27.8346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 1.4269 ( 2175 PWs) bands (ev): -24.6606 -24.6604 7.9952 8.0142 13.2632 13.2689 14.0290 14.0352 16.1774 16.2066 18.2883 18.3057 18.7309 18.7981 19.5916 19.6604 21.9163 21.9286 24.6305 24.6492 28.6325 28.6798 28.9122 28.9221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 1.5683 ( 2173 PWs) bands (ev): -24.7047 -24.7043 6.7113 6.7336 14.0727 14.0825 14.1659 14.1671 16.6531 16.6793 18.0432 18.0665 18.3750 18.4240 19.3867 19.4352 22.2597 22.2754 24.9633 24.9677 30.1238 30.1276 30.8336 30.8526 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458-0.4114 ( 2175 PWs) bands (ev): -24.7524 -24.7518 5.6297 5.6507 13.6150 13.6200 14.9203 14.9354 17.4824 17.5068 17.9506 17.9771 18.3936 18.4412 19.4187 19.4650 22.8800 22.8971 25.2228 25.2270 30.5731 30.5760 31.2691 31.2745 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458-0.2700 ( 2185 PWs) bands (ev): -24.7949 -24.7943 4.8212 4.8372 12.9629 12.9671 15.5297 15.5452 17.9720 17.9953 18.1918 18.2157 18.7518 18.8019 19.7600 19.8054 23.7677 23.7836 25.4712 25.4789 29.8457 29.8495 31.3541 31.3576 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458-0.1286 ( 2186 PWs) bands (ev): -24.8237 -24.8233 4.3326 4.3409 12.5145 12.5168 15.7864 15.7946 18.2544 18.2691 18.6290 18.6407 18.8352 18.8571 20.3596 20.3770 24.9708 24.9815 25.7472 25.7522 29.1158 29.1197 29.2708 29.2722 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 0.0129 ( 2195 PWs) bands (ev): -24.8325 -24.8325 4.1908 4.1917 12.3780 12.3782 15.8402 15.8410 18.3615 18.3634 18.7962 18.7979 18.8507 18.8512 20.5872 20.5887 25.8261 25.8273 25.9183 25.9207 27.9678 27.9688 28.8269 28.8272 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 0.1543 ( 2186 PWs) bands (ev): -24.8198 -24.8194 4.3962 4.4060 12.5745 12.5772 15.7598 15.7696 18.2130 18.2296 18.5556 18.5706 18.8332 18.8605 20.2660 20.2878 24.7306 24.7427 25.6986 25.7046 29.2321 29.2360 29.6775 29.6784 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 0.2957 ( 2186 PWs) bands (ev): -24.7880 -24.7874 4.9455 4.9627 13.0717 13.0762 15.4469 15.4630 17.9059 17.9303 18.1225 18.1472 18.7033 18.7570 19.6589 19.7083 23.5841 23.6004 25.4235 25.4310 29.9877 29.9912 31.5458 31.5502 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1458 0.4371 ( 2167 PWs) bands (ev): -24.7438 -24.7432 5.8077 5.8293 13.7366 13.7414 14.7756 14.7899 17.3462 17.3701 17.9462 17.9725 18.3462 18.3913 19.4019 19.4464 22.7482 22.7652 25.1791 25.1820 30.6812 30.6848 31.0841 31.0899 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 0.6749 ( 2175 PWs) bands (ev): -24.6668 -24.6665 7.8760 7.8987 13.0674 13.0868 14.2692 14.2769 16.1670 16.1991 18.0964 18.1253 18.7966 18.8557 19.5621 19.6151 21.7833 21.7979 24.6529 24.6682 28.7157 28.7465 29.8875 29.9538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 0.8163 ( 2177 PWs) bands (ev): -24.6335 -24.6333 9.1410 9.1559 12.4826 12.5014 13.6423 13.6455 16.1387 16.1628 18.2626 18.2828 18.9685 18.9953 20.2289 20.2704 21.8465 21.8531 24.2402 24.2691 26.8910 26.9330 28.5895 28.6523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 0.9577 ( 2175 PWs) bands (ev): -24.6138 -24.6138 10.2331 10.2391 12.1316 12.1456 12.9092 12.9158 16.1864 16.2018 18.2957 18.3119 19.2715 19.2785 20.5242 20.5486 22.0381 22.0454 24.4412 24.4746 25.9350 25.9760 27.4209 27.4689 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 1.0991 ( 2173 PWs) bands (ev): -24.6101 -24.6100 10.5251 10.5282 12.0627 12.0695 12.6975 12.7094 16.1896 16.2031 18.2919 18.3059 19.4198 19.4276 20.4478 20.4642 22.0767 22.0831 24.7666 24.7947 25.7675 25.7924 26.9810 27.0084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 1.2405 ( 2177 PWs) bands (ev): -24.6226 -24.6225 9.6818 9.6923 12.2909 12.3085 13.2909 13.2941 16.1682 16.1878 18.2919 18.3107 19.0790 19.0925 20.4679 20.5027 21.9441 21.9504 24.1991 24.2324 26.3417 26.3855 28.0605 28.1214 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 1.3819 ( 2174 PWs) bands (ev): -24.6502 -24.6499 8.4535 8.4731 12.7773 12.7966 14.0370 14.0413 16.1151 16.1445 18.1829 18.2072 18.8844 18.9320 19.8321 19.8817 21.7745 21.7852 24.4483 24.4694 27.8115 27.8486 29.2546 29.3188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 1.5233 ( 2170 PWs) bands (ev): -24.6893 -24.6888 7.2022 7.2272 13.4428 13.4620 14.3398 14.3553 16.4054 16.4383 18.0091 18.0422 18.6279 18.6828 19.4191 19.4631 21.8824 21.9018 24.8896 24.8999 29.7076 29.7252 30.8645 30.9226 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 1.6647 ( 2172 PWs) bands (ev): -24.7342 -24.7335 6.0846 6.1098 13.6593 13.6722 14.4703 14.4959 17.1584 17.1941 18.0223 18.0600 18.4359 18.4841 19.4125 19.4512 22.2882 22.3164 25.2762 25.2832 30.7316 30.7650 31.8397 31.8762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551-0.3149 ( 2191 PWs) bands (ev): -24.7770 -24.7763 5.1964 5.2175 13.0790 13.0884 15.1392 15.1604 17.6565 17.6769 18.2198 18.2631 18.7602 18.8163 19.5932 19.6470 22.9289 22.9631 25.6180 25.6284 30.5008 30.5279 31.9491 31.9876 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551-0.1735 ( 2194 PWs) bands (ev): -24.8092 -24.8087 4.6037 4.6177 12.5917 12.5978 15.5871 15.6010 17.8999 17.9179 18.5497 18.5959 18.9871 19.0151 20.1078 20.1384 23.7945 23.8258 25.8362 25.8457 29.5553 29.5696 30.8223 30.8489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551-0.0321 ( 2198 PWs) bands (ev): -24.8240 -24.8237 4.3482 4.3556 12.3707 12.3740 15.7494 15.7555 18.0236 18.0335 18.8459 18.8641 18.9779 18.9916 20.4466 20.4614 24.8054 24.8203 25.4888 25.4949 28.9505 28.9551 29.8855 29.8949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 0.1093 ( 2199 PWs) bands (ev): -24.8184 -24.8180 4.4443 4.4547 12.4544 12.4590 15.6911 15.7010 17.9744 17.9890 18.7066 18.7443 19.0015 19.0173 20.3132 20.3337 24.2623 24.2884 25.7706 25.7776 29.1748 29.1850 30.2675 30.2875 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 0.2507 ( 2188 PWs) bands (ev): -24.7934 -24.7927 4.8873 4.9053 12.8301 12.8382 15.3819 15.4002 17.7813 17.8002 18.3554 18.4042 18.9066 18.9536 19.8062 19.8528 23.2924 23.3268 25.7506 25.7616 30.0977 30.1188 31.5868 31.6215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 0.3921 ( 2179 PWs) bands (ev): -24.7544 -24.7537 5.6479 5.6717 13.4097 13.4206 14.7799 14.8033 17.4378 17.4686 18.1009 18.1363 18.5331 18.5843 19.4575 19.5037 22.5529 22.5845 25.4360 25.4444 30.7909 30.8259 31.9065 31.9467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2551 0.5335 ( 2172 PWs) bands (ev): -24.7094 -24.7089 6.6710 6.6967 13.7024 13.7211 14.2895 14.3138 16.7345 16.7685 17.9811 18.0170 18.4935 18.5427 19.3964 19.4339 22.0339 22.0574 25.0727 25.0802 30.2970 30.3175 31.6321 31.6690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 0.7713 ( 2179 PWs) bands (ev): -24.6501 -24.6498 8.6885 8.7070 12.0316 12.0574 14.1862 14.1967 16.3246 16.3627 18.1060 18.1380 18.9428 18.9769 20.0741 20.1112 22.0180 22.0222 24.5889 24.6090 27.2571 27.2869 29.0265 29.0959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 0.9127 ( 2173 PWs) bands (ev): -24.6294 -24.6293 9.4758 9.4826 11.9797 11.9996 13.5302 13.5407 16.2823 16.3152 18.3137 18.3564 19.1352 19.1417 20.5032 20.5401 22.4061 22.4237 24.3125 24.3398 26.0279 26.0602 27.7439 27.7988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 1.0541 ( 2174 PWs) bands (ev): -24.6219 -24.6218 9.7564 9.7582 12.1747 12.1770 13.0980 13.1161 16.2688 16.2991 18.3234 18.3603 19.4281 19.4441 20.5033 20.5310 22.4418 22.4549 24.9326 24.9684 25.5289 25.5324 26.7542 26.7782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 1.1955 ( 2176 PWs) bands (ev): -24.6282 -24.6281 9.5236 9.5295 11.9953 12.0139 13.4726 13.4837 16.2804 16.3129 18.3186 18.3610 19.1683 19.1759 20.5164 20.5527 22.4250 22.4432 24.3431 24.3709 25.9569 25.9888 27.6240 27.6764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 1.3369 ( 2176 PWs) bands (ev): -24.6477 -24.6475 8.7760 8.7935 12.0098 12.0355 14.1307 14.1407 16.3169 16.3544 18.1348 18.1680 18.9473 18.9780 20.1287 20.1659 22.0511 22.0556 24.5380 24.5588 27.1126 27.1431 28.9099 28.9788 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 1.4783 ( 2175 PWs) bands (ev): -24.6784 -24.6779 7.7317 7.7583 12.3907 12.4150 14.5443 14.5631 16.5471 16.5896 17.8506 17.8773 18.8729 18.9256 19.6103 19.6449 21.8446 21.8634 25.1299 25.1450 28.7915 28.8086 30.3919 30.4541 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 1.6197 ( 2178 PWs) bands (ev): -24.7161 -24.7155 6.6634 6.6931 12.9049 12.9243 14.4529 14.4804 17.1023 17.1484 17.8905 17.9202 18.6187 18.6643 19.5298 19.5560 21.9390 21.9759 25.7159 25.7246 29.8809 29.8998 32.2242 32.2472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 1.7611 ( 2184 PWs) bands (ev): -24.7547 -24.7539 5.7398 5.7670 13.0387 13.0536 14.5739 14.6024 17.4428 17.4641 18.2724 18.3143 18.6847 18.7296 19.6019 19.6419 22.2394 22.2877 26.2460 26.2531 30.0906 30.1083 32.4209 32.4372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645-0.2185 ( 2188 PWs) bands (ev): -24.7865 -24.7857 5.0648 5.0863 12.7438 12.7560 15.1263 15.1488 17.6037 17.6104 18.4524 18.5086 19.0681 19.1112 19.8019 19.8510 22.7356 22.7826 26.2903 26.2994 29.7910 29.7975 32.2796 32.3137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645-0.0771 ( 2202 PWs) bands (ev): -24.8049 -24.8043 4.7036 4.7195 12.5151 12.5244 15.5332 15.5462 17.6946 17.7077 18.7168 18.7577 19.0745 19.1123 20.0581 20.0970 23.4683 23.4979 25.3988 25.4085 30.2485 30.2647 31.4440 31.4733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 0.0643 ( 2200 PWs) bands (ev): -24.8057 -24.8051 4.6876 4.7033 12.5044 12.5135 15.5524 15.5646 17.6991 17.7125 18.7399 18.7773 19.0638 19.1025 20.0713 20.1100 23.5346 23.5615 25.3136 25.3230 30.3210 30.3378 31.3583 31.3866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 0.2057 ( 2186 PWs) bands (ev): -24.7888 -24.7881 5.0183 5.0392 12.7162 12.7280 15.1753 15.1971 17.6145 17.6219 18.4734 18.5295 19.0835 19.1254 19.8288 19.8769 22.7932 22.8393 26.2407 26.2497 29.7932 29.7998 32.2276 32.2620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 0.3471 ( 2185 PWs) bands (ev): -24.7579 -24.7571 5.6669 5.6938 13.0200 13.0347 14.6160 14.6442 17.4614 17.4801 18.2904 18.3345 18.7255 18.7699 19.6124 19.6543 22.2756 22.3243 26.2826 26.2900 30.0657 30.0825 32.4216 32.4395 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 0.4885 ( 2179 PWs) bands (ev): -24.7197 -24.7190 6.5716 6.6012 12.9429 12.9617 14.4399 14.4679 17.1481 17.1934 17.9213 17.9512 18.6005 18.6465 19.5336 19.5603 21.9588 21.9971 25.7682 25.7764 29.9372 29.9568 32.3003 32.3192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3645 0.6299 ( 2178 PWs) bands (ev): -24.6816 -24.6811 7.6323 7.6595 12.4369 12.4609 14.5532 14.5730 16.5889 16.6318 17.8356 17.8623 18.8547 18.9070 19.5859 19.6192 21.8424 21.8630 25.1839 25.1984 28.9279 28.9434 30.5621 30.6218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-0.1928 ( 2175 PWs) bands (ev): -24.6513 -24.6511 8.6464 8.6505 11.8672 11.8875 14.0959 14.1113 16.5423 16.5883 18.1525 18.2014 19.0592 19.0932 20.2592 20.2961 22.9211 22.9391 24.7606 24.7756 26.3693 26.4074 28.1075 28.1749 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-0.0514 ( 2172 PWs) bands (ev): -24.6428 -24.6427 8.7432 8.7483 12.4113 12.4191 13.5443 13.5620 16.4842 16.5285 18.4517 18.5156 19.0217 19.0514 20.4887 20.5275 23.1848 23.2050 25.0120 25.0423 25.7148 25.7506 27.0846 27.1276 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288 0.0900 ( 2175 PWs) bands (ev): -24.6441 -24.6440 8.7323 8.7364 12.2846 12.2967 13.6653 13.6816 16.4932 16.5378 18.3980 18.4620 19.0251 19.0613 20.4472 20.4870 23.2111 23.2339 24.7773 24.8032 25.8691 25.9085 27.3299 27.3825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288 0.2314 ( 2180 PWs) bands (ev): -24.6553 -24.6551 8.5788 8.5863 11.7283 11.7503 14.2670 14.2833 16.5718 16.6186 18.0369 18.0782 19.0745 19.1083 20.1632 20.1979 22.7065 22.7206 24.9489 24.9621 26.6394 26.6755 28.4016 28.4709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288 0.3728 ( 2174 PWs) bands (ev): -24.6755 -24.6751 8.0864 8.1094 11.5067 11.5299 14.7764 14.8006 16.7724 16.8220 17.6504 17.6744 19.0667 19.1140 19.7704 19.8011 22.1068 22.1150 25.7113 25.7257 27.9545 27.9729 29.7112 29.7715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288 0.5142 ( 2173 PWs) bands (ev): -24.7026 -24.7020 7.2745 7.3070 11.7910 11.8121 14.8148 14.8478 17.0952 17.1392 17.6994 17.7151 18.8127 18.8522 19.6624 19.6803 21.8886 21.9223 26.4154 26.4283 28.9515 28.9706 31.5871 31.6165 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288 0.6556 ( 2179 PWs) bands (ev): -24.7326 -24.7318 6.4063 6.4396 12.3411 12.3604 14.5587 14.5926 17.2715 17.2956 18.2764 18.3059 18.5868 18.6299 19.7120 19.7357 21.8905 21.9422 27.1302 27.1385 29.1180 29.1351 32.6205 32.6361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288 0.7970 ( 2178 PWs) bands (ev): -24.7598 -24.7589 5.6896 5.7189 12.7246 12.7426 14.6196 14.6487 17.4037 17.4134 18.4646 18.5168 18.8452 18.8820 19.7229 19.7631 22.0557 22.1121 26.8821 26.8906 29.4970 29.5002 32.9187 32.9339 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-1.1827 ( 2190 PWs) bands (ev): -24.7782 -24.7774 5.2405 5.2650 12.7470 12.7637 15.1078 15.1284 17.4250 17.4374 18.5998 18.6515 18.9813 19.0398 19.6991 19.7594 22.4143 22.4567 25.5270 25.5366 31.0562 31.0724 33.0691 33.1028 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-1.0413 ( 2199 PWs) bands (ev): -24.7835 -24.7827 5.1167 5.1393 12.7202 12.7364 15.3396 15.3526 17.3964 17.4112 18.7140 18.7418 18.9458 19.0176 19.6914 19.7603 22.6527 22.6731 24.9310 24.9382 32.2207 32.2497 32.5992 32.6282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-0.8999 ( 2190 PWs) bands (ev): -24.7744 -24.7735 5.3323 5.3579 12.7586 12.7757 14.9674 14.9908 17.4324 17.4429 18.5520 18.6062 18.9751 19.0273 19.7053 19.7603 22.3007 22.3492 25.8886 25.8976 30.5873 30.5991 33.0752 33.1064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-0.7584 ( 2178 PWs) bands (ev): -24.7530 -24.7522 5.8622 5.8928 12.6622 12.6805 14.5449 14.5757 17.3744 17.3872 18.4485 18.4980 18.7530 18.7856 19.7258 19.7607 21.9922 22.0489 27.1440 27.1522 29.2323 29.2355 32.8525 32.8598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-0.6170 ( 2181 PWs) bands (ev): -24.7245 -24.7237 6.6348 6.6685 12.1865 12.2062 14.6225 14.6568 17.2295 17.2583 18.1170 18.1387 18.6221 18.6637 19.6992 19.7198 21.8742 21.9222 26.9499 26.9596 29.1497 29.1703 32.4712 32.4927 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-0.4756 ( 2175 PWs) bands (ev): -24.6947 -24.6942 7.5130 7.5439 11.6730 11.6947 14.8562 14.8875 17.0181 17.0667 17.6108 17.6294 18.8988 18.9403 19.6599 19.6802 21.9200 21.9470 26.2213 26.2351 28.7567 28.7716 31.0691 31.1057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7288-0.3342 ( 2173 PWs) bands (ev): -24.6691 -24.6688 8.2606 8.2795 11.5139 11.5373 14.6710 14.6925 16.6989 16.7477 17.7358 17.7627 19.0877 19.1321 19.8675 19.8990 22.2281 22.2316 25.5126 25.5266 