Program PWSCF v.5.1.1 starts on 12Jun2016 at 13: 3:47 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 33 33 11 535 535 102 Max 34 34 12 539 539 104 Sum 1617 1617 537 25775 25775 4921 bravais-lattice index = 14 lattice parameter (alat) = 7.6638 a.u. unit-cell volume = 182.8179 (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)= 7.663779 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.768320 celldm(5)= -0.768320 celldm(6)= 0.536640 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.536640 0.843811 0.000000 ) a(3) = ( -0.768320 -0.421906 0.481332 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.635971 1.038785 ) b(2) = ( 0.000000 1.185099 1.038785 ) b(3) = ( 0.000000 0.000000 2.077570 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 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. # 2 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. # 3 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Fe 8.00 55.84500 Fe( 1.00) Li 3.00 6.94100 Li( 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= 628 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0007692 k( 2) = ( 0.0000000 0.0000000 0.1598131), wk = 0.0015385 k( 3) = ( 0.0000000 0.0000000 0.3196261), wk = 0.0015385 k( 4) = ( 0.0000000 0.0000000 0.4794392), wk = 0.0015385 k( 5) = ( 0.0000000 0.0000000 0.6392523), wk = 0.0015385 k( 6) = ( 0.0000000 0.0000000 0.7990653), wk = 0.0015385 k( 7) = ( 0.0000000 0.0000000 0.9588784), wk = 0.0015385 k( 8) = ( 0.0000000 0.1185099 0.1038785), wk = 0.0015385 k( 9) = ( 0.0000000 0.1185099 0.2636916), wk = 0.0015385 k( 10) = ( 0.0000000 0.1185099 0.4235046), wk = 0.0015385 k( 11) = ( 0.0000000 0.1185099 0.5833177), wk = 0.0015385 k( 12) = ( 0.0000000 0.1185099 0.7431308), wk = 0.0015385 k( 13) = ( 0.0000000 0.1185099 0.9029438), wk = 0.0015385 k( 14) = ( 0.0000000 0.1185099 1.0627569), wk = 0.0015385 k( 15) = ( 0.0000000 0.1185099 -0.8549999), wk = 0.0015385 k( 16) = ( 0.0000000 0.1185099 -0.6951868), wk = 0.0015385 k( 17) = ( 0.0000000 0.1185099 -0.5353738), wk = 0.0015385 k( 18) = ( 0.0000000 0.1185099 -0.3755607), wk = 0.0015385 k( 19) = ( 0.0000000 0.1185099 -0.2157476), wk = 0.0015385 k( 20) = ( 0.0000000 0.1185099 -0.0559346), wk = 0.0015385 k( 21) = ( 0.0000000 0.2370198 0.2077570), wk = 0.0015385 k( 22) = ( 0.0000000 0.2370198 0.3675701), wk = 0.0015385 k( 23) = ( 0.0000000 0.2370198 0.5273831), wk = 0.0015385 k( 24) = ( 0.0000000 0.2370198 0.6871962), wk = 0.0015385 k( 25) = ( 0.0000000 0.2370198 0.8470093), wk = 0.0015385 k( 26) = ( 0.0000000 0.2370198 1.0068223), wk = 0.0015385 k( 27) = ( 0.0000000 0.2370198 1.1666354), wk = 0.0015385 k( 28) = ( 0.0000000 0.2370198 -0.7511214), wk = 0.0015385 k( 29) = ( 0.0000000 0.2370198 -0.5913084), wk = 0.0015385 k( 30) = ( 0.0000000 0.2370198 -0.4314953), wk = 0.0015385 k( 31) = ( 0.0000000 0.2370198 -0.2716822), wk = 0.0015385 k( 32) = ( 0.0000000 0.2370198 -0.1118691), wk = 0.0015385 k( 33) = ( 0.0000000 0.2370198 0.0479439), wk = 0.0015385 k( 34) = ( 0.0000000 0.3555297 0.3116355), wk = 0.0015385 k( 35) = ( 0.0000000 0.3555297 0.4714486), wk = 0.0015385 k( 36) = ( 0.0000000 0.3555297 0.6312616), wk = 0.0015385 k( 37) = ( 0.0000000 0.3555297 0.7910747), wk = 0.0015385 k( 38) = ( 0.0000000 0.3555297 0.9508878), wk = 0.0015385 k( 39) = ( 0.0000000 0.3555297 1.1107008), wk = 0.0015385 k( 40) = ( 0.0000000 0.3555297 1.2705139), wk = 0.0015385 k( 41) = ( 0.0000000 0.3555297 -0.6472429), wk = 0.0015385 k( 42) = ( 0.0000000 0.3555297 -0.4874299), wk = 0.0015385 k( 43) = ( 0.0000000 0.3555297 -0.3276168), wk = 0.0015385 k( 44) = ( 0.0000000 0.3555297 -0.1678037), wk = 0.0015385 k( 45) = ( 0.0000000 0.3555297 -0.0079907), wk = 0.0015385 k( 46) = ( 0.0000000 0.3555297 0.1518224), wk = 0.0015385 k( 47) = ( 0.0000000 0.4740396 0.4155140), wk = 0.0015385 k( 48) = ( 0.0000000 0.4740396 0.5753270), wk = 0.0015385 k( 49) = ( 0.0000000 0.4740396 0.7351401), wk = 0.0015385 k( 50) = ( 0.0000000 0.4740396 0.8949532), wk = 0.0015385 k( 51) = ( 0.0000000 0.4740396 1.0547663), wk = 0.0015385 k( 52) = ( 0.0000000 0.4740396 1.2145793), wk = 0.0015385 k( 53) = ( 0.0000000 0.4740396 1.3743924), wk = 0.0015385 k( 54) = ( 0.0000000 0.4740396 -0.5433644), wk = 0.0015385 k( 55) = ( 0.0000000 0.4740396 -0.3835514), wk = 0.0015385 k( 56) = ( 0.0000000 0.4740396 -0.2237383), wk = 0.0015385 k( 57) = ( 0.0000000 0.4740396 -0.0639252), wk = 0.0015385 k( 58) = ( 0.0000000 0.4740396 0.0958878), wk = 0.0015385 k( 59) = ( 0.0000000 0.4740396 0.2557009), wk = 0.0015385 k( 60) = ( 0.0000000 -0.5925495 -0.5193925), wk = 0.0007692 k( 61) = ( 0.0000000 -0.5925495 -0.3595794), wk = 0.0015385 k( 62) = ( 0.0000000 -0.5925495 -0.1997663), wk = 0.0015385 k( 63) = ( 0.0000000 -0.5925495 -0.0399533), wk = 0.0015385 k( 64) = ( 0.0000000 -0.5925495 0.1198598), wk = 0.0015385 k( 65) = ( 0.0000000 -0.5925495 0.2796729), wk = 0.0015385 k( 66) = ( 0.0000000 -0.5925495 0.4394859), wk = 0.0015385 k( 67) = ( 0.1000000 -0.0635971 0.1038785), wk = 0.0015385 k( 68) = ( 0.1000000 -0.0635971 0.2636916), wk = 0.0015385 k( 69) = ( 0.1000000 -0.0635971 0.4235046), wk = 0.0015385 k( 70) = ( 0.1000000 -0.0635971 0.5833177), wk = 0.0015385 k( 71) = ( 0.1000000 -0.0635971 0.7431308), wk = 0.0015385 k( 72) = ( 0.1000000 -0.0635971 0.9029438), wk = 0.0015385 k( 73) = ( 0.1000000 -0.0635971 1.0627569), wk = 0.0015385 k( 74) = ( 0.1000000 -0.0635971 -0.8549999), wk = 0.0015385 k( 75) = ( 0.1000000 -0.0635971 -0.6951868), wk = 0.0015385 k( 76) = ( 0.1000000 -0.0635971 -0.5353738), wk = 0.0015385 k( 77) = ( 0.1000000 -0.0635971 -0.3755607), wk = 0.0015385 k( 78) = ( 0.1000000 -0.0635971 -0.2157476), wk = 0.0015385 k( 79) = ( 0.1000000 -0.0635971 -0.0559346), wk = 0.0015385 k( 80) = ( 0.1000000 0.0549128 0.2077570), wk = 0.0015385 k( 81) = ( 0.1000000 0.0549128 0.3675701), wk = 0.0015385 k( 82) = ( 0.1000000 0.0549128 0.5273831), wk = 0.0015385 k( 83) = ( 0.1000000 0.0549128 0.6871962), wk = 0.0015385 k( 84) = ( 0.1000000 0.0549128 0.8470093), wk = 0.0015385 k( 85) = ( 0.1000000 0.0549128 1.0068223), wk = 0.0015385 k( 86) = ( 0.1000000 0.0549128 1.1666354), wk = 0.0015385 k( 87) = ( 0.1000000 0.0549128 -0.7511214), wk = 0.0015385 k( 88) = ( 0.1000000 0.0549128 -0.5913084), wk = 0.0015385 k( 89) = ( 0.1000000 0.0549128 -0.4314953), wk = 0.0015385 k( 90) = ( 0.1000000 0.0549128 -0.2716822), wk = 0.0015385 k( 91) = ( 0.1000000 0.0549128 -0.1118691), wk = 0.0015385 k( 92) = ( 0.1000000 0.0549128 0.0479439), wk = 0.0015385 k( 93) = ( 0.1000000 0.1734227 0.3116355), wk = 0.0015385 k( 94) = ( 0.1000000 0.1734227 0.4714486), wk = 0.0015385 k( 95) = ( 0.1000000 0.1734227 0.6312616), wk = 0.0015385 k( 96) = ( 0.1000000 0.1734227 0.7910747), wk = 0.0015385 k( 97) = ( 0.1000000 0.1734227 0.9508878), wk = 0.0015385 k( 98) = ( 0.1000000 0.1734227 1.1107008), wk = 0.0015385 k( 99) = ( 0.1000000 0.1734227 1.2705139), wk = 0.0015385 k( 100) = ( 0.1000000 0.1734227 -0.6472429), wk = 0.0015385 k( 101) = ( 0.1000000 0.1734227 -0.4874299), wk = 0.0015385 k( 102) = ( 0.1000000 0.1734227 -0.3276168), wk = 0.0015385 k( 103) = ( 0.1000000 0.1734227 -0.1678037), wk = 0.0015385 k( 104) = ( 0.1000000 0.1734227 -0.0079907), wk = 0.0015385 k( 105) = ( 0.1000000 0.1734227 0.1518224), wk = 0.0015385 k( 106) = ( 0.1000000 0.2919325 0.4155140), wk = 0.0015385 k( 107) = ( 0.1000000 0.2919325 0.5753270), wk = 0.0015385 k( 108) = ( 0.1000000 0.2919325 0.7351401), wk = 0.0015385 k( 109) = ( 0.1000000 0.2919325 0.8949532), wk = 0.0015385 k( 110) = ( 0.1000000 0.2919325 1.0547663), wk = 0.0015385 k( 111) = ( 0.1000000 0.2919325 1.2145793), wk = 0.0015385 k( 112) = ( 0.1000000 0.2919325 1.3743924), wk = 0.0015385 k( 113) = ( 0.1000000 0.2919325 -0.5433644), wk = 0.0015385 k( 114) = ( 0.1000000 0.2919325 -0.3835514), wk = 0.0015385 k( 115) = ( 0.1000000 0.2919325 -0.2237383), wk = 0.0015385 k( 116) = ( 0.1000000 0.2919325 -0.0639252), wk = 0.0015385 k( 117) = ( 0.1000000 0.2919325 0.0958878), wk = 0.0015385 k( 118) = ( 0.1000000 0.2919325 0.2557009), wk = 0.0015385 k( 119) = ( 0.1000000 0.4104424 0.5193925), wk = 0.0015385 k( 120) = ( 0.1000000 0.4104424 0.6792055), wk = 0.0015385 k( 121) = ( 0.1000000 0.4104424 0.8390186), wk = 0.0015385 k( 122) = ( 0.1000000 0.4104424 0.9988317), wk = 0.0015385 k( 123) = ( 0.1000000 0.4104424 1.1586447), wk = 0.0015385 k( 124) = ( 0.1000000 0.4104424 1.3184578), wk = 0.0015385 k( 125) = ( 0.1000000 0.4104424 1.4782709), wk = 0.0015385 k( 126) = ( 0.1000000 0.4104424 -0.4394859), wk = 0.0015385 k( 127) = ( 0.1000000 0.4104424 -0.2796729), wk = 0.0015385 k( 128) = ( 0.1000000 0.4104424 -0.1198598), wk = 0.0015385 k( 129) = ( 0.1000000 0.4104424 0.0399533), wk = 0.0015385 k( 130) = ( 0.1000000 0.4104424 0.1997663), wk = 0.0015385 k( 131) = ( 0.1000000 0.4104424 0.3595794), wk = 0.0015385 k( 132) = ( 0.1000000 -0.6561466 -0.4155140), wk = 0.0015385 k( 133) = ( 0.1000000 -0.6561466 -0.2557009), wk = 0.0015385 k( 134) = ( 0.1000000 -0.6561466 -0.0958878), wk = 0.0015385 k( 135) = ( 0.1000000 -0.6561466 0.0639252), wk = 0.0015385 k( 136) = ( 0.1000000 -0.6561466 0.2237383), wk = 0.0015385 k( 137) = ( 0.1000000 -0.6561466 0.3835514), wk = 0.0015385 k( 138) = ( 0.1000000 -0.6561466 0.5433644), wk = 0.0015385 k( 139) = ( 0.1000000 -0.6561466 -1.3743924), wk = 0.0015385 k( 140) = ( 0.1000000 -0.6561466 -1.2145793), wk = 0.0015385 k( 141) = ( 0.1000000 -0.6561466 -1.0547663), wk = 0.0015385 k( 142) = ( 0.1000000 -0.6561466 -0.8949532), wk = 0.0015385 k( 143) = ( 0.1000000 -0.6561466 -0.7351401), wk = 0.0015385 k( 144) = ( 0.1000000 -0.6561466 -0.5753270), wk = 0.0015385 k( 145) = ( 0.1000000 -0.5376367 -0.3116355), wk = 0.0015385 k( 146) = ( 0.1000000 -0.5376367 -0.1518224), wk = 0.0015385 k( 147) = ( 0.1000000 -0.5376367 0.0079907), wk = 0.0015385 k( 148) = ( 0.1000000 -0.5376367 0.1678037), wk = 0.0015385 k( 149) = ( 0.1000000 -0.5376367 0.3276168), wk = 0.0015385 k( 150) = ( 0.1000000 -0.5376367 0.4874299), wk = 0.0015385 k( 151) = ( 0.1000000 -0.5376367 0.6472429), wk = 0.0015385 k( 152) = ( 0.1000000 -0.5376367 -1.2705139), wk = 0.0015385 k( 153) = ( 0.1000000 -0.5376367 -1.1107008), wk = 0.0015385 k( 154) = ( 0.1000000 -0.5376367 -0.9508878), wk = 0.0015385 k( 155) = ( 0.1000000 -0.5376367 -0.7910747), wk = 0.0015385 k( 156) = ( 0.1000000 -0.5376367 -0.6312616), wk = 0.0015385 k( 157) = ( 0.1000000 -0.5376367 -0.4714486), wk = 0.0015385 k( 158) = ( 0.1000000 -0.4191268 -0.2077570), wk = 0.0015385 k( 159) = ( 0.1000000 -0.4191268 -0.0479439), wk = 0.0015385 k( 160) = ( 0.1000000 -0.4191268 0.1118691), wk = 0.0015385 k( 161) = ( 0.1000000 -0.4191268 0.2716822), wk = 0.0015385 k( 162) = ( 0.1000000 -0.4191268 0.4314953), wk = 0.0015385 k( 163) = ( 0.1000000 -0.4191268 0.5913084), wk = 0.0015385 k( 164) = ( 0.1000000 -0.4191268 0.7511214), wk = 0.0015385 k( 165) = ( 0.1000000 -0.4191268 -1.1666354), wk = 0.0015385 k( 166) = ( 0.1000000 -0.4191268 -1.0068223), wk = 0.0015385 k( 167) = ( 0.1000000 -0.4191268 -0.8470093), wk = 0.0015385 k( 168) = ( 0.1000000 -0.4191268 -0.6871962), wk = 0.0015385 k( 169) = ( 0.1000000 -0.4191268 -0.5273831), wk = 0.0015385 k( 170) = ( 0.1000000 -0.4191268 -0.3675701), wk = 0.0015385 k( 171) = ( 0.1000000 -0.3006169 -0.1038785), wk = 0.0015385 k( 172) = ( 0.1000000 -0.3006169 0.0559346), wk = 0.0015385 k( 173) = ( 0.1000000 -0.3006169 0.2157476), wk = 0.0015385 k( 174) = ( 