27.5793 27.6045 29.2937 29.3598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195-0.0964 ( 2170 PWs) bands (ev): -24.6701 -24.6701 7.7269 7.7341 12.6941 12.7062 14.0467 14.0648 16.8154 16.8673 18.1244 18.1778 18.7907 18.8508 20.4249 20.4683 24.0295 24.0571 24.8442 24.8658 26.1743 26.1998 27.9123 27.9346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195 0.0450 ( 2172 PWs) bands (ev): -24.6692 -24.6692 7.7081 7.7162 12.9042 12.9121 13.8831 13.9017 16.8077 16.8599 18.2932 18.3538 18.6187 18.6760 20.5402 20.5836 23.9271 23.9506 25.1131 25.1303 26.0020 26.0203 27.8086 27.8262 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195 0.1864 ( 2176 PWs) bands (ev): -24.6733 -24.6732 7.7845 7.7883 12.1918 12.2091 14.4153 14.4353 16.8449 16.8954 17.8522 17.8915 19.0373 19.0968 20.1459 20.1866 23.5622 23.5810 25.2436 25.2635 26.4652 26.4979 28.2299 28.2587 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195 0.3278 ( 2172 PWs) bands (ev): -24.6826 -24.6824 7.8537 7.8623 11.3986 11.4163 14.9898 15.0179 16.9336 16.9751 17.5226 17.5375 19.1607 19.2160 19.7862 19.8194 22.5889 22.5953 26.3289 26.3385 27.4016 27.4243 29.1508 29.1901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195 0.4692 ( 2180 PWs) bands (ev): -24.6972 -24.6967 7.6573 7.6841 11.0488 11.0643 15.2222 15.2608 16.9669 16.9902 17.6427 17.6695 18.9102 18.9487 19.7102 19.7254 22.0874 22.1083 26.8835 26.8932 28.6446 28.6577 30.7225 30.7614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195 0.6106 ( 2182 PWs) bands (ev): -24.7153 -24.7146 7.0854 7.1218 11.4008 11.4205 14.9488 14.9897 17.0692 17.0911 18.1619 18.1830 18.6044 18.6343 19.7701 19.7829 21.8667 21.9104 27.6160 27.6275 28.7569 28.7740 32.1179 32.1619 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195 0.7520 ( 2179 PWs) bands (ev): -24.7337 -24.7329 6.4223 6.4578 12.1837 12.2047 14.5960 14.6314 17.2504 17.2715 18.4030 18.4339 18.5912 18.6338 19.7564 19.7797 21.7677 21.8222 27.3800 27.3878 28.9191 28.9319 33.0064 33.0252 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195 0.8934 ( 2178 PWs) bands (ev): -24.7482 -24.7473 5.9228 5.9544 12.8767 12.8986 14.6198 14.6463 17.2507 17.2756 18.4961 18.5278 18.6530 18.7093 19.6267 19.6654 21.7676 21.8159 25.7267 25.7325 30.8703 30.8808 33.7482 33.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195-1.0863 ( 2181 PWs) bands (ev): -24.7547 -24.7539 5.7050 5.7340 13.0825 13.1059 14.9925 15.0067 17.0207 17.0331 18.6114 18.6298 18.7099 18.7540 19.5014 19.5582 21.8138 21.8386 24.8421 24.8506 32.9900 33.0006 34.2071 34.2220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195-0.9448 ( 2173 PWs) bands (ev): -24.7516 -24.7507 5.8077 5.8380 13.0011 13.0238 14.7628 14.7854 17.1659 17.1889 18.5459 18.5782 18.6729 18.7274 19.5688 19.6150 21.7853 21.8258 25.2742 25.2816 31.6898 31.7002 34.0022 34.0253 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195-0.8034 ( 2177 PWs) bands (ev): -24.7397 -24.7388 6.2133 6.2475 12.4798 12.5009 14.5392 14.5715 17.2887 17.3110 18.4248 18.4570 18.6239 18.6742 19.7201 19.7483 21.7568 21.8115 26.7456 26.7505 29.5599 29.5715 33.2798 33.2901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195-0.6620 ( 2183 PWs) bands (ev): -24.7222 -24.7214 6.8378 6.8746 11.6589 11.6794 14.8044 14.8438 17.1364 17.1577 18.3187 18.3264 18.5574 18.5793 19.7790 19.7951 21.8192 21.8684 28.0034 28.0114 28.3932 28.4032 32.4726 32.5109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195-0.5206 ( 2182 PWs) bands (ev): -24.7035 -24.7029 7.4823 7.5142 11.1013 11.1183 15.1648 15.2055 16.9851 17.0076 17.8206 17.8478 18.7822 18.8174 19.7318 19.7431 21.9871 22.0174 27.1046 27.1157 28.8676 28.8856 31.3173 31.3588 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195-0.3792 ( 2177 PWs) bands (ev): -24.6874 -24.6870 7.8285 7.8435 11.1949 11.2109 15.1374 15.1694 16.9588 16.9919 17.4887 17.5052 19.1060 19.1561 19.7225 19.7504 22.3590 22.3633 26.5472 26.5532 27.9165 27.9292 29.6571 29.6971 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6195-0.2378 ( 2180 PWs) bands (ev): -24.6761 -24.6760 7.8221 7.8233 11.8844 11.9030 14.6364 14.6587 16.8724 16.9212 17.7119 17.7418 19.1253 19.1835 19.9931 20.0310 23.1598 23.1752 25.7080 25.7287 26.6895 26.7246 28.4955 28.5285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5102 0.0000 ( 2184 PWs) bands (ev): -24.7008 -24.7006 6.7309 6.7413 13.6244 13.6324 14.0536 14.0720 17.2589 17.3093 17.9904 18.0071 18.2377 18.2950 20.6152 20.6639 24.2626 24.2844 24.9956 24.9973 26.7757 26.7824 27.9525 27.9839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5102 0.1414 ( 2176 PWs) bands (ev): -24.7004 -24.7003 6.8268 6.8357 13.0264 13.0413 14.4585 14.4767 17.1957 17.2258 17.7540 17.7711 18.6557 18.7185 20.2560 20.3004 24.2396 24.2667 25.1275 25.1652 26.6645 26.6807 28.3714 28.4002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5102 0.2828 ( 2180 PWs) bands (ev): -24.7002 -24.7001 7.0946 7.0982 12.0525 12.0711 15.0191 15.0434 17.0436 17.0468 17.6452 17.6730 18.9959 19.0568 19.7763 19.8134 23.1309 23.1449 26.4984 26.5277 27.1960 27.2140 29.0202 29.0442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5102 0.4242 ( 2177 PWs) bands (ev): -24.7017 -24.7014 7.4213 7.4302 11.1640 11.1751 15.4708 15.5053 16.8293 16.8323 17.7761 17.8149 18.8731 18.9153 19.6474 19.6653 22.4258 22.4316 26.7720 26.7746 29.1089 29.1181 29.9365 29.9796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5102 0.5656 ( 2183 PWs) bands (ev): -24.7060 -24.7054 7.5004 7.5286 10.8582 10.8685 15.3916 15.4363 16.8389 16.8536 18.0900 18.0961 18.6057 18.6197 19.7366 19.7404 22.0681 22.0964 27.1150 27.1165 29.6596 29.6615 31.1555 31.2095 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5102 0.7070 ( 2181 PWs) bands (ev): -24.7125 -24.7117 7.1474 7.1844 11.4305 11.4512 14.9344 14.9748 17.0911 17.1160 18.0373 18.0600 18.6842 18.7203 19.7563 19.7699 21.8156 21.8574 27.2979 27.3121 28.7937 28.8165 32.1706 32.2126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5102 0.8484 ( 2174 PWs) bands (ev): -24.7191 -24.7183 6.6914 6.7270 12.5293 12.5517 14.5382 14.5693 17.1314 17.1723 18.1302 18.1381 18.5857 18.6325 19.6447 19.6672 21.5712 21.6133 25.8767 25.8786 30.0470 30.0602 33.0463 33.0689 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5102 0.9898 ( 2174 PWs) bands (ev): -24.7233 -24.7225 6.4133 6.4462 13.4591 13.4852 14.5183 14.5371 16.6301 16.6530 18.4007 18.4333 18.4895 18.5399 19.5004 19.5310 21.3432 21.3714 24.8414 24.8487 32.1184 32.1241 33.4829 33.5159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008 0.0964 ( 2175 PWs) bands (ev): -24.7333 -24.7330 5.9518 5.9631 13.8628 13.8697 14.4012 14.4032 17.4409 17.4702 17.9647 18.0044 18.2691 18.3168 20.2593 20.3074 24.3867 24.4212 25.0748 25.1124 27.3727 27.3966 28.5648 28.5967 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008 0.2378 ( 2176 PWs) bands (ev): -24.7263 -24.7262 6.2387 6.2480 13.0245 13.0430 14.7270 14.7417 17.2100 17.2383 18.0154 18.0600 18.6978 18.7514 19.7211 19.7605 23.5789 23.6018 26.4571 26.5018 27.1853 27.2181 29.2111 29.2387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008 0.3792 ( 2173 PWs) bands (ev): -24.7162 -24.7162 6.7387 6.7429 11.9560 11.9745 15.2504 15.2692 16.9686 16.9926 18.0576 18.0953 18.7571 18.7958 19.5024 19.5253 22.8070 22.8179 26.7617 26.7671 28.8709 28.8952 29.7765 29.7927 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008 0.5206 ( 2180 PWs) bands (ev): -24.7065 -24.7062 7.3190 7.3272 11.1192 11.1276 15.5605 15.5929 16.7594 16.7646 18.0526 18.0730 18.6222 18.6429 19.6304 19.6369 22.3920 22.4003 26.8640 26.8653 29.9888 29.9982 30.1498 30.1842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008 0.6620 ( 2179 PWs) bands (ev): -24.6992 -24.6987 7.6179 7.6448 11.0108 11.0252 15.2598 15.2995 16.9437 16.9639 17.7033 17.7328 18.8671 18.9043 19.7138 19.7270 22.0882 22.1105 26.9648 26.9733 28.7974 28.8104 30.8226 30.8633 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008 0.8034 ( 2172 PWs) bands (ev): -24.6951 -24.6944 7.4497 7.4837 11.8813 11.9043 14.7553 14.7867 16.9938 17.0443 17.7731 17.7884 18.7471 18.7863 19.6650 19.6851 21.7418 21.7692 25.9218 25.9326 29.1040 29.1162 31.2894 31.3259 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008 0.9448 ( 2172 PWs) bands (ev): -24.6933 -24.6927 7.1958 7.2287 13.2490 13.2714 14.3842 14.4070 16.3941 16.4305 18.1878 18.2217 18.4280 18.4683 19.5546 19.5776 21.3373 21.3591 24.8282 24.8344 30.7745 30.7915 31.4752 31.5221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008 1.0863 ( 2174 PWs) bands (ev): -24.6930 -24.6924 7.1211 7.1533 13.9873 14.0070 14.2082 14.2256 15.9339 15.9459 18.2194 18.2449 18.4966 18.5168 19.5149 19.5387 21.1709 21.1895 24.5574 24.5621 31.4577 31.5033 31.9873 31.9887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008-0.8934 ( 2174 PWs) bands (ev): -24.6938 -24.6931 7.2753 7.3089 12.7367 12.7601 14.4963 14.5219 16.6782 16.7230 18.0568 18.0830 18.5095 18.5496 19.5933 19.6156 21.4830 21.5075 25.1397 25.1472 30.1071 30.1178 31.4273 31.4713 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008-0.7520 ( 2177 PWs) bands (ev): -24.6962 -24.6956 7.5440 7.5771 11.4730 11.4945 14.9330 14.9679 17.0526 17.0960 17.6696 17.6800 18.8493 18.8880 19.6961 19.7141 21.8764 21.9034 26.4264 26.4395 28.7264 28.7424 31.1581 31.1922 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008-0.6106 ( 2183 PWs) bands (ev): -24.7015 -24.7010 7.5693 7.5898 10.9333 10.9417 15.4236 15.4638 16.8409 16.8524 17.8141 17.8479 18.7902 18.8255 19.6985 19.7087 22.1991 22.2172 26.9715 26.9742 29.2635 29.2719 30.5861 30.6322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008-0.4692 ( 2177 PWs) bands (ev): -24.7098 -24.7096 7.1170 7.1196 11.3679 11.3810 15.5101 15.5356 16.8009 16.8155 18.1231 18.1331 18.6123 18.6228 19.5760 19.5847 22.5179 22.5194 26.8164 26.8171 29.7651 29.8117 30.1117 30.1238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008-0.3278 ( 2170 PWs) bands (ev): -24.7200 -24.7200 6.5366 6.5432 12.3401 12.3597 15.0579 15.0751 17.0676 17.0942 18.0267 18.0690 18.8049 18.8523 19.5209 19.5531 23.0416 23.0583 26.7319 26.7445 28.1877 28.2039 29.5596 29.5816 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008-0.1864 ( 2173 PWs) bands (ev): -24.7294 -24.7292 6.1072 6.1175 13.3857 13.4015 14.5694 14.5817 17.2847 17.3134 18.0100 18.0553 18.5558 18.6106 19.9053 19.9478 23.9194 23.9446 25.9385 25.9793 27.1059 27.1339 29.0048 29.0349 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4008-0.0450 ( 2177 PWs) bands (ev): -24.7344 -24.7342 5.9071 5.9186 13.9868 13.9981 14.3751 14.3843 17.5483 17.5755 17.8985 17.9203 18.1708 18.1969 20.4072 20.4577 24.4376 24.4665 24.8875 24.9116 27.6534 27.6797 28.2499 28.2797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 0.1928 ( 2166 PWs) bands (ev): -24.7573 -24.7569 5.4827 5.4946 13.8178 13.8220 14.4683 14.4815 17.3849 17.4208 18.4584 18.5050 18.5728 18.6228 19.6188 19.6592 23.8793 23.9129 26.3420 26.3768 27.7056 27.7343 29.4328 29.4559 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 0.3342 ( 2166 PWs) bands (ev): -24.7388 -24.7386 5.9993 6.0098 13.0004 13.0198 14.6938 14.7019 17.2552 17.2891 18.4193 18.4467 18.6666 18.6897 19.3478 19.3804 23.1954 23.2235 26.9697 26.9872 28.5574 28.5905 29.4823 29.4901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 0.4756 ( 2171 PWs) bands (ev): -24.7165 -24.7164 6.7456 6.7513 11.9631 11.9814 15.2036 15.2184 16.9829 17.0077 18.0512 18.0864 18.6963 18.7303 19.5071 19.5268 22.7721 22.7869 26.9842 26.9922 28.8900 28.9135 29.8175 29.8280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 0.6170 ( 2177 PWs) bands (ev): -24.6954 -24.6952 7.5543 7.5610 11.2840 11.2983 15.2800 15.3087 16.9278 16.9400 17.4967 17.5319 19.0694 19.1172 19.6592 19.6838 22.4813 22.4852 26.8854 26.8909 28.1482 28.1675 29.8134 29.8495 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 0.7584 ( 2173 PWs) bands (ev): -24.6789 -24.6785 8.0097 8.0330 11.4454 11.4676 14.8483 14.8743 16.8308 16.8808 17.5842 17.6072 19.0826 19.1305 19.7445 19.7741 22.1122 22.1220 25.9003 25.9143 28.0114 28.0272 29.8605 29.9162 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 0.8999 ( 2181 PWs) bands (ev): -24.6685 -24.6680 7.9923 8.0205 12.5338 12.5587 14.4116 14.4282 16.3587 16.4012 18.0530 18.0858 18.6766 18.7220 19.6675 19.7003 21.6457 21.6577 24.7761 24.7898 28.9654 28.9955 29.9970 30.0585 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 1.0413 ( 2175 PWs) bands (ev): -24.6644 -24.6640 7.9124 7.9403 13.6279 13.6374 14.2040 14.2127 15.6913 15.7107 18.0375 18.0579 18.7282 18.7607 19.5936 19.6301 21.2987 21.3108 24.3670 24.3724 29.4429 29.4946 31.0968 31.1138 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 1.1827 ( 2181 PWs) bands (ev): -24.6667 -24.6663 7.9625 7.9907 12.8964 12.9199 14.3286 14.3429 16.1639 16.2020 18.0953 18.1270 18.6374 18.6790 19.6384 19.6720 21.5175 21.5294 24.5946 24.6064 29.2048 29.2415 30.1647 30.2138 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915-0.7970 ( 2174 PWs) bands (ev): -24.6754 -24.6750 8.0359 8.0618 11.6729 11.6971 14.7143 14.7378 16.7333 16.7824 17.7214 17.7457 18.9870 19.0338 19.7376 19.7683 21.9930 22.0043 25.5351 25.5501 28.2213 28.2385 29.8710 29.9322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915-0.6556 ( 2179 PWs) bands (ev): -24.6904 -24.6901 7.7332 7.7447 11.2234 11.2387 15.1900 15.2199 16.9510 16.9782 17.4243 17.4523 19.1321 19.1814 19.6914 19.7179 22.3919 22.3962 26.7519 26.7584 27.9331 27.9526 29.8275 29.8670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915-0.5142 ( 2168 PWs) bands (ev): -24.7104 -24.7104 6.9734 6.9768 11.7247 11.7417 15.2905 15.3090 16.9275 16.9469 17.8801 17.9190 18.7943 18.8333 19.5562 19.5763 22.6915 22.7026 26.9745 26.9814 28.7757 28.7912 29.8239 29.8450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915-0.3728 ( 2170 PWs) bands (ev): -24.7329 -24.7327 6.1835 6.1931 12.7045 12.7244 14.8420 14.8514 17.1877 17.2200 18.3888 18.4086 18.6236 18.6351 19.3720 19.3983 23.0517 23.0767 26.9862 27.0000 28.8037 28.8456 29.5558 29.5698 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915-0.2314 ( 2170 PWs) bands (ev): -24.7529 -24.7526 5.5974 5.6091 13.6995 13.7092 14.4236 14.4283 17.3646 17.4006 18.5022 18.5135 18.6207 18.6431 19.4969 19.5371 23.6808 23.7136 26.6584 26.6914 27.7859 27.8096 29.4422 29.4618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915-0.0900 ( 2175 PWs) bands (ev): -24.7655 -24.7651 5.2777 5.2897 13.7507 13.7611 14.9178 14.9378 17.4185 17.4524 18.1794 18.2327 18.6063 18.6567 19.9770 20.0201 24.3318 24.3655 25.4207 25.4525 27.8831 27.9222 29.3513 29.3736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2915 0.0514 ( 2179 PWs) bands (ev): -24.7671 -24.7667 5.2391 5.2511 13.7168 13.7274 15.0462 15.0660 17.4274 17.4601 18.0973 18.1525 18.6111 18.6623 20.0743 20.1186 24.4458 24.4754 25.1872 25.2134 27.9782 28.0201 29.3105 29.3260 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 0.3857 ( 2169 PWs) bands (ev): -24.7292 -24.7289 6.3454 6.3600 12.5668 12.5843 14.7444 