0.1000000 -0.3006169 0.3755607), wk = 0.0015385 k( 175) = ( 0.1000000 -0.3006169 0.5353738), wk = 0.0015385 k( 176) = ( 0.1000000 -0.3006169 0.6951868), wk = 0.0015385 k( 177) = ( 0.1000000 -0.3006169 0.8549999), wk = 0.0015385 k( 178) = ( 0.1000000 -0.3006169 -1.0627569), wk = 0.0015385 k( 179) = ( 0.1000000 -0.3006169 -0.9029438), wk = 0.0015385 k( 180) = ( 0.1000000 -0.3006169 -0.7431308), wk = 0.0015385 k( 181) = ( 0.1000000 -0.3006169 -0.5833177), wk = 0.0015385 k( 182) = ( 0.1000000 -0.3006169 -0.4235046), wk = 0.0015385 k( 183) = ( 0.1000000 -0.3006169 -0.2636916), wk = 0.0015385 k( 184) = ( 0.1000000 -0.1821070 0.0000000), wk = 0.0015385 k( 185) = ( 0.1000000 -0.1821070 0.1598131), wk = 0.0030769 k( 186) = ( 0.1000000 -0.1821070 0.3196261), wk = 0.0030769 k( 187) = ( 0.1000000 -0.1821070 0.4794392), wk = 0.0030769 k( 188) = ( 0.1000000 -0.1821070 0.6392523), wk = 0.0030769 k( 189) = ( 0.1000000 -0.1821070 0.7990653), wk = 0.0030769 k( 190) = ( 0.1000000 -0.1821070 0.9588784), wk = 0.0030769 k( 191) = ( 0.2000000 -0.1271943 0.2077570), wk = 0.0015385 k( 192) = ( 0.2000000 -0.1271943 0.3675701), wk = 0.0015385 k( 193) = ( 0.2000000 -0.1271943 0.5273831), wk = 0.0015385 k( 194) = ( 0.2000000 -0.1271943 0.6871962), wk = 0.0015385 k( 195) = ( 0.2000000 -0.1271943 0.8470093), wk = 0.0015385 k( 196) = ( 0.2000000 -0.1271943 1.0068223), wk = 0.0015385 k( 197) = ( 0.2000000 -0.1271943 1.1666354), wk = 0.0015385 k( 198) = ( 0.2000000 -0.1271943 -0.7511214), wk = 0.0015385 k( 199) = ( 0.2000000 -0.1271943 -0.5913084), wk = 0.0015385 k( 200) = ( 0.2000000 -0.1271943 -0.4314953), wk = 0.0015385 k( 201) = ( 0.2000000 -0.1271943 -0.2716822), wk = 0.0015385 k( 202) = ( 0.2000000 -0.1271943 -0.1118691), wk = 0.0015385 k( 203) = ( 0.2000000 -0.1271943 0.0479439), wk = 0.0015385 k( 204) = ( 0.2000000 -0.0086844 0.3116355), wk = 0.0015385 k( 205) = ( 0.2000000 -0.0086844 0.4714486), wk = 0.0015385 k( 206) = ( 0.2000000 -0.0086844 0.6312616), wk = 0.0015385 k( 207) = ( 0.2000000 -0.0086844 0.7910747), wk = 0.0015385 k( 208) = ( 0.2000000 -0.0086844 0.9508878), wk = 0.0015385 k( 209) = ( 0.2000000 -0.0086844 1.1107008), wk = 0.0015385 k( 210) = ( 0.2000000 -0.0086844 1.2705139), wk = 0.0015385 k( 211) = ( 0.2000000 -0.0086844 -0.6472429), wk = 0.0015385 k( 212) = ( 0.2000000 -0.0086844 -0.4874299), wk = 0.0015385 k( 213) = ( 0.2000000 -0.0086844 -0.3276168), wk = 0.0015385 k( 214) = ( 0.2000000 -0.0086844 -0.1678037), wk = 0.0015385 k( 215) = ( 0.2000000 -0.0086844 -0.0079907), wk = 0.0015385 k( 216) = ( 0.2000000 -0.0086844 0.1518224), wk = 0.0015385 k( 217) = ( 0.2000000 0.1098255 0.4155140), wk = 0.0015385 k( 218) = ( 0.2000000 0.1098255 0.5753270), wk = 0.0015385 k( 219) = ( 0.2000000 0.1098255 0.7351401), wk = 0.0015385 k( 220) = ( 0.2000000 0.1098255 0.8949532), wk = 0.0015385 k( 