14.7483 17.1981 17.2291 18.3395 18.3459 18.3738 18.3948 19.4963 19.5181 22.8089 22.8436 27.6497 27.6655 29.2094 29.2196 29.2652 29.2981 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 0.5271 ( 2167 PWs) bands (ev): -24.7076 -24.7075 7.1061 7.1146 11.6688 11.6848 15.1681 15.1754 16.9656 16.9860 17.6972 17.7325 18.7967 18.8296 19.5951 19.6103 22.5748 22.5940 27.4813 27.4882 28.5141 28.5290 30.0647 30.0952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 0.6685 ( 2173 PWs) bands (ev): -24.6886 -24.6885 7.7583 7.7655 11.3334 11.3508 15.1013 15.1201 16.9186 16.9573 17.2708 17.3055 19.2511 19.3013 19.6716 19.6988 22.3765 22.3823 26.9449 26.9561 27.5470 27.5778 30.1844 30.2343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 0.8099 ( 2172 PWs) bands (ev): -24.6749 -24.6746 7.9578 7.9773 11.8892 11.9135 14.6765 14.6924 16.5895 16.6300 17.6553 17.6782 19.1369 19.1858 19.8003 19.8316 22.1381 22.1549 25.4559 25.4730 27.7893 27.8092 30.0736 30.1414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 0.9513 ( 2174 PWs) bands (ev): -24.6672 -24.6669 7.8835 7.9061 12.9747 12.9953 14.2956 14.3040 16.2035 16.2367 18.0726 18.1019 18.8198 18.8786 19.5802 19.6315 21.8121 21.8272 24.6832 24.6991 28.6262 28.6544 29.9019 29.9697 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 1.0927 ( 2171 PWs) bands (ev): -24.6656 -24.6652 7.8508 7.8736 13.4178 13.4282 14.1662 14.1696 16.0253 16.0514 18.1678 18.1894 18.7256 18.7834 19.5049 19.5640 21.6810 21.6939 24.5671 24.5798 29.0909 29.1347 29.8266 29.8651 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 1.2341 ( 2174 PWs) bands (ev): -24.6700 -24.6696 7.9254 7.9474 12.4698 12.4938 14.4495 14.4613 16.3888 16.4262 17.9099 17.9372 18.9628 19.0171 19.6919 19.7335 21.9698 21.9869 24.9238 24.9417 28.1918 28.2124 29.9776 30.0475 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 1.3755 ( 2175 PWs) bands (ev): -24.6804 -24.6802 7.9252 7.9403 11.5282 11.5500 14.8828 14.9013 16.7468 16.7892 17.4403 17.4638 19.2405 19.2888 19.7881 19.8153 22.2515 22.2637 26.0950 26.1087 27.5929 27.6153 30.1432 30.2053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429-0.6042 ( 2168 PWs) bands (ev): -24.6967 -24.6966 7.5038 7.5071 11.3878 11.4032 15.2027 15.2175 16.9550 16.9728 17.3704 17.4092 19.0949 19.1362 19.6186 19.6382 22.4707 22.4807 27.3495 27.3589 27.8792 27.9082 30.1697 30.2097 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429-0.4628 ( 2166 PWs) bands (ev): -24.7173 -24.7171 6.7517 6.7638 12.0321 12.0493 15.0146 15.0179 17.0443 17.0708 18.0117 18.0423 18.5612 18.5903 19.5603 19.5767 22.6663 22.6930 27.5651 27.5759 28.9065 28.9147 29.8193 29.8398 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429-0.3214 ( 2162 PWs) bands (ev): -24.7387 -24.7383 6.0443 6.0598 13.0539 13.0700 14.5055 14.5123 17.3377 17.3717 18.2527 18.2784 18.5276 18.5605 19.4442 19.4738 22.9744 23.0137 27.6313 27.6471 28.6436 28.6592 29.4774 29.5048 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429-0.1800 ( 2171 PWs) bands (ev): -24.7559 -24.7554 5.5515 5.5674 13.7813 13.7904 14.4078 14.4354 17.5529 17.5908 18.2289 18.2633 18.4885 18.5353 19.4651 19.5075 23.4532 23.4930 26.4395 26.4554 28.5331 28.5702 29.8921 29.9357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429-0.0386 ( 2180 PWs) bands (ev): -24.7644 -24.7639 5.3298 5.3453 13.6520 13.6571 15.0469 15.0658 17.6357 17.6683 18.0654 18.0779 18.4381 18.4410 19.6037 19.6462 23.8023 23.8234 25.4241 25.4347 28.9422 28.9669 30.1839 30.2032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 0.1028 ( 2179 PWs) bands (ev): -24.7618 -24.7613 5.3954 5.4110 13.7077 13.7139 14.8131 14.8362 17.6083 17.6442 18.1693 18.1818 18.4299 18.4507 19.5476 19.5906 23.6847 23.7173 25.7508 25.7678 28.7871 28.8225 30.0728 30.1127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2429 0.2442 ( 2172 PWs) bands (ev): -24.7489 -24.7484 5.7439 5.7598 13.5992 13.6084 14.2963 14.3131 17.4765 17.5137 18.2211 18.2511 18.5680 18.6103 19.4267 19.4655 23.2273 23.2688 27.1189 27.1306 28.3909 28.4223 29.7175 29.7552 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 0.4821 ( 2173 PWs) bands (ev): -24.7198 -24.7194 6.5778 6.5959 12.5834 12.6016 14.6715 14.6841 17.2473 17.2808 17.7236 17.7555 18.7430 18.7817 19.5190 19.5454 22.7012 22.7392 27.0377 27.0523 28.4821 28.5159 30.2641 30.2935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 0.6235 ( 2173 PWs) bands (ev): -24.6887 -24.6886 7.5479 7.5603 11.8660 11.8873 14.8767 14.8881 16.8569 16.8952 17.3944 17.4243 19.2164 19.2679 19.6644 19.6959 22.5026 22.5268 26.2995 26.3134 27.5858 27.6062 30.2067 30.2568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 0.7649 ( 2176 PWs) bands (ev): -24.6633 -24.6633 8.3622 8.3687 11.6884 11.7133 14.5645 14.5750 16.4444 16.4810 17.7402 17.7620 19.1480 19.1819 20.2575 20.2819 22.2825 22.2894 25.2521 25.2658 26.7945 26.8276 29.5110 29.5880 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 0.9063 ( 2179 PWs) bands (ev): -24.6469 -24.6468 8.6974 8.7109 12.2444 12.2674 14.0554 14.0612 16.2457 16.2763 18.1878 18.2154 18.9498 18.9822 20.2403 20.2775 22.0549 22.0670 24.5081 24.5329 26.8853 26.9156 28.8578 28.9367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 1.0477 ( 2172 PWs) bands (ev): -24.6407 -24.6405 8.7429 8.7582 12.8917 12.8968 13.6514 13.6595 16.1540 16.1786 18.4141 18.4281 18.8362 18.8838 19.9571 20.0119 21.8610 21.8708 24.4339 24.4625 27.5132 27.5616 28.2982 28.3156 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 1.1891 ( 2175 PWs) bands (ev): -24.6450 -24.6449 8.7165 8.7307 12.3903 12.4114 13.9649 13.9703 16.2206 16.2499 18.2523 18.2801 18.9196 18.9536 20.1727 20.2132 22.0065 22.0186 24.4688 24.4948 26.9869 27.0187 28.7457 28.8223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 1.3305 ( 2177 PWs) bands (ev): -24.6596 -24.6596 8.4608 8.4683 11.7395 11.7649 14.4751 14.4848 16.3976 16.4332 17.8253 17.8475 19.1117 19.1445 20.3183 20.3446 22.2444 22.2506 25.0528 25.0685 26.7474 26.7803 29.3822 29.4608 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 1.4719 ( 2176 PWs) bands (ev): -24.6836 -24.6834 7.7198 7.7306 11.7827 11.8045 14.8544 14.8660 16.7615 16.7997 17.4306 17.4575 19.2389 19.2856 19.7660 19.7934 22.4631 22.4842 26.1427 26.1553 27.3904 27.4127 30.1031 30.1605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336-0.5078 ( 2171 PWs) bands (ev): -24.7140 -24.7136 6.7497 6.7673 12.4290 12.4479 14.7429 14.7548 17.2041 17.2392 17.5985 17.6332 18.8354 18.8761 19.5253 19.5520 22.6659 22.7018 26.9062 26.9215 28.3638 28.3950 30.3139 30.3439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336-0.3664 ( 2169 PWs) bands (ev): -24.7459 -24.7454 5.8759 5.8949 13.2982 13.3082 14.3215 14.3416 17.4704 17.5037 18.1633 18.1818 18.5667 18.6000 19.4821 19.5152 22.8894 22.9344 27.6664 27.6791 28.6108 28.6431 29.9293 29.9575 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336-0.2250 ( 2175 PWs) bands (ev): -24.7732 -24.7726 5.2388 5.2563 13.4516 13.4538 14.6658 14.6949 17.7389 17.7738 18.1877 18.1967 18.7575 18.7961 19.5234 19.5683 23.2700 23.3152 27.4101 27.4204 28.4914 28.5142 30.1826 30.2154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336-0.0836 ( 2184 PWs) bands (ev): -24.7895 -24.7890 4.8949 4.9102 13.1892 13.1900 15.3781 15.3992 17.8795 17.9096 18.1902 18.2046 18.7398 18.7727 19.6613 19.7049 23.8126 23.8444 25.9364 25.9519 29.0971 29.1166 30.8954 30.9279 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 0.0578 ( 2181 PWs) bands (ev): -24.7909 -24.7904 4.8659 4.8810 13.1636 13.1641 15.4527 15.4723 17.9012 17.9316 18.1706 18.1822 18.7430 18.7745 19.6767 19.7203 23.9023 23.9288 25.7571 25.7714 29.1548 29.1700 30.9980 31.0228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 0.1993 ( 2177 PWs) bands (ev): -24.7771 -24.7765 5.1535 5.1705 13.3963 13.3981 14.8151 14.8429 17.7709 17.8050 18.1976 18.2091 18.7579 18.7961 19.5496 19.5944 23.3609 23.4048 27.1155 27.1266 28.6296 28.6543 30.3012 30.3374 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1336 0.3407 ( 2172 PWs) bands (ev): -24.7515 -24.7509 5.7401 5.7590 13.4233 13.4292 14.2820 14.3058 17.5259 17.5597 18.1824 18.1945 18.6087 18.6411 19.4763 19.5124 22.9436 22.9894 27.8148 27.8283 28.4983 28.5256 29.9028 29.9293 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 0.5785 ( 2171 PWs) bands (ev): -24.6966 -24.6962 7.1132 7.1346 12.7751 12.7965 14.5469 14.5617 16.8454 16.8855 17.6747 17.7069 18.8987 18.9552 19.4841 19.5257 22.3765 22.4062 25.5191 25.5359 28.6661 28.6850 30.7633 30.8075 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 0.7199 ( 2172 PWs) bands (ev): -24.6611 -24.6609 8.2579 8.2732 12.1694 12.1937 14.3841 14.3924 16.3582 16.3932 17.9297 17.9556 19.0438 19.0833 20.0424 20.0764 22.1675 22.1837 24.8646 24.8849 27.2454 27.2703 29.4612 29.5376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 0.8613 ( 2180 PWs) bands (ev): -24.6355 -24.6354 9.2229 9.2298 11.9794 12.0035 13.7968 13.8023 16.2412 16.2684 18.3405 18.3708 18.9187 18.9381 20.6024 20.6367 22.0987 22.1060 24.3186 24.3458 26.2603 26.2928 28.3492 28.4324 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 1.0027 ( 2168 PWs) bands (ev): -24.6227 -24.6227 9.6645 9.6710 12.3097 12.3213 13.1918 13.2013 16.2290 16.2493 18.6428 18.6805 18.8636 18.8778 20.4363 20.4695 22.0362 22.0451 24.4744 24.5104 26.3860 26.4212 27.2710 27.3338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 1.1441 ( 2174 PWs) bands (ev): -24.6240 -24.6240 9.6255 9.6318 12.2323 12.2476 13.2860 13.2939 16.2298 16.2510 18.6052 18.6442 18.8675 18.8804 20.4829 20.5158 22.0484 22.0580 24.4301 24.4640 26.2714 26.3020 27.4801 27.5505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 1.2855 ( 2179 PWs) bands (ev): -24.6392 -24.6392 9.0794 9.0874 11.9714 11.9961 13.9142 13.9200 16.2487 16.2774 18.2674 18.2957 18.9395 18.9623 20.5603 20.5944 22.1029 22.1096 24.3706 24.3964 26.3645 26.3974 28.5356 28.6185 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 1.4269 ( 2173 PWs) bands (ev): -24.6669 -24.6667 8.0523 8.0691 12.2566 12.2805 14.4584 14.4676 16.4120 16.4480 17.8629 17.8894 19.0565 19.1009 19.8973 19.9331 22.1973 22.2160 24.9893 25.0089 27.5089 27.5306 29.6976 29.7710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 1.5683 ( 2172 PWs) bands (ev): -24.7038 -24.7033 6.9103 6.9323 12.9077 12.9283 14.5132 14.5297 16.9743 17.0163 17.6678 17.7021 18.8151 18.8681 19.4661 19.5043 22.4234 22.4554 25.6335 25.6494 28.8733 28.8961 30.9005 30.9363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243-0.4114 ( 2177 PWs) bands (ev): -24.7440 -24.7434 5.8961 5.9182 13.4767 13.4870 14.3358 14.3652 17.5542 17.5924 17.9345 17.9655 18.5270 18.5737 19.4764 19.5130 22.7215 22.7640 26.2909 26.3014 29.4881 29.5263 30.9085 30.9449 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243-0.2700 ( 2189 PWs) bands (ev): -24.7803 -24.7796 5.1238 5.1427 13.1788 13.1828 14.9342 14.9608 17.8798 17.8898 18.0553 18.1074 18.8440 18.8840 19.6339 19.6794 23.1373 23.1822 26.9004 26.9100 29.0062 29.0236 30.9855 31.0176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243-0.1286 ( 2184 PWs) bands (ev): -24.8050 -24.8045 4.6532 4.6674 12.8054 12.8090 15.5203 15.5385 18.0507 18.0809 18.2879 18.3501 18.8830 18.9104 19.9772 20.0087 23.8002 23.8364 26.4217 26.4319 28.9439 28.9566 30.7417 30.7693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 0.0129 ( 2189 PWs) bands (ev): -24.8127 -24.8122 4.5142 4.5263 12.6847 12.6879 15.7037 15.7159 18.1410 18.1603 18.4319 18.4529 18.8245 18.8593 20.1037 20.1330 24.3744 24.3893 25.6350 25.6428 29.4154 29.4210 30.3055 30.3111 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 0.1543 ( 2185 PWs) bands (ev): -24.8017 -24.8011 4.7146 4.7297 12.8575 12.8612 15.4399 15.4599 18.0221 18.0529 18.2391 18.3052 18.8958 18.9234 19.9231 19.9564 23.6579 23.6966 26.6215 26.6309 28.8498 28.8615 30.8407 30.8699 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 0.2957 ( 2184 PWs) bands (ev): -24.7743 -24.7737 5.2431 5.2627 13.2604 13.2645 14.8020 14.8298 17.8334 17.8387 18.0411 18.0823 18.7935 18.8350 19.5820 19.6283 23.0472 23.0925 26.8211 26.8305 29.1418 29.1638 30.9609 30.9937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0243 0.4371 ( 2176 PWs) bands (ev): -24.7367 -24.7362 6.0648 6.0873 13.4314 13.4444 14.3212 14.3483 17.4799 17.5239 17.8636 17.8997 18.5291 18.5766 19.4692 19.5041 22.6615 22.7025 26.1667 26.1780 29.4547 29.4924 30.9337 30.9686 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 0.6749 ( 2175 PWs) bands (ev): -24.6668 -24.6665 7.8760 7.8987 13.0674 13.0868 14.2692 14.2769 16.1670 16.1991 18.0964 18.1253 18.7966 18.8557 19.5621 19.6151 21.7833 21.7979 24.6529 24.6682 28.7157 28.7465 29.8875 29.9538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 0.8163 ( 2177 PWs) bands (ev): -24.6335 -24.6333 9.1410 9.1559 12.4826 12.5014 13.6423 13.6455 16.1387 16.1628 18.2626 18.2828 18.9685 18.9953 20.2289 20.2704 21.8465 21.8531 24.2402 24.2691 26.8910 26.9330 28.5895 28.6523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 0.9577 ( 2175 PWs) bands (ev): -24.6138 -24.6138 10.2331 10.2391 12.1316 12.1456 12.9092 12.9158 16.1864 16.2018 18.2957 18.3119 19.2715 19.2785 20.5242 20.5486 22.0381 22.0454 24.4412 24.4746 25.9350 25.9760 27.4209 27.4689 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 1.0991 ( 2173 PWs) bands (ev): -24.6101 -24.6100 10.5251 10.5282 12.0627 12.0695 12.6975 12.7094 16.1896 16.2031 18.2919 18.3059 19.4198 19.4276 20.4478 20.4642 22.0767 22.0831 24.7666 24.7947 25.7675 25.7924 26.9810 27.0084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 1.2405 ( 2177 PWs) bands (ev): -24.6226 -24.6225 9.6818 9.6923 12.2909 12.3085 13.2909 13.2941 16.1682 16.1878 18.2919 18.3107 19.0790 19.0925 20.4679 20.5027 21.9441 21.9504 24.1991 24.2324 26.3417 26.3855 28.0605 28.1214 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 1.3819 ( 2174 PWs) bands (ev): -24.6502 -24.6499 8.4535 8.4731 12.7773 12.7966 14.0370 14.0413 16.1151 16.1445 18.1829 18.2072 18.8844 18.9320 19.8321 19.8817 21.7745 21.7852 24.4483 24.4694 27.8115 27.8486 29.2546 29.3188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 1.5233 ( 2170 PWs) bands (ev): -24.6893 -24.6888 7.2022 7.2272 13.4428 13.4620 14.3398 14.3553 16.4054 16.4383 18.0091 18.0422 18.6279 18.6828 19.4191 19.4631 21.8824 21.9018 24.8896 24.8999 29.7076 29.7252 30.8645 30.9226 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 1.6647 ( 2172 PWs) bands (ev): -24.7342 -24.7335 6.0846 6.1098 13.6593 13.6722 14.4703 14.4959 17.1584 17.1941 18.0223 18.0600 18.4359 18.4841 19.4125 19.4512 22.2882 22.3164 25.2762 25.2832 30.7316 30.7650 31.8397 31.8762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851-0.3149 ( 2191 PWs) bands (ev): -24.7770 -24.7763 5.1964 5.2175 13.0790 13.0884 15.1392 15.1604 17.6565 17.6769 18.2198 18.2631 18.7602 18.8163 19.5932 19.6470 22.9289 22.9631 25.6180 25.6284 30.5008 30.5279 31.9491 31.9876 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851-0.1735 ( 2194 PWs) bands (ev): -24.8092 -24.8087 4.6037 4.6177 12.5917 