221) = ( 0.2000000 0.1098255 1.0547663), wk = 0.0015385 k( 222) = ( 0.2000000 0.1098255 1.2145793), wk = 0.0015385 k( 223) = ( 0.2000000 0.1098255 1.3743924), wk = 0.0015385 k( 224) = ( 0.2000000 0.1098255 -0.5433644), wk = 0.0015385 k( 225) = ( 0.2000000 0.1098255 -0.3835514), wk = 0.0015385 k( 226) = ( 0.2000000 0.1098255 -0.2237383), wk = 0.0015385 k( 227) = ( 0.2000000 0.1098255 -0.0639252), wk = 0.0015385 k( 228) = ( 0.2000000 0.1098255 0.0958878), wk = 0.0015385 k( 229) = ( 0.2000000 0.1098255 0.2557009), wk = 0.0015385 k( 230) = ( 0.2000000 0.2283354 0.5193925), wk = 0.0015385 k( 231) = ( 0.2000000 0.2283354 0.6792055), wk = 0.0015385 k( 232) = ( 0.2000000 0.2283354 0.8390186), wk = 0.0015385 k( 233) = ( 0.2000000 0.2283354 0.9988317), wk = 0.0015385 k( 234) = ( 0.2000000 0.2283354 1.1586447), wk = 0.0015385 k( 235) = ( 0.2000000 0.2283354 1.3184578), wk = 0.0015385 k( 236) = ( 0.2000000 0.2283354 1.4782709), wk = 0.0015385 k( 237) = ( 0.2000000 0.2283354 -0.4394859), wk = 0.0015385 k( 238) = ( 0.2000000 0.2283354 -0.2796729), wk = 0.0015385 k( 239) = ( 0.2000000 0.2283354 -0.1198598), wk = 0.0015385 k( 240) = ( 0.2000000 0.2283354 0.0399533), wk = 0.0015385 k( 241) = ( 0.2000000 0.2283354 0.1997663), wk = 0.0015385 k( 242) = ( 0.2000000 0.2283354 0.3595794), wk = 0.0015385 k( 243) = ( 0.2000000 0.3468453 0.6232710), wk = 0.0015385 k( 244) = ( 0.2000000 0.3468453 0.7830840), wk = 0.0015385 k( 245) = ( 0.2000000 0.3468453 0.9428971), wk = 0.0015385 k( 246) = ( 0.2000000 0.3468453 1.1027102), wk = 0.0015385 k( 247) = ( 0.2000000 0.3468453 1.2625232), wk = 0.0015385 k( 248) = ( 0.2000000 0.3468453 1.4223363), wk = 0.0015385 k( 249) = ( 0.2000000 0.3468453 1.5821494), wk = 0.0015385 k( 250) = ( 0.2000000 0.3468453 -0.3356074), wk = 0.0015385 k( 251) = ( 0.2000000 0.3468453 -0.1757944), wk = 0.0015385 k( 252) = ( 0.2000000 0.3468453 -0.0159813), wk = 0.0015385 k( 253) = ( 0.2000000 0.3468453 0.1438318), wk = 0.0015385 k( 254) = ( 0.2000000 0.3468453 0.3036448), wk = 0.0015385 k( 255) = ( 0.2000000 0.3468453 0.4634579), wk = 0.0015385 k( 256) = ( 0.2000000 -0.7197437 -0.3116355), wk = 0.0015385 k( 257) = ( 0.2000000 -0.7197437 -0.1518224), wk = 0.0015385 k( 258) = ( 0.2000000 -0.7197437 0.0079907), wk = 0.0015385 k( 259) = ( 0.2000000 -0.7197437 0.1678037), wk = 0.0015385 k( 260) = ( 0.2000000 -0.7197437 0.3276168), wk = 0.0015385 k( 261) = ( 0.2000000 -0.7197437 0.4874299), wk = 0.0015385 k( 262) = ( 0.2000000 -0.7197437 0.6472429), wk = 0.0015385 k( 263) = ( 0.2000000 -0.7197437 -1.2705139), wk = 0.0015385 k( 264) = ( 0.2000000 -0.7197437 -1.1107008), wk = 0.0015385 k( 265) = ( 0.2000000 -0.7197437 -0.9508878), wk = 0.0015385 k( 266) = ( 0.2000000 -0.7197437 -0.7910747), wk = 0.0015385 k( 267) = ( 0.2000000 -0.7197437 -0.6312616), wk = 0.0015385 k( 268) = ( 0.2000000 -0.7197437 -0.4714486), wk = 0.0015385 k( 269) = ( 0.2000000 -0.6012338 -0.2077570), wk = 0.0015385 k( 270) = ( 0.2000000 -0.6012338 -0.0479439), wk = 0.0015385 k( 271) = ( 0.2000000 -0.6012338 0.1118691), wk = 0.0015385 k( 272) = ( 0.2000000 -0.6012338 0.2716822), wk = 0.0015385 k( 273) = ( 0.2000000 -0.6012338 0.4314953), wk = 0.0015385 k( 274) = ( 0.2000000 -0.6012338 0.5913084), wk = 0.0015385 k( 275) = ( 0.2000000 -0.6012338 0.7511214), wk = 0.0015385 k( 276) = ( 0.2000000 -0.6012338 -1.1666354), wk = 0.0015385 k( 277) = ( 0.2000000 -0.6012338 -1.0068223), wk = 0.0015385 k( 278) = ( 0.2000000 -0.6012338 -0.8470093), wk = 0.0015385 k( 279) = ( 0.2000000 -0.6012338 -0.6871962), wk = 0.0015385 k( 280) = ( 0.2000000 -0.6012338 -0.5273831), wk = 0.0015385 k( 281) = ( 0.2000000 -0.6012338 -0.3675701), wk = 0.0015385 k( 282) = ( 0.2000000 -0.4827239 -0.1038785), wk = 0.0015385 k( 283) = ( 0.2000000 -0.4827239 0.0559346), wk = 0.0015385 k( 284) = ( 0.2000000 -0.4827239 0.2157476), wk = 0.0015385 k( 285) = ( 0.2000000 -0.4827239 0.3755607), wk = 0.0015385 k( 286) = ( 0.2000000 -0.4827239 0.5353738), wk = 0.0015385 k( 287) = ( 0.2000000 -0.4827239 0.6951868), wk = 0.0015385 k( 288) = ( 0.2000000 -0.4827239 0.8549999), wk = 0.0015385 k( 289) = ( 0.2000000 -0.4827239 -1.0627569), wk = 0.0015385 k( 290) = ( 0.2000000 -0.4827239 -0.9029438), wk = 0.0015385 k( 291) = ( 0.2000000 -0.4827239 -0.7431308), wk = 0.0015385 k( 292) = ( 0.2000000 -0.4827239 -0.5833177), wk = 0.0015385 k( 293) = ( 0.2000000 -0.4827239 -0.4235046), wk = 0.0015385 k( 294) = ( 0.2000000 -0.4827239 -0.2636916), wk = 0.0015385 k( 295) = ( 0.2000000 -0.3642140 0.0000000), wk = 0.0015385 k( 296) = ( 0.2000000 -0.3642140 0.1598131), wk = 0.0030769 k( 297) = ( 0.2000000 -0.3642140 0.3196261), wk = 0.0030769 k( 298) = ( 0.2000000 -0.3642140 0.4794392), wk = 0.0030769 k( 299) = ( 0.2000000 -0.3642140 0.6392523), wk = 0.0030769 k( 300) = ( 0.2000000 -0.3642140 0.7990653), wk = 0.0030769 k( 301) = ( 0.2000000 -0.3642140 0.9588784), wk = 0.0030769 k( 302) = ( 0.2000000 -0.2457041 0.1038785), wk = 0.0015385 k( 303) = ( 0.2000000 -0.2457041 0.2636916), wk = 0.0015385 k( 304) = ( 0.2000000 -0.2457041 0.4235046), wk = 0.0015385 k( 305) = ( 0.2000000 -0.2457041 0.5833177), wk = 0.0015385 k( 306) = ( 0.2000000 -0.2457041 0.7431308), wk = 0.0015385 k( 307) = ( 0.2000000 -0.2457041 0.9029438), wk = 0.0015385 k( 308) = ( 0.2000000 -0.2457041 1.0627569), wk = 0.0015385 k( 309) = ( 0.2000000 -0.2457041 -0.8549999), wk = 0.0015385 k( 310) = ( 0.2000000 -0.2457041 -0.6951868), wk = 0.0015385 k( 311) = ( 0.2000000 -0.2457041 -0.5353738), wk = 0.0015385 k( 312) = ( 0.2000000 -0.2457041 -0.3755607), wk = 0.0015385 k( 313) = ( 0.2000000 -0.2457041 -0.2157476), wk = 0.0015385 k( 314) = ( 0.2000000 -0.2457041 -0.0559346), wk = 0.0015385 k( 315) = ( 