12.5978 15.5871 15.6010 17.8999 17.9179 18.5497 18.5959 18.9871 19.0151 20.1078 20.1384 23.7945 23.8258 25.8362 25.8457 29.5553 29.5696 30.8223 30.8489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851-0.0321 ( 2198 PWs) bands (ev): -24.8240 -24.8237 4.3482 4.3556 12.3707 12.3740 15.7494 15.7555 18.0236 18.0335 18.8459 18.8641 18.9779 18.9916 20.4466 20.4614 24.8054 24.8203 25.4888 25.4949 28.9505 28.9551 29.8855 29.8949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 0.1093 ( 2199 PWs) bands (ev): -24.8184 -24.8180 4.4443 4.4547 12.4544 12.4590 15.6911 15.7010 17.9744 17.9890 18.7066 18.7443 19.0015 19.0173 20.3132 20.3337 24.2623 24.2884 25.7706 25.7776 29.1748 29.1850 30.2675 30.2875 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 0.2507 ( 2188 PWs) bands (ev): -24.7934 -24.7927 4.8873 4.9053 12.8301 12.8382 15.3819 15.4002 17.7813 17.8002 18.3554 18.4042 18.9066 18.9536 19.8062 19.8528 23.2924 23.3268 25.7506 25.7616 30.0977 30.1188 31.5868 31.6215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 0.3921 ( 2179 PWs) bands (ev): -24.7544 -24.7537 5.6479 5.6717 13.4097 13.4206 14.7799 14.8033 17.4378 17.4686 18.1009 18.1363 18.5331 18.5843 19.4575 19.5037 22.5529 22.5845 25.4360 25.4444 30.7909 30.8259 31.9065 31.9467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0851 0.5335 ( 2172 PWs) bands (ev): -24.7094 -24.7089 6.6710 6.6967 13.7024 13.7211 14.2895 14.3138 16.7345 16.7685 17.9811 18.0170 18.4935 18.5427 19.3964 19.4339 22.0339 22.0574 25.0727 25.0802 30.2970 30.3175 31.6321 31.6690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 0.7713 ( 2165 PWs) bands (ev): -24.6399 -24.6396 8.7607 8.7813 13.1577 13.1623 13.6903 13.6934 15.9116 15.9315 18.0204 18.0343 19.0333 19.0758 19.8796 19.9317 21.5493 21.5566 24.1949 24.2156 27.7095 27.7663 29.7746 29.7836 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 0.9127 ( 2172 PWs) bands (ev): -24.6146 -24.6145 10.0447 10.0548 12.6920 12.6966 12.7373 12.7403 16.0785 16.0876 17.8951 17.9014 19.5212 19.5395 20.5271 20.5596 21.8610 21.8628 24.0903 24.1276 26.0621 26.1298 28.4914 28.5285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 1.0541 ( 2174 PWs) bands (ev): -24.6053 -24.6053 10.9916 10.9919 11.8668 11.8672 12.5837 12.5838 16.1051 16.1054 17.8386 17.8389 20.0498 20.0515 20.4675 20.4698 22.0463 22.0463 24.8686 24.9198 24.9679 25.0215 27.4835 27.4862 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 1.1955 ( 2170 PWs) bands (ev): -24.6131 -24.6130 10.1562 10.1652 12.5993 12.6043 12.7116 12.7140 16.0848 16.0930 17.8860 17.8917 19.5746 19.5913 20.5538 20.5840 21.8885 21.8900 24.1219 24.1601 25.9520 26.0200 28.3436 28.3798 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 1.3369 ( 2168 PWs) bands (ev): -24.6370 -24.6368 8.8791 8.8989 13.1094 13.1138 13.6055 13.6091 15.9325 15.9517 18.0084 18.0216 19.0728 19.1134 19.9444 19.9955 21.5731 21.5797 24.1650 24.1874 27.5227 27.5807 29.6728 29.6817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 1.4783 ( 2174 PWs) bands (ev): -24.6742 -24.6738 7.5964 7.6231 13.7294 13.7372 14.2429 14.2506 15.8626 15.8814 18.1210 18.1427 18.6339 18.6731 19.4749 19.5170 21.4532 21.4671 24.5339 24.5390 29.9295 29.9749 30.8590 30.8694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 1.6197 ( 2170 PWs) bands (ev): -24.7194 -24.7187 6.4222 6.4505 13.8520 13.8697 14.4663 14.4780 16.5687 16.5809 18.2019 18.2272 18.4241 18.4556 19.3923 19.4279 21.7423 21.7612 24.8512 24.8553 32.0323 32.0572 32.0694 32.0887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 1.7611 ( 2179 PWs) bands (ev): -24.7650 -24.7643 5.4466 5.4711 13.1360 13.1514 15.1328 15.1470 17.3030 17.3206 18.3830 18.4103 18.6749 18.7372 19.4937 19.5531 22.4443 22.4636 25.0295 25.0366 31.8871 31.9037 32.8369 32.8436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944-0.2185 ( 2197 PWs) bands (ev): -24.8023 -24.8017 4.7448 4.7614 12.5582 12.5681 15.5501 15.5613 17.6684 17.6837 18.7392 18.7599 18.9949 19.0452 19.9866 20.0319 23.5022 23.5173 25.0799 25.0853 31.0440 31.0454 31.1981 31.2123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944-0.0771 ( 2196 PWs) bands (ev): -24.8237 -24.8234 4.3731 4.3793 12.2455 12.2491 15.7190 15.7232 17.8312 17.8369 19.0529 19.0532 19.1229 19.1303 20.5094 20.5222 24.7317 24.7370 25.0742 25.0743 28.8491 28.8507 30.6563 30.6641 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 0.0643 ( 2196 PWs) bands (ev): -24.8246 -24.8244 4.3570 4.3621 12.2318 12.2348 15.7255 15.7290 17.8384 17.8432 19.0657 19.0671 19.1307 19.1350 20.5365 20.5470 24.8206 24.8243 25.0746 25.0756 28.7134 28.7149 30.6301 30.6367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 0.2057 ( 2199 PWs) bands (ev): -24.8050 -24.8045 4.6967 4.7124 12.5179 12.5272 15.5743 15.5850 17.6898 17.7044 18.7746 18.7941 19.0119 19.0583 20.0445 20.0862 23.6135 23.6279 25.0803 25.0854 30.8191 30.8196 31.1328 31.1479 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 0.3471 ( 2184 PWs) bands (ev): -24.7689 -24.7681 5.3704 5.3944 13.0747 13.0897 15.1826 15.1968 17.3494 17.3674 18.4092 18.4364 18.7117 18.7768 19.5192 19.5805 22.5265 22.5456 25.0387 25.0458 31.8329 31.8498 32.8055 32.8117 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 0.4885 ( 2166 PWs) bands (ev): -24.7237 -24.7230 6.3241 6.3522 13.7887 13.8065 14.5330 14.5451 16.6482 16.6606 18.2116 18.2369 18.4284 18.4610 19.3930 19.4297 21.7900 21.8091 24.8735 24.8781 32.0804 32.0999 32.1668 32.1812 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1944 0.6299 ( 2174 PWs) bands (ev): -24.6781 -24.6776 7.4837 7.5108 13.7937 13.8018 14.2480 14.2572 15.8958 15.9135 18.1287 18.1510 18.5986 18.6362 19.4578 19.4980 21.4612 21.4758 24.5674 24.5713 30.1777 30.2220 30.9706 30.9811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 0.8677 ( 2176 PWs) bands (ev): -24.6244 -24.6242 9.5754 9.5908 12.4081 12.4252 13.3828 13.3891 16.1025 16.1304 17.8844 17.9085 19.4257 19.4483 20.3078 20.3519 21.9505 21.9579 24.0283 24.0572 26.4214 26.4803 28.5205 28.5455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 1.0091 ( 2175 PWs) bands (ev): -24.6106 -24.6106 10.5241 10.5304 11.9331 11.9384 12.8599 12.8771 16.1193 16.1426 17.7626 17.7831 20.0960 20.1141 20.5884 20.6130 22.2817 22.2956 24.3140 24.3446 25.1871 25.2344 27.2870 27.3045 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 1.1505 ( 2177 PWs) bands (ev): -24.6128 -24.6127 10.3228 10.3311 12.0516 12.0604 12.9492 12.9636 16.1205 16.1446 17.7841 17.8054 19.9327 19.9513 20.5812 20.6138 22.2324 22.2466 24.1478 24.1807 25.4569 25.5132 27.5351 27.5584 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 1.2919 ( 2179 PWs) bands (ev): -24.6308 -24.6305 9.2592 9.2776 12.5426 12.5616 13.5883 13.5932 16.0804 16.1101 17.9309 17.9558 19.2410 19.2670 20.1441 20.1897 21.8194 21.8242 24.0867 24.1117 26.8919 26.9481 28.9134 28.9382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 1.4333 ( 2178 PWs) bands (ev): -24.6624 -24.6620 8.0541 8.0816 13.0783 13.1001 14.2505 14.2621 16.0113 16.0458 18.0805 18.1078 18.6869 18.7236 19.6491 19.6851 21.4576 21.4683 24.4655 24.4766 29.0892 29.1321 30.2281 30.2632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 1.5747 ( 2168 PWs) bands (ev): -24.7035 -24.7029 6.8849 6.9163 13.5265 13.5472 14.3370 14.3598 16.4730 16.5051 18.1573 18.1903 18.4758 18.5181 19.4825 19.5093 21.4631 21.4868 24.8754 24.8810 31.0583 31.0736 32.0555 32.0987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 1.7161 ( 2178 PWs) bands (ev): -24.7476 -24.7468 5.8599 5.8891 13.1934 13.2141 14.7399 14.7618 17.1281 17.1531 18.4032 18.4390 18.6021 18.6537 19.5082 19.5525 21.8896 21.9238 25.1819 25.1892 31.7097 31.7260 33.4739 33.4945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 1.8576 ( 2192 PWs) bands (ev): -24.7865 -24.7858 5.0704 5.0927 12.6489 12.6643 15.2748 15.2922 17.4600 17.4719 18.6854 18.7340 19.0496 19.1093 19.7734 19.8348 22.6476 22.6847 25.3271 25.3369 31.1554 31.1738 32.8037 32.8384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037-0.1221 ( 2201 PWs) bands (ev): -24.8123 -24.8119 4.5888 4.6019 12.2918 12.3006 15.5896 15.5993 17.6241 17.6318 18.9852 19.0217 19.2439 19.2678 20.2730 20.3019 23.6264 23.6542 25.1879 25.1957 29.7508 29.7579 31.8282 31.8533 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 0.0193 ( 2202 PWs) bands (ev): -24.8197 -24.8193 4.4578 4.4663 12.1938 12.1994 15.6683 15.6735 17.6711 17.6769 19.1454 19.1571 19.2326 19.2464 20.4554 20.4741 24.2835 24.2943 24.8334 24.8376 29.2257 29.2275 31.5399 31.5530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 0.1607 ( 2203 PWs) bands (ev): -24.8070 -24.8064 4.6865 4.7022 12.3648 12.3753 15.5288 15.5407 17.5902 17.5988 18.9057 18.9474 19.2214 19.2538 20.1484 20.1854 23.3460 23.3777 25.2690 25.2779 30.1058 30.1155 32.0355 32.0646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 0.3021 ( 2191 PWs) bands (ev): -24.7769 -24.7761 5.2578 5.2823 12.7850 12.8021 15.1457 15.1647 17.3934 17.4078 18.6081 18.6557 18.9349 18.9978 19.6625 19.7257 22.4143 22.4517 25.3070 25.3165 31.4582 31.4779 33.1159 33.1494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 0.4435 ( 2175 PWs) bands (ev): -24.7358 -24.7350 6.1197 6.1500 13.3427 13.3640 14.5849 14.6074 16.9792 17.0078 18.3132 18.3486 18.5296 18.5789 19.4856 19.5225 21.7354 21.7674 25.1125 25.1189 31.6161 31.6312 33.4415 33.4600 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 0.5849 ( 2169 PWs) bands (ev): -24.6917 -24.6911 7.1937 7.2246 13.4530 13.4740 14.3411 14.3625 16.2865 16.3192 18.1344 18.1665 18.4955 18.5365 19.5035 19.5304 21.4186 21.4387 24.7701 24.7762 30.7108 30.7356 31.3666 31.4180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3037 0.7263 ( 2178 PWs) bands (ev): -24.6526 -24.6522 8.3844 8.4098 12.9255 12.9470 14.1123 14.1203 16.0062 16.0402 18.0477 18.0737 18.8116 18.8462 19.7499 19.7903 21.5268 21.5345 24.3506 24.3648 28.4298 28.4765 29.8859 29.9163 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895-0.0964 ( 2169 PWs) bands (ev): -24.6253 -24.6252 9.6724 9.6777 11.9690 11.9814 13.2870 13.3042 16.3126 16.3540 18.1135 18.1599 19.5793 19.5962 20.5126 20.5460 22.9958 23.0207 24.1592 24.1810 25.6292 25.6672 27.1896 27.2005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895 0.0450 ( 2178 PWs) bands (ev): -24.6228 -24.6227 9.7723 9.7746 12.0258 12.0316 13.1361 13.1571 16.2983 16.3389 18.0890 18.1331 19.7094 19.7276 20.6073 20.6326 23.1076 23.1347 24.2581 24.2759 25.3810 25.4138 26.8501 26.8558 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895 0.1864 ( 2176 PWs) bands (ev): -24.6339 -24.6337 9.3286 9.3417 11.9078 11.9296 13.6783 13.6910 16.3543 16.3981 18.1759 18.2285 19.2136 19.2253 20.2460 20.2859 22.5483 22.5604 24.2628 24.2842 26.3722 26.4117 27.9822 28.0096 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895 0.3278 ( 2184 PWs) bands (ev): -24.6574 -24.6570 8.4593 8.4854 12.0640 12.0902 14.3201 14.3356 16.4513 16.4988 18.1504 18.1955 18.6874 18.7137 19.8175 19.8514 21.8699 21.8732 24.7375 24.7539 28.1821 28.2177 29.2202 29.2802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895 0.4692 ( 2173 PWs) bands (ev): -24.6907 -24.6901 7.4180 7.4515 12.4435 12.4673 14.5667 14.5931 16.7522 16.8002 17.9737 17.9972 18.5769 18.6160 19.6204 19.6427 21.5669 21.5905 25.2862 25.2952 29.7051 29.7151 31.1664 31.2115 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895 0.6106 ( 2176 PWs) bands (ev): -24.7289 -24.7280 6.4059 6.4399 12.7680 12.7897 14.4954 14.5248 17.1726 17.2089 18.2402 18.2567 18.5788 18.6301 19.6221 19.6491 21.6332 21.6779 25.8079 25.8104 30.3744 30.3873 33.4191 33.4360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895 0.7520 ( 2186 PWs) bands (ev): -24.7651 -24.7642 5.5627 5.5918 12.6990 12.7193 14.7864 14.8121 17.3570 17.3690 18.6071 18.6628 18.9080 18.9558 19.7155 19.7636 21.9807 22.0351 26.1046 26.1126 30.4315 30.4387 33.4748 33.4995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895 0.8934 ( 2196 PWs) bands (ev): -24.7922 -24.7914 4.9884 5.0102 12.4605 12.4761 15.2699 15.2881 17.4517 17.4553 18.8170 18.8720 19.2446 19.2935 19.9166 19.9710 22.5737 22.6200 25.6556 25.6647 30.4075 30.4149 33.2243 33.2598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895-1.0863 ( 2201 PWs) bands (ev): -24.8042 -24.8036 4.7461 4.7629 12.3345 12.3470 15.5291 15.5386 17.4946 17.5043 19.0541 19.0790 19.2091 19.2563 20.0861 20.1345 23.2700 23.2883 24.7716 24.7775 30.7846 30.7892 32.6917 32.7191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895-0.9448 ( 2200 PWs) bands (ev): -24.7985 -24.7978 4.8598 4.8792 12.3949 12.4090 15.4037 15.4184 17.4735 17.4803 18.9092 18.9582 19.2592 19.3048 20.0007 20.0515 22.8487 22.8873 25.3016 25.3109 30.5403 30.5504 33.0251 33.0612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895-0.8034 ( 2188 PWs) bands (ev): -24.7764 -24.7755 5.3186 5.3451 12.6108 12.6295 14.9672 14.9907 17.3973 17.4028 18.6744 18.7330 19.0809 19.1318 19.7728 19.8278 22.1663 22.2199 26.0535 26.0624 30.3687 30.3740 33.3828 33.4118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895-0.6620 ( 2180 PWs) bands (ev): -24.7427 -24.7418 6.0737 6.1064 12.7900 12.8116 14.5473 14.5759 17.2603 17.2871 18.4318 18.4570 18.6224 18.6782 19.6480 19.6815 21.7315 21.7814 25.9622 25.9666 30.4664 30.4776 33.6129 33.6261 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895-0.5206 ( 2173 PWs) bands (ev): -24.7043 -24.7036 7.0383 7.0727 12.5900 12.6126 14.5360 14.5646 16.9241 16.9708 18.0028 18.0239 18.5686 18.6106 19.6053 19.6266 21.5523 21.5843 25.4844 25.4903 30.0160 30.0274 32.0992 32.1329 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895-0.3792 ( 2172 PWs) bands (ev): -24.6686 -24.6681 8.0882 8.1178 12.1864 12.2121 14.4776 14.4970 16.5220 16.5700 18.0677 18.1017 18.6176 18.6517 19.7151 19.7444 21.7132 21.7229 24.9343 24.9483 28.8653 28.8968 29.7674 29.8332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7895-0.2378 ( 2182 PWs) bands (ev): -24.6411 -24.6408 9.0487 9.0669 11.9284 11.9531 13.9259 13.9382 16.3833 16.4286 18.2000 18.2548 18.9834 18.9955 20.0750 20.1143 22.2657 22.2724 24.4169 24.4369 26.9618 26.9995 28.4336 28.4728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6802 0.0000 ( 2174 PWs) bands (ev): -24.6424 -24.6423 8.7537 8.7577 12.4265 12.4299 13.4342 13.4550 16.5247 16.5732 18.4147 18.4778 19.1019 19.1227 20.6598 20.6916 23.8330 23.8714 24.6794 24.7042 25.6156 25.6575 26.6643 26.6975 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6802 0.1414 ( 2174 PWs) bands (ev): -24.6473 -24.6471 8.7092 8.7101 12.0266 12.0424 13.8388 13.8556 16.5700 16.6198 18.2911 18.3563 19.0836 19.1304 20.3583 20.3960 23.5487 23.5723 24.4784 24.4937 26.1168 26.1585 27.4156 27.4701 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6802 0.2828 ( 2175 PWs) bands (ev): -24.6617 -24.6614 8.4627 8.4780 11.5365 11.5590 14.4726 14.4929 16.7001 16.7523 17.9548 17.9910 19.0352 19.0799 19.9135 19.9496 22.4978 22.5046 25.2695 25.2821 27.2834 27.3171 28.5281 28.5982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6802 0.4242 ( 2173 PWs) bands (ev): -24.6845 -24.6839 7.8572 7.8880 11.4755 11.4984 14.8648 14.8953 16.9353 16.9871 17.6883 17.7005 18.8749 18.9140 19.7084 19.7321 21.9161 21.9321 25.9593 25.9724 28.5265 28.5320 30.3102 30.3556 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6802 0.5656 ( 2176 PWs) bands (ev): -24.7129 -24.7122 7.0101 7.0469 11.8510 11.8730 14.7527 14.7890 17.1591 17.1940 17.9874 17.9971 18.6824 18.7230 19.7146 19.7319 21.7117 21.7536 26.6537 26.6629 29.1360 29.1553 32.4492 32.4797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6802 0.7070 ( 2180 PWs) bands (ev): -24.7423 -24.7414 6.1802 6.2150 12.3639 12.3856 14.5606 14.5939 17.2864 17.3043 18.5263 18.5730 18.6368 18.6825 19.7617 19.7900 21.7318 21.7897 27.1554 27.1619 29.1945 29.2020 33.3633 33.3688 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6802 0.8484 ( 2183 PWs) bands (ev): -24.7666 -24.7657 5.5458 5.5752 12.6245 12.6452 14.7919 14.8178 17.3536 17.3630 18.6529 18.7117 18.9602 19.0066 19.7498 19.7977 21.9417 21.9988 26.2542 26.2625 30.2421 30.2465 33.5256 33.5493 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6802 0.9898 ( 2194 PWs) bands (ev): -24.7804 -24.7796 5.2064 5.2312 12.6333 12.6526 15.2381 15.2539 17.3149 17.3269 18.8257 18.8724 19.0339 19.1042 19.7019 19.7747 22.3194 22.3528 24.9992 25.0082 32.0926 32.1085 33.9278 33.9456 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709 0.0964 ( 2170 PWs) bands (ev): -24.6701 -24.6701 7.7269 7.7341 12.6941 12.7062 14.0467 14.0648 16.8154 16.8673 18.1244 18.1778 18.7907 18.8508 20.4249 20.4683 24.0295 24.0571 24.8442 24.8658 26.1743 26.1998 27.9123 27.9346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709 0.2378 ( 2180 PWs) bands (ev): -24.6761 -24.6760 7.8221 7.8233 11.8844 11.9030 14.6364 14.6587 16.8724 16.9212 17.7119 17.7418 19.1253 19.1835 19.9931 20.0310 23.1598 23.1752 25.7080 25.7287 26.6895 26.7246 28.4955 28.5285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709 0.3792 ( 2177 PWs) bands (ev): -24.6874 -24.6870 7.8285 7.8435 11.1949 11.2109 15.1374 15.1694 16.9588 16.9919 17.4887 17.5052 19.1060 19.1561 19.7225 19.7504 22.3590 22.3633 26.5472 26.5532 27.9165 27.9292 29.6571 29.6971 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709 0.5206 ( 2182 PWs) bands (ev): -24.7035 -24.7029 7.4823 7.5142 11.1013 11.1183 15.1648 15.2055 16.9851 17.0076 17.8206 17.8478 18.7822 18.8174 19.7318 19.7431 21.9871 22.0174 27.1046 27.1157 28.8676 28.8856 31.3173 31.3588 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709 0.6620 ( 2183 PWs) bands (ev): -24.7222 -24.7214 6.8378 6.8746 11.6589 11.6794 14.8044 14.8438 17.1364 17.1577 18.3187 18.3264 18.5574 18.5793 19.7790 19.7951 21.8192 21.8684 28.0034 28.0114 28.3932 28.4032 32.4726 32.5109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709 0.8034 ( 2177 PWs) bands (ev): -24.7397 -24.7388 6.2133 6.2475 12.4798 12.5009 14.5392 14.5715 17.2887 17.3110 18.4248 18.4570 18.6239 18.6742 19.7201 19.7483 21.7568 21.8115 26.7456 26.7505 29.5599 29.5715 33.2798 33.2901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709 0.9448 ( 2173 PWs) bands (ev): -24.7516 -24.7507 5.8077 5.8380 13.0011 13.0238 14.7628 14.7854 17.1659 17.1889 18.5459 18.5782 18.6729 18.7274 19.5688 19.6150 21.7853 21.8258 25.2742 25.2816 31.6898 31.7002 34.0022 34.0253 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709 1.0863 ( 2181 PWs) bands (ev): -24.7547 -24.7539 5.7050 5.7340 13.0825 13.1059 14.9925 15.0067 17.0207 17.0331 18.6114 18.6298 18.7099 18.7540 19.5014 19.5582 21.8138 21.8386 24.8421 24.8506 32.9900 33.0006 34.2071 34.2220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709-0.8934 ( 2178 PWs) bands (ev): -24.7482 -24.7473 5.9228 5.9544 12.8767 12.8986 14.6198 14.6463 17.2507 17.2756 18.4961 18.5278 18.6530 18.7093 19.6267 19.6654 21.7676 21.8159 25.7267 25.7325 30.8703 30.8808 33.7482 33.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709-0.7520 ( 2179 PWs) bands (ev): -24.7337 -24.7329 6.4223 6.4578 12.1837 12.2047 14.5960 14.6314 17.2504 17.2715 18.4030 18.4339 18.5912 18.6338 19.7564 19.7797 21.7677 21.8222 27.3800 27.3878 28.9191 28.9319 33.0064 33.0252 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709-0.6106 ( 2182 PWs) bands (ev): -24.7153 -24.7146 7.0854 7.1218 11.4008 11.4205 14.9488 14.9897 17.0692 17.0911 18.1619 18.1830 18.6044 18.6343 19.7701 19.7829 21.8667 21.9104 27.6160 27.6275 28.7569 28.7740 32.1179 32.1619 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709-0.4692 ( 2180 PWs) bands (ev): -24.6972 -24.6967 7.6573 7.6841 11.0488 11.0643 15.2222 15.2608 16.9669 16.9902 17.6427 17.6695 18.9102 18.9487 19.7102 19.7254 22.0874 22.1083 26.8835 26.8932 28.6446 28.6577 30.7225 30.7614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709-0.3278 ( 2172 PWs) bands (ev): -24.6826 -24.6824 7.8537 7.8623 11.3986 11.4163 14.9898 15.0179 16.9336 16.9751 17.5226 17.5375 19.1607 19.2160 19.7862 19.8194 22.5889 22.5953 26.3289 26.3385 27.4016 27.4243 29.1508 29.1901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709-0.1864 ( 2176 PWs) bands (ev): -24.6733 -24.6732 7.7845 7.7883 12.1918 12.2091 14.4153 14.4353 16.8449 16.8954 17.8522 17.8915 19.0373 19.0968 20.1459 20.1866 23.5622 23.5810 25.2436 25.2635 26.4652 26.4979 28.2299 28.2587 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5709-0.0450 ( 2172 PWs) bands (ev): -24.6692 -24.6692 7.7081 7.7162 12.9042 12.9121 13.8831 13.9017 16.8077 16.8599 18.2932 18.3538 18.6187 18.6760 20.5402 20.5836 23.9271 23.9506 25.1131 25.1303 26.0020 26.0203 27.8086 27.8262 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 0.1928 ( 2177 PWs) bands (ev): -24.6997 -24.6996 6.9308 6.9401 12.7255 12.7434 14.6403 14.6575 17.1196 17.1461 17.6481 17.6735 18.8528 18.9133 19.9005 19.9451 23.5621 23.5875 25.7494 25.7681 26.9802 26.9970 28.9192 28.9395 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 0.3342 ( 2177 PWs) bands (ev): -24.7001 -24.7001 7.2337 7.2364 11.7266 11.7444 15.1686 15.1912 16.9851 16.9955 17.5562 17.5938 19.0470 19.1005 19.6403 19.6721 22.7663 22.7799 26.8812 26.8959 27.7002 27.7244 29.5309 29.5579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 0.4756 ( 2175 PWs) bands (ev): -24.7029 -24.7026 7.4839 7.4969 11.0206 11.0271 15.4600 15.4937 16.8073 16.8123 17.8444 17.8780 18.7224 18.7548 19.6758 19.6838 22.3157 22.3274 27.0618 27.0640 29.4536 29.4639 30.3460 30.3885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 0.6170 ( 2184 PWs) bands (ev): -24.7085 -24.7079 7.3571 7.3867 11.0855 11.0994 15.2043 15.2446 16.9245 16.9430 18.0826 18.1006 18.5473 18.5693 19.7489 19.7562 22.0739 22.1066 27.3929 27.3966 29.3275 29.3342 31.2615 31.3068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 0.7584 ( 2175 PWs) bands (ev): -24.7156 -24.7148 6.9143 6.9481 11.9299 11.9500 14.7374 14.7724 17.1734 17.2054 17.9465 17.9645 18.6860 18.7250 19.6954 19.7130 21.8857 21.9288 26.8862 26.8985 29.0340 29.0570 32.1613 32.1877 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 0.8999 ( 2169 PWs) bands (ev): -24.7218 -24.7211 6.5098 6.5417 13.0688 13.0890 14.4332 14.4606 17.0374 17.0781 18.1084 18.1376 18.5443 18.5922 19.5414 19.5687 21.6954 21.7322 25.4543 25.4593 30.5757 30.5905 32.9718 32.9930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 1.0413 ( 2167 PWs) bands (ev): -24.7247 -24.7240 6.3317 6.3622 13.6584 13.6816 14.5769 14.5901 16.5807 16.5916 18.3291 18.3539 18.4760 18.5045 19.4328 19.4673 21.5465 21.5681 24.7999 24.8066 32.4065 32.4204 33.0260 33.0459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 1.1827 ( 2169 PWs) bands (ev): -24.7230 -24.7223 6.4347 6.4661 13.3294 13.3500 14.4269 14.4518 16.9015 16.9370 18.1868 18.2201 18.5076 18.5555 19.4994 19.5292 21.6414 21.6738 25.1771 25.1824 31.0995 31.1136 33.1182 33.1436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616-0.7970 ( 2171 PWs) bands (ev): -24.7175 -24.7167 6.7888 6.8224 12.2366 12.2570 14.6254 14.6584 17.1978 17.2356 17.9563 17.9724 18.6643 18.7064 19.6591 19.6794 21.8363 21.8795 26.4679 26.4767 29.3609 29.3810 32.4002 32.4216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616-0.6556 ( 2184 PWs) bands (ev): -24.7103 -24.7097 7.2515 7.2834 11.2551 11.2716 15.0786 15.1181 16.9967 17.0179 18.0343 18.0592 18.6058 18.6356 19.7482 19.7582 22.0199 22.0568 27.4581 27.4674 29.0238 29.0393 31.5110 31.5522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616-0.5142 ( 2179 PWs) bands (ev): -24.7042 -24.7038 7.4964 7.5147 10.9482 10.9530 15.4401 15.4772 16.8051 16.8143 17.9614 17.9885 18.6124 18.6394 19.7045 19.7089 22.2384 22.2567 27.1347 27.1369 29.6756 29.6822 30.5898 30.6356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616-0.3728 ( 2174 PWs) bands (ev): -24.7006 -24.7005 7.3213 7.3230 11.4830 11.4987 15.2919 15.3167 16.9252 16.9340 17.5975 17.6367 19.0008 19.0482 19.6240 19.6491 22.6084 22.6162 26.9266 26.9338 28.2394 28.2574 29.7363 29.7677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616-0.2314 ( 2172 PWs) bands (ev): -24.6997 -24.6996 7.0036 7.0116 12.4521 12.4710 14.7849 14.8034 17.0957 17.1152 17.5970 17.6228 18.9519 19.0114 19.8086 19.8502 23.3316 23.3552 26.1812 26.2035 26.9671 26.9902 29.0648 29.0849 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616-0.0900 ( 2180 PWs) bands (ev): -24.7000 -24.6999 6.7948 6.8061 13.3678 13.3804 14.2847 14.2996 17.1706 17.2138 17.8315 17.8664 18.4978 18.5600 20.1638 20.2137 23.8883 23.9121 25.0900 25.1033 27.1629 27.1763 28.5814 28.6058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4616 0.0514 ( 2180 PWs) bands (ev): -24.7001 -24.6999 6.7684 6.7801 13.5475 13.5575 14.1694 14.1846 17.1833 17.2303 17.9177 17.9517 18.3636 18.4257 20.2375 20.2882 23.8541 23.8743 25.0677 25.0769 27.2635 27.2739 28.4761 28.4993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 0.2892 ( 2172 PWs) bands (ev): -24.7217 -24.7215 6.4602 6.4718 12.6559 12.6754 14.8001 14.8088 17.1910 17.2198 17.8645 17.9043 18.7840 18.8291 19.5044 19.5379 23.0593 23.0895 27.1353 27.1498 27.7387 27.7595 29.6708 29.6969 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 0.4306 ( 2166 PWs) bands (ev): -24.7118 -24.7118 6.9925 6.9975 11.6303 11.6457 15.2878 15.2990 16.9025 16.9232 18.0525 18.0805 18.5420 18.5678 19.5817 19.5934 22.5983 22.6110 27.2691 27.2782 29.3159 29.3407 29.9148 29.9250 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 0.5720 ( 2172 PWs) bands (ev): -24.7034 -24.7031 7.4590 7.4689 11.0734 11.0794 15.4143 15.4409 16.8159 16.8196 17.8402 17.8724 18.6552 18.6848 19.6816 19.6874 22.3545 22.3635 27.2689 27.2742 29.4352 29.4484 30.3120 30.3491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 0.7135 ( 2176 PWs) bands (ev): -24.6978 -24.6974 7.5089 7.5339 11.4066 11.4247 15.0344 15.0649 17.0314 17.0671 17.4885 17.5129 18.9817 19.0199 19.6606 19.6769 22.1396 22.1653 26.8353 26.8511 28.5252 28.5435 30.8840 30.9180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 0.8549 ( 2181 PWs) bands (ev): -24.6951 -24.6946 7.2605 7.2893 12.5106 12.5330 14.5772 14.6013 16.8282 16.8741 17.7677 17.7942 18.7954 18.8433 19.5456 19.5729 21.8852 21.9133 25.4997 25.5125 29.2812 29.2947 31.2759 31.3223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 0.9963 ( 2168 PWs) bands (ev): -24.6943 -24.6937 7.0667 7.0950 13.7593 13.7778 14.2731 14.2934 16.2497 16.2758 18.1150 18.1457 18.5073 18.5491 19.4274 19.4614 21.5813 21.5999 24.7658 24.7707 30.7337 30.7612 31.3880 31.4452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 1.1377 ( 2170 PWs) bands (ev): -24.6943 -24.6937 7.0768 7.1052 13.6647 13.6839 14.2954 14.3160 16.3018 16.3308 18.0966 18.1284 18.5198 18.5638 19.4337 19.4673 21.6023 21.6216 24.7985 24.8043 30.6002 30.6239 31.3851 31.4411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 1.2791 ( 2179 PWs) bands (ev): -24.6953 -24.6947 7.2847 7.3135 12.3930 12.4153 14.6137 14.6384 16.8670 16.9139 17.7276 17.7534 18.8280 18.8753 19.5589 19.5853 21.9125 21.9412 25.6074 25.6206 29.1697 29.1835 31.2534 31.2985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522-0.7006 ( 2180 PWs) bands (ev): -24.6982 -24.6978 7.5228 7.5470 11.3371 11.3542 15.0781 15.1090 17.0172 17.0488 17.4994 17.5252 18.9718 19.0089 19.6668 19.6819 22.1596 22.1842 26.9360 26.9512 28.5354 28.5534 30.8357 30.8697 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522-0.5592 ( 2172 PWs) bands (ev): -24.7040 -24.7038 7.4301 7.4383 11.0918 11.0979 15.4285 15.4536 16.8066 16.8090 17.8858 17.9169 18.6136 18.6422 19.6774 19.6828 22.3742 22.3814 27.2688 27.2742 29.5329 29.5470 30.2560 30.2919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522-0.4178 ( 2166 PWs) bands (ev): -24.7127 -24.7127 6.9414 6.9473 11.7113 11.7274 15.2506 15.2611 16.9272 16.9492 18.0279 18.0585 18.5780 18.6062 19.5691 19.5823 22.6278 22.6424 27.2714 27.2810 29.1803 29.2017 29.8977 29.9100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522-0.2764 ( 2169 PWs) bands (ev): -24.7226 -24.7224 6.4183 6.4302 12.7568 12.7762 14.7546 14.7633 17.2140 17.2429 17.8603 17.9006 18.7757 18.8224 19.5107 19.5461 23.1153 23.1464 27.0377 27.0517 27.6836 27.7048 29.6466 29.6736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522-0.1350 ( 2180 PWs) bands (ev): -24.7303 -24.7300 6.0700 6.0839 13.7551 13.7667 14.3785 14.3869 17.4290 17.4519 17.8692 17.9128 18.4186 18.4743 19.7214 19.7672 23.6823 23.7139 25.6083 25.6260 27.9783 28.0095 29.3232 29.3616 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 0.0064 ( 2189 PWs) bands (ev): -24.7331 -24.7327 5.9573 5.9716 14.0220 14.0330 14.4125 14.4256 17.6705 17.6900 17.7313 17.7639 18.1540 18.1953 19.8919 19.9395 23.7815 23.7985 25.1626 25.1639 28.6611 28.6905 28.8100 28.8314 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3522 0.1478 ( 2182 PWs) bands (ev): -24.7298 -24.7295 6.0923 6.1061 13.6836 13.6966 14.3976 14.4059 17.4091 17.4329 17.8702 17.9137 18.4617 18.5169 19.6961 19.7415 23.6469 23.6793 25.7097 25.7276 27.9219 27.9519 29.3608 29.3980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 0.4821 ( 2168 PWs) bands (ev): -24.7078 -24.7077 7.2440 7.2524 11.3416 11.3515 15.2710 15.2757 16.8600 16.8752 18.0958 18.0984 18.3509 18.3515 19.6825 19.6887 22.4467 22.4609 27.6699 27.6739 29.7527 29.7584 29.8512 29.8633 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 0.6235 ( 2172 PWs) bands (ev): -24.7012 -24.7011 7.4731 7.4811 11.2214 11.2317 15.2631 15.2759 16.8949 16.9061 17.5807 17.6144 18.8197 18.8490 19.6685 19.6768 22.3859 22.3964 27.5555 27.5616 28.7269 28.7444 30.4024 30.4369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 0.7649 ( 2169 PWs) bands (ev): -24.6977 -24.6973 7.3066 7.3255 11.9494 11.9698 14.8593 14.8758 17.0188 17.0631 17.3945 17.4266 19.0858 19.1330 19.5694 19.5965 22.3871 22.4166 26.4968 26.5139 28.2245 28.2453 30.6710 30.7118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 0.9063 ( 2172 PWs) bands (ev): -24.6964 -24.6960 7.0514 7.0732 13.0930 13.1135 14.4492 14.4635 16.7650 16.8031 17.7859 17.8204 18.7821 18.8403 19.4509 19.4966 22.3399 22.3665 25.2726 25.2879 28.9191 28.9369 30.7657 30.8101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 1.0477 ( 2171 PWs) bands (ev): -24.6962 -24.6958 6.9331 6.9552 13.9073 13.9172 14.2099 14.2143 16.5205 16.5482 18.0788 18.1024 18.4327 18.4864 19.3949 19.4474 22.1770 22.1924 24.9109 24.9176 29.8850 29.8907 30.6028 30.6335 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 1.1891 ( 2171 PWs) bands (ev): -24.6963 -24.6959 7.0162 7.0381 13.2951 13.3146 14.3915 14.4055 16.7089 16.7454 17.8558 17.8915 18.7004 18.7593 19.4323 19.4802 22.3061 22.3301 25.1488 25.1628 29.1072 29.1242 30.7567 30.8011 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 1.3305 ( 2164 PWs) bands (ev): -24.6973 -24.6969 7.2574 7.2772 12.1438 12.1649 14.7764 14.7926 16.9848 17.0284 17.4534 17.4839 19.0636 19.1139 19.5506 19.5817 22.3921 22.4231 26.2197 26.2371 28.2981 28.3185 30.7051 30.7472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 1.4719 ( 2171 PWs) bands (ev): -24.7003 -24.7002 7.4657 7.4764 11.2976 11.3103 15.2068 15.2214 16.9351 16.9517 17.4970 17.5310 18.9102 18.9412 19.6524 19.6630 22.3796 22.3942 27.4876 27.4967 28.4929 28.5113 30.4589 30.4943 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036-0.5078 ( 2170 PWs) bands (ev): -24.7064 -24.7063 7.3167 7.3226 11.2550 11.2629 15.3124 15.3151 16.8378 16.8493 18.0323 18.0523 18.3820 18.4007 19.6912 19.6960 22.4326 22.4425 27.6558 27.6595 29.6687 29.6877 29.9782 30.0025 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036-0.3664 ( 2170 PWs) bands (ev): -24.7149 -24.7146 6.8447 6.8606 11.9947 12.0113 14.9389 14.9499 17.0725 17.0991 17.8449 17.8747 18.6503 18.6807 19.5940 19.6104 22.5621 22.5934 27.6144 27.6243 28.7088 28.7297 30.1354 30.1590 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036-0.2250 ( 2168 PWs) bands (ev): -24.7236 -24.7231 6.3861 6.4050 13.1060 13.1237 14.4703 14.4848 17.3532 17.3943 17.6957 17.7355 18.6779 18.7245 19.4734 19.5081 22.8313 22.8700 26.3514 26.3656 28.6758 28.7127 30.3356 30.3706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036-0.0836 ( 2175 PWs) bands (ev): -24.7292 -24.7288 6.1160 6.1353 13.9494 13.9640 14.3299 14.3558 17.3539 17.3893 17.8174 17.8572 18.3292 18.3829 19.4570 19.5016 22.9595 22.9839 25.3274 25.3365 29.5226 29.5726 30.3000 30.3531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 0.0578 ( 2180 PWs) bands (ev): -24.7297 -24.7293 6.0927 6.1120 13.9780 13.9880 14.3925 14.4135 17.3389 17.3717 17.8354 17.8701 18.2855 18.3368 19.4613 19.5064 22.9563 22.9770 25.2487 25.2553 29.6927 29.7458 30.2443 30.3004 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 0.1993 ( 2173 PWs) bands (ev): -24.7249 -24.7245 6.3202 6.3393 13.3105 13.3275 14.4024 14.4184 17.3747 17.4174 17.7065 17.7497 18.6230 18.6724 19.4621 19.4996 22.8763 22.9139 26.0976 26.1118 28.7988 28.8374 30.3526 30.3903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3036 0.3407 ( 2167 PWs) bands (ev): -24.7166 -24.7162 6.7528 6.7697 12.1821 12.1995 14.8495 14.8611 17.1320 17.1607 17.7950 17.8251 18.7019 18.7345 19.5682 19.5877 22.6034 22.6375 27.4900 27.5034 28.5493 28.5770 30.1832 30.2086 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 0.5785 ( 2170 PWs) bands (ev): -24.6996 -24.6994 7.4455 7.4586 11.4021 11.4172 15.1395 15.1553 16.9782 17.0012 17.4269 17.4611 18.9861 19.0198 19.6342 19.6478 22.3761 22.3949 27.3635 27.3762 28.3104 28.3306 30.5118 30.5481 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 0.7199 ( 2175 PWs) bands (ev): -24.6832 -24.6832 7.8483 7.8540 11.4917 11.5121 14.9674 14.9801 16.7831 16.8217 17.3372 17.3637 19.2910 19.3376 19.7815 19.8062 22.3871 22.3976 26.5523 26.5573 27.2384 27.2693 30.1620 30.2223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 0.8613 ( 2174 PWs) bands (ev): -24.6724 -24.6722 7.8632 7.8770 12.2734 12.2959 14.5167 14.5265 16.5337 16.5711 17.7758 17.8051 19.0871 19.1305 19.8826 19.9187 22.4765 22.4996 25.1830 25.2020 27.3387 27.3586 29.6548 29.7221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 1.0027 ( 2172 PWs) bands (ev): -24.6673 -24.6671 7.7876 7.8042 13.1275 13.1395 14.1083 14.1174 16.4066 16.4421 18.2222 18.2548 18.7347 18.8004 19.6771 19.7430 22.3157 22.3308 24.8188 24.8391 28.0521 28.0737 28.9988 29.0557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 1.1441 ( 2169 PWs) bands (ev): -24.6678 -24.6676 7.7973 7.8137 13.0069 13.0219 14.1695 14.1783 16.4214 16.4573 18.1479 18.1829 18.8052 18.8668 19.7038 19.7658 22.3513 22.3680 24.8328 24.8534 27.8841 27.9039 29.1448 29.2070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 1.2855 ( 2173 PWs) bands (ev): -24.6739 -24.6738 7.8760 7.8888 12.1028 12.1258 14.6016 14.6120 16.5681 16.6057 17.6901 17.7177 19.1356 19.1773 19.9062 19.9377 22.4709 22.4937 25.3621 25.3795 27.2768 27.2982 29.7494 29.8160 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 1.4269 ( 2177 PWs) bands (ev): -24.6858 -24.6858 7.8096 7.8144 11.4137 11.4328 15.0319 15.0449 16.8437 16.8825 17.2804 17.3100 19.2966 19.3462 19.7172 19.7440 22.3771 22.3843 26.8328 26.8394 27.2964 27.3317 30.2483 30.3059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 1.5683 ( 2169 PWs) bands (ev): -24.7030 -24.7028 7.3303 7.3455 11.4712 11.4860 15.1147 15.1317 16.9832 17.0055 17.5416 17.5736 18.8756 18.9070 19.6423 19.6548 22.3826 22.4053 27.4333 27.4463 28.5357 28.5553 30.5202 30.5504 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943-0.4114 ( 2172 PWs) bands (ev): -24.7233 -24.7228 6.6215 6.6433 12.1801 12.1954 14.7500 14.7714 17.1490 17.1756 18.2077 18.2351 18.3645 18.3929 19.6358 19.6531 22.4535 22.4937 27.9032 27.9089 28.9126 28.9249 30.3556 30.3566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943-0.2700 ( 2177 PWs) bands (ev): -24.7427 -24.7420 5.9898 6.0123 13.1365 13.1477 14.3518 14.3776 17.4649 17.4936 18.0761 18.1002 18.5675 18.6040 19.5390 19.5701 22.6395 22.6864 27.2840 27.2959 28.9210 28.9513 30.6627 30.6821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943-0.1286 ( 2180 PWs) bands (ev): -24.7564 -24.7557 5.5840 5.6051 13.5282 13.5345 14.6629 14.6898 17.6759 17.7140 17.9403 17.9726 18.5093 18.5584 19.4595 19.5036 22.9008 22.9372 25.8106 25.8212 29.9538 29.9960 31.0953 31.1434 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 0.0129 ( 2177 PWs) bands (ev): -24.7607 -24.7601 5.4620 5.4824 13.4917 13.4967 15.0519 15.0680 17.6036 17.6290 17.9663 17.9929 18.4578 18.5086 19.4448 19.4934 23.0190 23.0365 25.2721 25.2775 30.4470 30.4549 31.4233 31.4339 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 0.1543 ( 2181 PWs) bands (ev): -24.7545 -24.7539 5.6376 5.6590 13.5249 13.5317 14.5415 14.5704 17.6667 17.7026 17.9526 17.9826 18.5302 18.5779 19.4685 19.5107 22.8569 22.8967 26.0327 26.0432 29.7701 29.8109 31.0142 31.0589 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 0.2957 ( 2176 PWs) bands (ev): -24.7394 -24.7388 6.0905 6.1131 12.9705 12.9830 14.3998 14.4242 17.4051 17.4334 18.1123 18.1364 18.5428 18.5763 19.5589 19.5872 22.5954 22.6422 27.5678 27.5823 28.7685 28.7979 30.5867 30.6008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1943 0.4371 ( 2175 PWs) bands (ev): -24.7196 -24.7191 6.7513 6.7725 12.0194 12.0348 14.8339 14.8547 17.1024 17.1284 18.1011 18.1279 18.4362 18.4646 19.6455 19.6610 22.4344 22.4721 27.8101 27.8188 28.9854 29.0018 30.3647 30.3682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 0.6749 ( 2176 PWs) bands (ev): -24.6781 -24.6778 7.9478 7.9650 11.6539 11.6770 14.8004 14.8179 16.6840 16.7257 17.5235 17.5460 19.2058 19.2538 19.8066 19.8347 22.2079 22.2223 25.8224 25.8377 27.6556 27.6768 30.1179 30.1829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 0.8163 ( 2180 PWs) bands (ev): -24.6565 -24.6564 8.5346 8.5405 11.7800 11.8043 14.3624 14.3741 16.4280 16.4658 17.9229 17.9506 19.0838 19.1129 20.3294 20.3595 22.3887 22.4023 24.9299 24.9461 26.6025 26.6372 29.0175 29.0945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 0.9577 ( 2174 PWs) bands (ev): -24.6441 -24.6441 8.7197 8.7283 12.3719 12.3877 13.7971 13.8084 16.3629 16.3978 18.3973 18.4442 18.9167 18.9430 20.2943 20.3365 22.4719 22.4899 24.6633 24.6921 26.4470 26.4781 27.9636 28.0322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 1.0991 ( 2175 PWs) bands (ev): -24.6418 -24.6418 8.7372 8.7468 12.6047 12.6124 13.6048 13.6183 16.3555 16.3898 18.5777 18.6344 18.8229 18.8528 20.2110 20.2592 22.4076 22.4213 24.7645 24.7980 26.7097 26.7390 27.4449 27.4984 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 1.2405 ( 2172 PWs) bands (ev): -24.6496 -24.6496 8.6559 8.6621 12.0230 12.0450 14.1006 14.1113 16.3859 16.4223 18.1420 18.1774 19.0103 19.0340 20.3767 20.4120 22.4904 22.5096 24.6607 24.6824 26.4118 26.4456 28.5591 28.6360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 1.3819 ( 2173 PWs) bands (ev): -24.6672 -24.6671 8.2690 8.2804 11.6318 11.6561 14.6428 14.6572 16.5308 16.5706 17.6800 17.7028 19.1687 19.2070 20.0878 20.1132 22.2594 22.2650 25.4277 25.4415 27.0848 27.1144 29.5869 29.6597 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 1.5233 ( 2174 PWs) bands (ev): -24.6930 -24.6926 7.4813 7.5038 11.8377 11.8589 14.8440 14.8659 16.9439 16.9902 17.4467 17.4730 19.0944 19.1430 19.6003 19.6273 22.2039 22.2309 26.2390 26.2558 28.3499 28.3669 30.7918 30.8386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 1.6647 ( 2177 PWs) bands (ev): -24.7235 -24.7228 6.5694 6.5959 12.4595 12.4765 14.5824 14.6098 17.2643 17.2964 17.8985 17.9212 18.6366 18.6741 19.6086 19.6308 22.2797 22.3238 27.0001 27.0144 29.0146 29.0422 31.3233 31.3311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850-0.3149 ( 2173 PWs) bands (ev): -24.7533 -24.7525 5.7793 5.8045 13.0444 13.0548 14.4144 14.4449 17.5058 17.5223 18.1909 18.2262 18.6899 18.7207 19.6180 19.6532 22.4575 22.5089 27.5799 27.5892 28.7703 28.7773 31.4182 31.4263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850-0.1735 ( 2185 PWs) bands (ev): -24.7762 -24.7755 5.2351 5.2568 13.0528 13.0619 14.9224 14.9482 17.6952 17.7069 18.1904 18.2423 18.8652 18.9106 19.6420 19.6909 22.8127 22.8581 26.4033 26.4126 29.7086 29.7268 31.7348 31.7665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850-0.0321 ( 2191 PWs) bands (ev): -24.7870 -24.7863 4.9969 5.0160 12.9373 12.9461 15.3984 15.4138 17.7029 17.7242 18.3342 18.3646 18.7866 18.8471 19.6821 19.7364 23.2366 23.2572 25.3032 25.3115 30.6948 30.7117 31.8899 31.9089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 0.1093 ( 2192 PWs) bands (ev): -24.7829 -24.7822 5.0868 5.1070 12.9863 12.9952 15.1979 15.2191 17.7109 17.7292 18.2546 18.3030 18.8373 18.8899 19.6645 19.7165 23.0262 23.0631 25.7807 25.7915 30.2549 30.2792 31.8462 31.8844 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 0.2507 ( 2179 PWs) bands (ev): -24.7649 -24.7642 5.4968 5.5205 13.1077 13.1168 14.5817 14.6112 17.6149 17.6227 18.1696 18.2135 18.8162 18.8537 19.6218 19.6647 22.5940 22.6445 27.1906 27.1996 29.0586 29.0665 31.5520 31.5693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 0.3921 ( 2176 PWs) bands (ev): -24.7375 -24.7368 6.1857 6.2121 12.7728 12.7870 14.4426 14.4716 17.3680 17.3932 18.1394 18.1680 18.5536 18.5896 19.6174 19.6441 22.3436 22.3925 27.3636 27.3759 28.9381 28.9620 31.3360 31.3399 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0850 0.5335 ( 2176 PWs) bands (ev): -24.7065 -24.7060 7.0638 7.0890 12.0892 12.1086 14.7614 14.7864 17.1331 17.1772 17.5631 17.5881 18.8743 18.9138 19.5888 19.6096 22.2282 22.2640 26.5751 26.5914 28.7804 28.8034 31.1904 31.2159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 0.7713 ( 2179 PWs) bands (ev): -24.6501 -24.6498 8.6885 8.7070 12.0316 12.0574 14.1862 14.1967 16.3246 16.3627 18.1060 18.1380 18.9428 18.9769 20.0741 20.1112 22.0180 22.0222 24.5889 24.6090 27.2571 27.2869 29.0265 29.0959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 0.9127 ( 2173 PWs) bands (ev): -24.6294 -24.6293 9.4758 9.4826 11.9797 11.9996 13.5302 13.5407 16.2823 16.3152 18.3137 18.3564 19.1352 19.1417 20.5032 20.5401 22.4061 22.4237 24.3125 24.3398 26.0279 26.0602 27.7439 27.7988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 1.0541 ( 2174 PWs) bands (ev): -24.6219 -24.6218 9.7564 9.7582 12.1747 12.1770 13.0980 13.1161 16.2688 16.2991 18.3234 18.3603 19.4281 19.4441 20.5033 20.5310 22.4418 22.4549 24.9326 24.9684 25.5289 25.5324 26.7542 26.7782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 1.1955 ( 2176 PWs) bands (ev): -24.6282 -24.6281 9.5236 9.5295 11.9953 12.0139 13.4726 13.4837 16.2804 16.3129 18.3186 18.3610 19.1683 19.1759 20.5164 20.5527 22.4250 22.4432 24.3431 24.3709 25.9569 25.9888 27.6240 27.6764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 1.3369 ( 2176 PWs) bands (ev): -24.6477 -24.6475 8.7760 8.7935 12.0098 12.0355 14.1307 14.1407 16.3169 16.3544 18.1348 18.1680 18.9473 18.9780 20.1287 20.1659 22.0511 22.0556 24.5380 24.5588 27.1126 27.1431 28.9099 28.9788 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 1.4783 ( 2175 PWs) bands (ev): -24.6784 -24.6779 7.7317 7.7583 12.3907 12.4150 14.5443 14.5631 16.5471 16.5896 17.8506 17.8773 18.8729 18.9256 19.6103 19.6449 21.8446 21.8634 25.1299 25.1450 28.7915 28.8086 30.3919 30.4541 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 1.6197 ( 2178 PWs) bands (ev): -24.7161 -24.7155 6.6634 6.6931 12.9049 12.9243 14.4529 14.4804 17.1023 17.1484 17.8905 17.9202 18.6187 18.6643 19.5298 19.5560 21.9390 21.9759 25.7159 25.7246 29.8809 29.8998 32.2242 32.2472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 1.7611 ( 2184 PWs) bands (ev): -24.7547 -24.7539 5.7398 5.7670 13.0387 13.0536 14.5739 14.6024 17.4428 17.4641 18.2724 18.3143 18.6847 18.7296 19.6019 19.6419 22.2394 22.2877 26.2460 26.2531 30.0906 30.1083 32.4209 32.4372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243-0.2185 ( 2188 PWs) bands (ev): -24.7865 -24.7857 5.0648 5.0863 12.7438 12.7560 15.1263 15.1488 17.6037 17.6104 18.4524 18.5086 19.0681 19.1112 19.8019 19.8510 22.7356 22.7826 26.2903 26.2994 29.7910 29.7975 32.2796 32.3137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243-0.0771 ( 2202 PWs) bands (ev): -24.8049 -24.8043 4.7036 4.7195 12.5151 12.5244 15.5332 15.5462 17.6946 17.7077 18.7168 18.7577 19.0745 19.1123 20.0581 20.0970 23.4683 23.4979 25.3988 25.4085 30.2485 30.2647 31.4440 31.4733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 0.0643 ( 2200 PWs) bands (ev): -24.8057 -24.8051 4.6876 4.7033 12.5044 12.5135 15.5524 15.5646 17.6991 17.7125 18.7399 18.7773 19.0638 19.1025 20.0713 20.1100 23.5346 23.5615 25.3136 25.3230 30.3210 30.3378 31.3583 31.3866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 0.2057 ( 2186 PWs) bands (ev): -24.7888 -24.7881 5.0183 5.0392 12.7162 12.7280 15.1753 15.1971 17.6145 17.6219 18.4734 18.5295 19.0835 19.1254 19.8288 19.8769 22.7932 22.8393 26.2407 26.2497 29.7932 29.7998 32.2276 32.2620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 0.3471 ( 2185 PWs) bands (ev): -24.7579 -24.7571 5.6669 5.6938 13.0200 13.0347 14.6160 14.6442 17.4614 17.4801 18.2904 18.3345 18.7255 18.7699 19.6124 19.6543 22.2756 22.3243 26.2826 26.2900 30.0657 30.0825 32.4216 32.4395 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 0.4885 ( 2179 PWs) bands (ev): -24.7197 -24.7190 6.5716 6.6012 12.9429 12.9617 14.4399 14.4679 17.1481 17.1934 17.9213 17.9512 18.6005 18.6465 19.5336 19.5603 21.9588 21.9971 25.7682 25.7764 29.9372 29.9568 32.3003 32.3192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0243 0.6299 ( 2178 PWs) bands (ev): -24.6816 -24.6811 7.6323 7.6595 12.4369 12.4609 14.5532 14.5730 16.5889 16.6318 17.8356 17.8623 18.8547 18.9070 19.5859 19.6192 21.8424 21.8630 25.1839 25.1984 28.9279 28.9434 30.5621 30.6218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 0.8677 ( 2176 PWs) bands (ev): -24.6244 -24.6242 9.5754 9.5908 12.4081 12.4252 13.3828 13.3891 16.1025 16.1304 17.8844 17.9085 19.4257 19.4483 20.3078 20.3519 21.9505 21.9579 24.0283 24.0572 26.4214 26.4803 28.5205 28.5455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 1.0091 ( 2175 PWs) bands (ev): -24.6106 -24.6106 10.5241 10.5304 11.9331 11.9384 12.8599 12.8771 16.1193 16.1426 17.7626 17.7831 20.0960 20.1141 20.5884 20.6130 22.2817 22.2956 24.3140 24.3446 25.1871 25.2344 27.2870 27.3045 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 1.1505 ( 2177 PWs) bands (ev): -24.6128 -24.6127 10.3228 10.3311 12.0516 12.0604 12.9492 12.9636 16.1205 16.1446 17.7841 17.8054 19.9327 19.9513 20.5812 20.6138 22.2324 22.2466 24.1478 24.1807 25.4569 25.5132 27.5351 27.5584 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 1.2919 ( 2179 PWs) bands (ev): -24.6308 -24.6305 9.2592 9.2776 12.5426 12.5616 13.5883 13.5932 16.0804 16.1101 17.9309 17.9558 19.2410 19.2670 20.1441 20.1897 21.8194 21.8242 24.0867 24.1117 26.8919 26.9481 28.9134 28.9382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 1.4333 ( 2178 PWs) bands (ev): -24.6624 -24.6620 8.0541 8.0816 13.0783 13.1001 14.2505 14.2621 16.0113 16.0458 18.0805 18.1078 18.6869 18.7236 19.6491 19.6851 21.4576 21.4683 24.4655 24.4766 29.0892 29.1321 30.2281 30.2632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 1.5747 ( 2168 PWs) bands (ev): -24.7035 -24.7029 6.8849 6.9163 13.5265 13.5472 14.3370 14.3598 16.4730 16.5051 18.1573 18.1903 18.4758 18.5181 19.4825 19.5093 21.4631 21.4868 24.8754 24.8810 31.0583 31.0736 32.0555 32.0987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 1.7161 ( 2178 PWs) bands (ev): -24.7476 -24.7468 5.8599 5.8891 13.1934 13.2141 14.7399 14.7618 17.1281 17.1531 18.4032 18.4390 18.6021 18.6537 19.5082 19.5525 21.8896 21.9238 25.1819 25.1892 31.7097 31.7260 33.4739 33.4945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 1.8576 ( 2192 PWs) bands (ev): -24.7865 -24.7858 5.0704 5.0927 12.6489 12.6643 15.2748 15.2922 17.4600 17.4719 18.6854 18.7340 19.0496 19.1093 19.7734 19.8348 22.6476 22.6847 25.3271 25.3369 31.1554 31.1738 32.8037 32.8384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337-0.1221 ( 2201 PWs) bands (ev): -24.8123 -24.8119 4.5888 4.6019 12.2918 12.3006 15.5896 15.5993 17.6241 17.6318 18.9852 19.0217 19.2439 19.2678 20.2730 20.3019 23.6264 23.6542 25.1879 25.1957 29.7508 29.7579 31.8282 31.8533 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 0.0193 ( 2202 PWs) bands (ev): -24.8197 -24.8193 4.4578 4.4663 12.1938 12.1994 15.6683 15.6735 17.6711 17.6769 19.1454 19.1571 19.2326 19.2464 20.4554 20.4741 24.2835 24.2943 24.8334 24.8376 29.2257 29.2275 31.5399 31.5530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 0.1607 ( 2203 PWs) bands (ev): -24.8070 -24.8064 4.6865 4.7022 12.3648 12.3753 15.5288 15.5407 17.5902 17.5988 18.9057 18.9474 19.2214 19.2538 20.1484 20.1854 23.3460 23.3777 25.2690 25.2779 30.1058 30.1155 32.0355 32.0646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 0.3021 ( 2191 PWs) bands (ev): -24.7769 -24.7761 5.2578 5.2823 12.7850 12.8021 15.1457 15.1647 17.3934 17.4078 18.6081 18.6557 18.9349 18.9978 19.6625 19.7257 22.4143 22.4517 25.3070 25.3165 31.4582 31.4779 33.1159 33.1494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 0.4435 ( 2175 PWs) bands (ev): -24.7358 -24.7350 6.1197 6.1500 13.3427 13.3640 14.5849 14.6074 16.9792 17.0078 18.3132 18.3486 18.5296 18.5789 19.4856 19.5225 21.7354 21.7674 25.1125 25.1189 31.6161 31.6312 33.4415 33.4600 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 0.5849 ( 2169 PWs) bands (ev): -24.6917 -24.6911 7.1937 7.2246 13.4530 13.4740 14.3411 14.3625 16.2865 16.3192 18.1344 18.1665 18.4955 18.5365 19.5035 19.5304 21.4186 21.4387 24.7701 24.7762 30.7108 30.7356 31.3666 31.4180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1337 0.7263 ( 2178 PWs) bands (ev): -24.6526 -24.6522 8.3844 8.4098 12.9255 12.9470 14.1123 14.1203 16.0062 16.0402 18.0477 18.0737 18.8116 18.8462 19.7499 19.7903 21.5268 21.5345 24.3506 24.3648 28.4298 28.4765 29.8859 29.9163 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 0.9641 ( 2165 PWs) bands (ev): -24.6092 -24.6092 10.4597 10.4678 12.2507 12.2536 12.8651 12.8667 15.9829 15.9886 17.4266 17.4305 20.3254 20.3593 20.7087 20.7525 21.9482 21.9487 23.8555 23.8886 25.3639 25.4267 27.8553 27.8902 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 1.1055 ( 2170 PWs) bands (ev): -24.6062 -24.6061 10.8450 10.8490 11.8918 11.8932 12.8179 12.8186 15.9902 15.9928 17.3914 17.3932 20.5393 20.5578 20.8401 20.8632 22.0242 22.0246 23.9073 23.9298 25.0461 25.0847 27.5255 27.5441 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 1.2469 ( 2167 PWs) bands (ev): -24.6198 -24.6196 9.6900 9.7057 12.9398 12.9430 13.0288 13.0324 15.9274 15.9396 17.5466 17.5546 19.8036 19.8535 20.3051 20.3690 21.7206 21.7218 23.8819 23.9114 26.2978 26.3693 28.8191 28.8657 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 1.3883 ( 2168 PWs) bands (ev): -24.6486 -24.6483 8.4365 8.4628 13.4736 13.4796 13.9524 13.9552 15.6513 15.6709 17.8478 17.8641 18.9741 19.0083 19.7714 19.8123 21.3119 21.3199 24.1563 24.1658 28.4541 28.5148 30.6083 30.6439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 1.5298 ( 2178 PWs) bands (ev): -24.6890 -24.6883 7.2226 7.2546 14.0845 14.0938 14.1420 14.1664 15.8295 15.8353 18.1886 18.2134 18.5225 18.5423 19.5250 19.5489 21.1528 21.1705 24.5139 24.5178 31.1971 31.2448 32.0238 32.0329 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 1.6712 ( 2172 PWs) bands (ev): -24.7345 -24.7337 6.1315 6.1628 13.4235 13.4495 14.7428 14.7554 16.6922 16.6995 18.4835 18.4913 18.5634 18.5774 19.4630 19.5026 21.4886 21.5121 24.7687 24.7773 32.8749 32.8802 33.9045 33.9183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 1.8126 ( 2195 PWs) bands (ev): -24.7774 -24.7766 5.2496 5.2745 12.7302 12.7495 15.2720 15.2847 17.2741 17.2871 18.7924 18.8162 18.9438 19.0182 19.6348 19.7103 22.3329 22.3539 24.8201 24.8275 33.0499 33.0504 33.1667 33.1836 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 1.9540 ( 2200 PWs) bands (ev): -24.8091 -24.8086 4.6569 4.6715 12.2670 12.2777 15.5741 15.5822 17.5269 17.5355 19.1255 19.1378 19.2377 19.2751 20.2021 20.2419 23.5378 23.5506 24.7061 24.7091 30.3543 30.3547 32.5414 32.5659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430-0.0257 ( 2214 PWs) bands (ev): -24.8230 -24.8229 4.4108 4.4131 12.0782 12.0798 15.6804 15.6816 17.6163 17.6176 19.2939 19.2961 19.3537 19.3542 20.5961 20.6012 24.5265 24.5277 24.6227 24.6261 28.6893 28.6898 32.1167 32.1213 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 0.1157 ( 2208 PWs) bands (ev): -24.8164 -24.8161 4.5252 4.5355 12.1657 12.1732 15.6318 15.6375 17.5746 17.5805 19.2182 19.2221 19.2952 19.3137 20.3988 20.4238 23.9935 24.0023 24.6553 24.6563 29.5528 29.5538 32.3225 32.3414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 0.2571 ( 2199 PWs) bands (ev): -24.7906 -24.7899 4.9970 5.0185 12.5315 12.5478 15.4087 15.4201 17.3921 17.4043 18.9177 18.9399 19.0801 19.1504 19.8115 19.8811 22.7413 22.7598 24.7912 24.7972 32.0258 32.0266 32.9892 33.0145 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 0.3985 ( 2180 PWs) bands (ev): -24.7509 -24.7501 5.7821 5.8117 13.1510 13.1750 14.9582 14.9714 16.9543 16.9645 18.5888 18.6017 18.6784 18.7140 19.4861 19.5397 21.7425 21.7659 24.8122 24.8209 33.0829 33.0912 34.1944 34.2044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 0.5399 ( 2174 PWs) bands (ev): -24.7053 -24.7046 6.8071 6.8396 13.9098 13.9368 14.3295 14.3401 16.1363 16.1407 18.3010 18.3251 18.4777 18.4955 19.4839 19.5094 21.2116 21.2323 24.6261 24.6325 32.2309 32.2595 32.4554 32.4675 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 0.6813 ( 2174 PWs) bands (ev): -24.6623 -24.6618 7.9861 8.0152 13.6822 13.6894 14.1899 14.2001 15.5797 15.5961 17.9739 17.9936 18.7553 18.7825 19.6547 19.6861 21.2084 21.2198 24.2880 24.2915 29.3974 29.4535 31.1889 31.2151 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2430 0.8227 ( 2172 PWs) bands (ev): -24.6287 -24.6285 9.2351 9.2549 13.1656 13.1695 13.3313 13.3341 15.8514 15.8675 17.6437 17.6544 19.4801 19.5276 20.0745 20.1344 21.5646 21.5678 23.9589 23.9813 26.9976 27.0663 29.4730 29.5189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8503-0.0000 ( 2166 PWs) bands (ev): -24.6096 -24.6095 10.6661 10.6726 11.7919 11.7928 12.8783 12.8995 16.0885 16.1174 17.5375 17.5619 20.5085 20.5347 20.6615 20.6624 22.5778 22.6000 23.8133 23.8222 25.0486 25.0609 27.2045 27.2240 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8503 0.1414 ( 2168 PWs) bands (ev): -24.6176 -24.6174 9.9753 9.9883 12.2353 12.2468 13.1621 13.1750 16.0960 16.1273 17.6349 17.6617 19.9696 20.0130 20.3789 20.4395 22.2008 22.2090 23.8894 23.9186 25.7993 25.8629 28.0387 28.0722 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8503 0.2828 ( 2172 PWs) bands (ev): -24.6406 -24.6403 8.8374 8.8615 12.7635 12.7847 13.8645 13.8713 16.0253 16.0615 17.8775 17.9076 19.0486 19.0750 19.9099 19.9528 21.6232 21.6260 24.1628 24.1797 27.6949 27.7535 29.5345 29.5460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8503 0.4242 ( 2177 PWs) bands (ev): -24.6761 -24.6755 7.6529 7.6848 13.2716 13.2942 14.3413 14.3602 16.0587 16.0935 18.1665 18.1991 18.4635 18.4819 19.6190 19.6432 21.2710 21.2856 24.5600 24.5669 30.2265 30.2711 30.7950 30.8171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8503 0.5656 ( 2174 PWs) bands (ev): -24.7188 -24.7181 6.5389 6.5724 13.3847 13.4091 14.4466 14.4681 16.6726 16.7020 18.3395 18.3705 18.4715 18.5230 19.5216 19.5491 21.3449 21.3748 24.9307 24.9369 31.6723 31.6794 33.1854 33.2187 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8503 0.7070 ( 2182 PWs) bands (ev): -24.7616 -24.7608 5.5929 5.6219 12.8738 12.8964 14.9467 14.9667 17.1949 17.2124 18.6752 18.7155 18.8002 18.8565 19.5919 19.6493 21.8857 21.9246 25.1452 25.1537 32.0973 32.1066 34.1600 34.1874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8503 0.8484 ( 2205 PWs) bands (ev): -24.7963 -24.7956 4.9054 4.9257 12.4017 12.4169 15.3921 15.4064 17.4340 17.4417 18.9440 18.9924 19.2443 19.2971 19.9540 20.0115 22.7608 22.7976 25.1378 25.1474 30.8854 30.8963 33.5317 33.5770 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8503 0.9898 ( 2206 PWs) bands (ev): -24.8156 -24.8152 4.5453 4.5561 12.1499 12.1579 15.6130 15.6196 17.5457 17.5506 19.2033 19.2309 19.3538 19.3738 20.3920 20.4168 23.7739 23.7953 24.7883 24.7953 29.5267 29.5304 32.7256 32.7523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409 0.0964 ( 2169 PWs) bands (ev): -24.6253 -24.6252 9.6724 9.6777 11.9690 11.9814 13.2870 13.3042 16.3126 16.3540 18.1135 18.1599 19.5793 19.5962 20.5126 20.5460 22.9958 23.0207 24.1592 24.1810 25.6292 25.6672 27.1896 27.2005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409 0.2378 ( 2182 PWs) bands (ev): -24.6411 -24.6408 9.0487 9.0669 11.9284 11.9531 13.9259 13.9382 16.3833 16.4286 18.2000 18.2548 18.9834 18.9955 20.0750 20.1143 22.2657 22.2724 24.4169 24.4369 26.9618 26.9995 28.4336 28.4728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409 0.3792 ( 2172 PWs) bands (ev): -24.6686 -24.6681 8.0882 8.1178 12.1864 12.2121 14.4776 14.4970 16.5220 16.5700 18.0677 18.1017 18.6176 18.6517 19.7151 19.7444 21.7132 21.7229 24.9343 24.9483 28.8653 28.8968 29.7674 29.8332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409 0.5206 ( 2173 PWs) bands (ev): -24.7043 -24.7036 7.0383 7.0727 12.5900 12.6126 14.5360 14.5646 16.9241 16.9708 18.0028 18.0239 18.5686 18.6106 19.6053 19.6266 21.5523 21.5843 25.4844 25.4903 30.0160 30.0274 32.0992 32.1329 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409 0.6620 ( 2180 PWs) bands (ev): -24.7427 -24.7418 6.0737 6.1064 12.7900 12.8116 14.5473 14.5759 17.2603 17.2871 18.4318 18.4570 18.6224 18.6782 19.6480 19.6815 21.7315 21.7814 25.9622 25.9666 30.4664 30.4776 33.6129 33.6261 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409 0.8034 ( 2188 PWs) bands (ev): -24.7764 -24.7755 5.3186 5.3451 12.6108 12.6295 14.9672 14.9907 17.3973 17.4028 18.6744 18.7330 19.0809 19.1318 19.7728 19.8278 22.1663 22.2199 26.0535 26.0624 30.3687 30.3740 33.3828 33.4118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409 0.9448 ( 2200 PWs) bands (ev): -24.7985 -24.7978 4.8598 4.8792 12.3949 12.4090 15.4037 15.4184 17.4735 17.4803 18.9092 18.9582 19.2592 19.3048 20.0007 20.0515 22.8487 22.8873 25.3016 25.3109 30.5403 30.5504 33.0251 33.0612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409 1.0863 ( 2201 PWs) bands (ev): -24.8042 -24.8036 4.7461 4.7629 12.3345 12.3470 15.5291 15.5386 17.4946 17.5043 19.0541 19.0790 19.2091 19.2563 20.0861 20.1345 23.2700 23.2883 24.7716 24.7775 30.7846 30.7892 32.6916 32.7191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409-0.8934 ( 2196 PWs) bands (ev): -24.7922 -24.7914 4.9884 5.0102 12.4605 12.4761 15.2699 15.2881 17.4517 17.4553 18.8170 18.8720 19.2446 19.2935 19.9166 19.9710 22.5737 22.6200 25.6556 25.6647 30.4075 30.4149 33.2243 33.2598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409-0.7520 ( 2186 PWs) bands (ev): -24.7651 -24.7642 5.5627 5.5918 12.6990 12.7193 14.7864 14.8121 17.3570 17.3690 18.6071 18.6628 18.9080 18.9558 19.7155 19.7636 21.9807 22.0351 26.1046 26.1126 30.4315 30.4387 33.4748 33.4995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409-0.6106 ( 2176 PWs) bands (ev): -24.7289 -24.7280 6.4059 6.4399 12.7680 12.7897 14.4954 14.5248 17.1726 17.2089 18.2402 18.2567 18.5788 18.6301 19.6221 19.6491 21.6332 21.6779 25.8079 25.8104 30.3744 30.3873 33.4191 33.4360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409-0.4692 ( 2173 PWs) bands (ev): -24.6907 -24.6901 7.4180 7.4515 12.4435 12.4673 14.5667 14.5931 16.7522 16.8002 17.9737 17.9972 18.5769 18.6160 19.6204 19.6427 21.5669 21.5905 25.2862 25.2952 29.7051 29.7151 31.1664 31.2115 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409-0.3278 ( 2184 PWs) bands (ev): -24.6574 -24.6570 8.4593 8.4854 12.0640 12.0902 14.3201 14.3356 16.4513 16.4988 18.1504 18.1955 18.6874 18.7137 19.8175 19.8514 21.8699 21.8732 24.7375 24.7539 28.1821 28.2177 29.2202 29.2802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409-0.1864 ( 2176 PWs) bands (ev): -24.6339 -24.6337 9.3286 9.3417 11.9078 11.9296 13.6783 13.6910 16.3543 16.3981 18.1759 18.2285 19.2136 19.2253 20.2460 20.2859 22.5483 22.5604 24.2628 24.2842 26.3722 26.4117 27.9822 28.0096 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7409-0.0450 ( 2178 PWs) bands (ev): -24.6228 -24.6227 9.7723 9.7746 12.0258 12.0316 13.1361 13.1571 16.2983 16.3389 18.0890 18.1331 19.7094 19.7276 20.6073 20.6326 23.1076 23.1347 24.2581 24.2759 25.3810 25.4138 26.8501 26.8558 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 0.1928 ( 2175 PWs) bands (ev): -24.6513 -24.6511 8.6464 8.6505 11.8672 11.8875 14.0959 14.1113 16.5423 16.5883 18.1525 18.2014 19.0592 19.0932 20.2592 20.2961 22.9211 22.9391 24.7606 24.7756 26.3693 26.4074 28.1075 28.1749 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 0.3342 ( 2173 PWs) bands (ev): -24.6691 -24.6688 8.2606 8.2795 11.5139 11.5373 14.6710 14.6925 16.6989 16.7477 17.7358 17.7627 19.0877 19.1321 19.8675 19.8990 22.2281 22.2316 25.5126 25.5266 27.5793 27.6045 29.2937 29.3598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 0.4756 ( 2175 PWs) bands (ev): -24.6947 -24.6942 7.5130 7.5439 11.6730 11.6947 14.8562 14.8875 17.0181 17.0667 17.6108 17.6294 18.8988 18.9403 19.6599 19.6802 21.9200 21.9470 26.2213 26.2351 28.7567 28.7716 31.0691 31.1057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 0.6170 ( 2181 PWs) bands (ev): -24.7245 -24.7237 6.6348 6.6685 12.1865 12.2062 14.6225 14.6568 17.2295 17.2583 18.1170 18.1387 18.6221 18.6637 19.6992 19.7198 21.8742 21.9222 26.9499 26.9596 29.1497 29.1703 32.4712 32.4927 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 0.7584 ( 2178 PWs) bands (ev): -24.7530 -24.7522 5.8622 5.8928 12.6622 12.6805 14.5449 14.5757 17.3744 17.3872 18.4485 18.4980 18.7530 18.7856 19.7258 19.7607 21.9922 22.0489 27.1440 27.1522 29.2323 29.2355 32.8525 32.8598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 0.8999 ( 2190 PWs) bands (ev): -24.7744 -24.7735 5.3323 5.3579 12.7586 12.7757 14.9674 14.9908 17.4324 17.4429 18.5520 18.6062 18.9751 19.0273 19.7053 19.7603 22.3007 22.3492 25.8886 25.8976 30.5873 30.5991 33.0752 33.1064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 1.0413 ( 2199 PWs) bands (ev): -24.7835 -24.7827 5.1167 5.1393 12.7202 12.7364 15.3396 15.3526 17.3964 17.4112 18.7140 18.7418 18.9458 19.0176 19.6914 19.7603 22.6527 22.6731 24.9310 24.9382 32.2207 32.2497 32.5992 32.6282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 1.1827 ( 2190 PWs) bands (ev): -24.7782 -24.7774 5.2405 5.2650 12.7470 12.7637 15.1078 15.1284 17.4250 17.4374 18.5998 18.6515 18.9813 19.0398 19.6991 19.7594 22.4143 22.4567 25.5270 25.5366 31.0562 31.0724 33.0691 33.1028 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316-0.7970 ( 2178 PWs) bands (ev): -24.7598 -24.7589 5.6896 5.7189 12.7246 12.7426 14.6196 14.6487 17.4037 17.4134 18.4646 18.5168 18.8452 18.8820 19.7229 19.7631 22.0557 22.1121 26.8821 26.8906 29.4970 29.5002 32.9187 32.9339 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316-0.6556 ( 2179 PWs) bands (ev): -24.7326 -24.7318 6.4063 6.4396 12.3411 12.3604 14.5587 14.5926 17.2715 17.2956 18.2764 18.3059 18.5868 18.6299 19.7120 19.7357 21.8905 21.9422 27.1302 27.1385 29.1180 29.1351 32.6205 32.6361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316-0.5142 ( 2173 PWs) bands (ev): -24.7026 -24.7020 7.2745 7.3070 11.7910 11.8121 14.8148 14.8478 17.0952 17.1392 17.6994 17.7151 18.8127 18.8522 19.6624 19.6803 21.8886 21.9223 26.4154 26.4283 28.9515 28.9706 31.5871 31.6165 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316-0.3728 ( 2174 PWs) bands (ev): -24.6755 -24.6751 8.0864 8.1094 11.5067 11.5299 14.7764 14.8006 16.7724 16.8220 17.6504 17.6744 19.0667 19.1140 19.7704 19.8011 22.1068 22.1150 25.7113 25.7257 27.9545 27.9729 29.7112 29.7715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316-0.2314 ( 2180 PWs) bands (ev): -24.6553 -24.6551 8.5788 8.5863 11.7283 11.7503 14.2670 14.2833 16.5718 16.6186 18.0369 18.0782 19.0745 19.1083 20.1632 20.1979 22.7065 22.7206 24.9489 24.9621 26.6394 26.6755 28.4016 28.4709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316-0.0900 ( 2175 PWs) bands (ev): -24.6441 -24.6440 8.7323 8.7364 12.2846 12.2967 13.6653 13.6816 16.4932 16.5378 18.3980 18.4620 19.0251 19.0613 20.4472 20.4870 23.2111 23.2339 24.7773 24.8032 25.8691 25.9085 27.3299 27.3825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6316 0.0514 ( 2172 PWs) bands (ev): -24.6428 -24.6427 8.7432 8.7483 12.4113 12.4191 13.5443 13.5620 16.4842 16.5285 18.4517 18.5156 19.0217 19.0514 20.4887 20.5275 23.1848 23.2050 25.0120 25.0423 25.7148 25.7506 27.0846 27.1276 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 0.2892 ( 2169 PWs) bands (ev): -24.6792 -24.6791 7.8553 7.8588 11.6677 11.6881 14.8337 14.8532 16.8014 16.8453 17.5023 17.5318 19.2128 19.2580 19.8893 19.9176 22.6536 22.6697 26.1208 26.1324 26.9621 26.9970 29.3696 29.4190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 0.4306 ( 2174 PWs) bands (ev): -24.6929 -24.6925 7.7004 7.7169 11.2080 11.2235 15.1672 15.1954 16.9666 16.9972 17.3794 17.4103 19.1081 19.1509 19.6636 19.6837 22.2686 22.2811 26.9122 26.9237 28.1775 28.1950 30.3445 30.3857 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 0.5720 ( 2178 PWs) bands (ev): -24.7109 -24.7103 7.1590 7.1874 11.4648 11.4809 15.0019 15.0363 17.0298 17.0530 17.9332 17.9595 18.6291 18.6602 19.7184 19.7301 22.1259 22.1622 27.4787 27.4924 28.9436 28.9644 31.2579 31.2871 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 0.7135 ( 2177 PWs) bands (ev): -24.7303 -24.7295 6.4798 6.5104 12.2326 12.2496 14.6043 14.6375 17.2387 17.2613 18.3027 18.3367 18.4660 18.4994 19.7104 19.7312 22.0921 22.1418 27.9444 27.9617 28.4925 28.5137 31.8226 31.8386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 0.8549 ( 2179 PWs) bands (ev): -24.7467 -24.7459 5.9300 5.9583 13.0172 13.0327 14.4804 14.5100 17.4021 17.4282 18.2228 18.2594 18.6155 18.6613 19.5967 19.6316 22.1615 22.2096 26.3033 26.3099 29.9633 29.9821 32.3763 32.3879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 0.9963 ( 2182 PWs) bands (ev): -24.7560 -24.7553 5.6380 5.6639 13.2545 13.2706 14.9230 14.9420 17.2507 17.2729 18.3109 18.3444 18.6056 18.6597 19.4721 19.5233 22.2696 22.2968 25.1498 25.1575 31.6437 31.6700 32.7532 32.7835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 1.1377 ( 2182 PWs) bands (ev): -24.7556 -24.7548 5.6522 5.6783 13.2499 13.2659 14.8825 14.9029 17.2699 17.2936 18.3015 18.3367 18.6065 18.6601 19.4797 19.5297 22.2620 22.2917 25.2110 25.2188 31.5172 31.5434 32.7328 32.7633 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 1.2791 ( 2178 PWs) bands (ev): -24.7455 -24.7447 5.9706 5.9991 12.9647 12.9803 14.4649 14.4949 17.3989 17.4243 18.2219 18.2577 18.6135 18.6583 19.6097 19.6431 22.1517 22.2008 26.4480 26.4545 29.8080 29.8264 32.3299 32.3393 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223-0.7006 ( 2176 PWs) bands (ev): -24.7285 -24.7278 6.5391 6.5698 12.1526 12.1697 14.6373 14.6708 17.2169 17.2396 18.3179 18.3511 18.4371 18.4684 19.7160 19.7358 22.0909 22.1400 28.0525 28.0710 28.4150 28.4364 31.7708 31.7889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223-0.5592 ( 2180 PWs) bands (ev): -24.7091 -24.7086 7.2191 7.2469 11.4145 11.4304 15.0338 15.0680 17.0174 17.0406 17.8747 17.9014 18.6693 18.7007 19.7137 19.7250 22.1337 22.1682 27.4161 27.4299 28.9403 28.9611 31.1988 31.2283 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223-0.4178 ( 2175 PWs) bands (ev): -24.6914 -24.6911 7.7314 7.7463 11.2211 11.2370 15.1564 15.1837 16.9607 16.9939 17.3556 17.3868 19.1433 19.1886 19.6664 19.6889 22.2907 22.3008 26.8669 26.8778 28.0501 28.0691 30.2447 30.2875 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223-0.2764 ( 2172 PWs) bands (ev): -24.6782 -24.6781 7.8530 7.8567 11.7368 11.7574 14.7872 14.8061 16.7862 16.8302 17.5381 17.5680 19.1996 19.2441 19.9143 19.9434 22.7059 22.7237 26.0009 26.0119 26.9130 26.9468 29.2980 29.3474 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223-0.1350 ( 2180 PWs) bands (ev): -24.6705 -24.6705 7.7723 7.7819 12.5807 12.5972 14.2467 14.2616 16.6914 16.7367 17.9868 18.0288 18.9288 18.9816 20.0658 20.1140 23.1732 23.1958 25.0235 25.0406 26.7730 26.7924 28.6601 28.7101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 0.0064 ( 2167 PWs) bands (ev): -24.6682 -24.6681 7.7277 7.7391 13.0757 13.0812 13.9118 13.9277 16.6745 16.7204 18.4213 18.4386 18.5388 18.5928 20.1224 20.1779 23.0728 23.0883 25.0689 25.0912 26.9890 26.9907 28.2683 28.3044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5223 0.1478 ( 2176 PWs) bands (ev): -24.6710 -24.6710 7.7803 7.7895 12.5058 12.5231 14.2945 14.3095 16.6956 16.7408 17.9437 17.9845 18.9632 19.0147 20.0575 20.1040 23.1613 23.1845 25.0555 25.0717 26.7629 26.7835 28.7104 28.7605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 0.3857 ( 2170 PWs) bands (ev): -24.7002 -24.7002 7.3786 7.3834 11.4586 11.4739 15.2115 15.2238 16.9513 16.9670 17.4660 17.5041 19.0003 19.0381 19.6108 19.6279 22.5059 22.5190 27.4051 27.4113 28.1028 28.1259 30.1488 30.1855 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 0.5271 ( 2175 PWs) bands (ev): -24.7048 -24.7045 7.4268 7.4390 11.1051 11.1101 15.3351 15.3573 16.8305 16.8397 17.9493 17.9757 18.4859 18.5107 19.7113 19.7148 22.3422 22.3561 27.5155 27.5212 29.5995 29.6106 30.3205 30.3494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 0.6685 ( 2172 PWs) bands (ev): -24.7120 -24.7115 7.0766 7.1005 11.5975 11.6125 14.9864 15.0145 17.0246 17.0481 17.9306 17.9575 18.5770 18.6064 19.6939 19.7059 22.2685 22.3030 27.6006 27.6131 29.0015 29.0202 30.8336 30.8510 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 0.8099 ( 2180 PWs) bands (ev): -24.7199 -24.7192 6.6114 6.6378 12.6460 12.6640 14.5325 14.5587 17.2620 17.3044 17.7731 17.7985 18.6826 18.7239 19.5587 19.5834 22.2601 22.3017 26.4423 26.4553 29.2102 29.2361 31.4686 31.4840 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 0.9513 ( 2176 PWs) bands (ev): -24.7256 -24.7250 6.2907 6.3163 13.6716 13.6871 14.3509 14.3783 17.0574 17.0954 17.9785 18.0169 18.4544 18.5030 19.4124 19.4488 22.2045 22.2329 25.2726 25.2800 30.4933 30.5220 31.8214 31.8532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 1.0927 ( 2166 PWs) bands (ev): -24.7270 -24.7264 6.2174 6.2426 13.8434 13.8550 14.5103 14.5262 16.8815 16.9030 18.0768 18.1058 18.3822 18.4233 19.3748 19.4149 22.1590 22.1780 25.0175 25.0209 31.2311 31.2652 31.6682 31.7051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 1.2341 ( 2175 PWs) bands (ev): -24.7234 -24.7228 6.4094 6.4355 13.2699 13.2867 14.3663 14.3928 17.2070 17.2533 17.8622 17.8987 18.5632 18.6109 19.4712 19.5027 22.2435 22.2801 25.7042 25.7142 29.8574 29.8834 31.7274 31.7518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 1.3755 ( 2179 PWs) bands (ev): -24.7164 -24.7158 6.8160 6.8420 12.1300 12.1475 14.7284 14.7556 17.1827 17.2141 17.8015 17.8239 18.6996 18.7348 19.6295 19.6482 22.2594 22.3002 27.1178 27.1346 28.8719 28.8996 31.1940 31.2054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130-0.6042 ( 2177 PWs) bands (ev): -24.7085 -24.7081 7.2723 7.2923 11.2779 11.2887 15.1829 15.2100 16.9057 16.9238 18.0718 18.0899 18.4095 18.4285 19.7200 19.7269 22.2933 22.3194 27.6077 27.6123 29.4857 29.4904 30.5269 30.5513 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130-0.4628 ( 2172 PWs) bands (ev): -24.7023 -24.7022 7.4570 7.4616 11.1625 11.1707 15.3456 15.3620 16.8499 16.8545 17.7027 17.7365 18.7304 18.7599 19.6724 19.6795 22.4016 22.4056 27.4572 27.4640 29.0485 29.0658 30.2859 30.3211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130-0.3214 ( 2172 PWs) bands (ev): -24.6991 -24.6990 7.2572 7.2666 11.8465 11.8656 15.0203 15.0317 17.0340 17.0609 17.3843 17.4242 19.1050 19.1546 19.5844 19.6143 22.6470 22.6703 27.0711 27.0744 27.5856 27.6127 30.0073 30.0417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130-0.1800 ( 2170 PWs) bands (ev): -24.6984 -24.6981 6.9806 6.9951 12.8857 12.9049 14.5555 14.5661 16.9916 17.0280 17.6416 17.6793 18.8706 18.9305 19.6251 19.6746 23.0201 23.0497 25.5680 25.5848 27.8169 27.8388 29.7406 29.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130-0.0386 ( 2178 PWs) bands (ev): -24.6984 -24.6981 6.8341 6.8501 13.7037 13.7140 14.1965 14.2070 16.9462 16.9869 17.9822 18.0140 18.3925 18.4563 19.6897 19.7463 22.9991 23.0157 25.0887 25.1000 28.4342 28.4459 29.5880 29.6010 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 0.1028 ( 2172 PWs) bands (ev): -24.6984 -24.6981 6.8785 6.8942 13.4016 13.4167 14.3411 14.3514 16.9598 16.9988 17.8330 17.8726 18.6013 18.6642 19.6610 19.7163 23.0516 23.0742 25.1848 25.1995 28.1498 28.1701 29.6417 29.6625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4130 0.2442 ( 2176 PWs) bands (ev): -24.6985 -24.6983 7.0979 7.1108 12.4044 12.4249 14.7611 14.7720 17.0280 17.0618 17.4867 17.5234 19.0379 19.0943 19.6028 19.6441 22.8686 22.8987 26.1656 26.1796 27.6402 27.6619 29.8496 29.8791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 21.0045 ev ! total energy = -89.76941964 Ry Harris-Foulkes estimate = -89.76941964 Ry estimated scf accuracy < 1.8E-09 Ry The total energy is the sum of the following terms: one-electron contribution = 16.31570920 Ry hartree contribution = 10.98170291 Ry xc contribution = -40.30643579 Ry ewald contribution = -76.76039595 Ry smearing contrib. (-TS) = -0.00000000 Ry convergence has been achieved in 10 iterations Writing output data file LiFeP.save init_run : 33.30s CPU 49.70s WALL ( 1 calls) electrons : 716.61s CPU 724.81s WALL ( 1 calls) Called by init_run: wfcinit : 29.95s CPU 30.42s WALL ( 1 calls) potinit : 0.28s CPU 2.11s WALL ( 1 calls) Called by electrons: c_bands : 612.26s CPU 616.73s WALL ( 11 calls) sum_band : 102.58s CPU 104.46s WALL ( 11 calls) v_of_rho : 0.23s CPU 1.50s WALL ( 11 calls) v_h : 0.00s CPU 0.01s WALL ( 11 calls) v_xc : 0.22s CPU 0.94s WALL ( 11 calls) newd : 1.12s CPU 1.70s WALL ( 11 calls) mix_rho : 0.35s CPU 1.37s WALL ( 11 calls) Called by c_bands: init_us_2 : 1.33s CPU 2.50s WALL ( 20079 calls) cegterg : 584.18s CPU 584.86s WALL ( 9603 calls) Called by sum_band: sum_band:bec : 6.35s CPU 9.70s WALL ( 9603 calls) addusdens : 0.22s CPU 0.21s WALL ( 11 calls) Called by *egterg: h_psi : 444.27s CPU 454.62s WALL ( 31125 calls) s_psi : 27.36s CPU 28.84s WALL ( 31125 calls) g_psi : 0.26s CPU 0.47s WALL ( 20649 calls) cdiaghg : 67.17s CPU 65.37s WALL ( 29379 calls) cegterg:over : 28.19s CPU 22.24s WALL ( 20649 calls) cegterg:upda : 1.05s CPU 3.19s WALL ( 20649 calls) cegterg:last : 0.22s CPU 1.64s WALL ( 9603 calls) Called by h_psi: h_psi:vloc : 392.19s CPU 402.96s WALL ( 31125 calls) h_psi:vnl : 51.91s CPU 51.21s WALL ( 31125 calls) add_vuspsi : 11.36s CPU 20.11s WALL ( 31125 calls) General routines calbec : 55.15s CPU 42.39s WALL ( 40728 calls) fft : 0.55s CPU 1.58s WALL ( 211 calls) fftw : 458.26s CPU 465.81s WALL ( 2774192 calls) Parallel routines fft_scatter : 302.14s CPU 301.02s WALL ( 2774403 calls) PWSCF : 13m 9.89s CPU 14m39.72s WALL This run was terminated on: 13:38:44 18Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=