0.3000000 -0.1907914 0.3116355), wk = 0.0015385 k( 316) = ( 0.3000000 -0.1907914 0.4714486), wk = 0.0015385 k( 317) = ( 0.3000000 -0.1907914 0.6312616), wk = 0.0015385 k( 318) = ( 0.3000000 -0.1907914 0.7910747), wk = 0.0015385 k( 319) = ( 0.3000000 -0.1907914 0.9508878), wk = 0.0015385 k( 320) = ( 0.3000000 -0.1907914 1.1107008), wk = 0.0015385 k( 321) = ( 0.3000000 -0.1907914 1.2705139), wk = 0.0015385 k( 322) = ( 0.3000000 -0.1907914 -0.6472429), wk = 0.0015385 k( 323) = ( 0.3000000 -0.1907914 -0.4874299), wk = 0.0015385 k( 324) = ( 0.3000000 -0.1907914 -0.3276168), wk = 0.0015385 k( 325) = ( 0.3000000 -0.1907914 -0.1678037), wk = 0.0015385 k( 326) = ( 0.3000000 -0.1907914 -0.0079907), wk = 0.0015385 k( 327) = ( 0.3000000 -0.1907914 0.1518224), wk = 0.0015385 k( 328) = ( 0.3000000 -0.0722815 0.4155140), wk = 0.0015385 k( 329) = ( 0.3000000 -0.0722815 0.5753270), wk = 0.0015385 k( 330) = ( 0.3000000 -0.0722815 0.7351401), wk = 0.0015385 k( 331) = ( 0.3000000 -0.0722815 0.8949532), wk = 0.0015385 k( 332) = ( 0.3000000 -0.0722815 1.0547663), wk = 0.0015385 k( 333) = ( 0.3000000 -0.0722815 1.2145793), wk = 0.0015385 k( 334) = ( 0.3000000 -0.0722815 1.3743924), wk = 0.0015385 k( 335) = ( 0.3000000 -0.0722815 -0.5433644), wk = 0.0015385 k( 336) = ( 0.3000000 -0.0722815 -0.3835514), wk = 0.0015385 k( 337) = ( 0.3000000 -0.0722815 -0.2237383), wk = 0.0015385 k( 338) = ( 0.3000000 -0.0722815 -0.0639252), wk = 0.0015385 k( 339) = ( 0.3000000 -0.0722815 0.0958878), wk = 0.0015385 k( 340) = ( 0.3000000 -0.0722815 0.2557009), wk = 0.0015385 k( 341) = ( 0.3000000 0.0462284 0.5193925), wk = 0.0015385 k( 342) = ( 0.3000000 0.0462284 0.6792055), wk = 0.0015385 k( 343) = ( 0.3000000 0.0462284 0.8390186), wk = 0.0015385 k( 344) = ( 0.3000000 0.0462284 0.9988317), wk = 0.0015385 k( 345) = ( 0.3000000 0.0462284 1.1586447), wk = 0.0015385 k( 346) = ( 0.3000000 0.0462284 1.3184578), wk = 0.0015385 k( 347) = ( 0.3000000 0.0462284 1.4782709), wk = 0.0015385 k( 348) = ( 0.3000000 0.0462284 -0.4394859), wk = 0.0015385 k( 349) = ( 0.3000000 0.0462284 -0.2796729), wk = 0.0015385 k( 350) = ( 0.3000000 0.0462284 -0.1198598), wk = 0.0015385 k( 351) = ( 0.3000000 0.0462284 0.0399533), wk = 0.0015385 k( 352) = ( 0.3000000 0.0462284 0.1997663), wk = 0.0015385 k( 353) = ( 0.3000000 0.0462284 0.3595794), wk = 0.0015385 k( 354) = ( 0.3000000 0.1647383 0.6232710), wk = 0.0015385 k( 355) = ( 0.3000000 0.1647383 0.7830840), wk = 0.0015385 k( 356) = ( 0.3000000 0.1647383 0.9428971), wk = 0.0015385 k( 357) = ( 0.3000000 0.1647383 1.1027102), wk = 0.0015385 k( 358) = ( 0.3000000 0.1647383 1.2625232), wk = 0.0015385 k( 359) = ( 0.3000000 0.1647383 1.4223363), wk = 0.0015385 k( 360) = ( 0.3000000 0.1647383 1.5821494), wk = 0.0015385 k( 361) = ( 0.3000000 0.1647383 -0.3356074), wk = 0.0015385 k( 362) = ( 0.3000000 0.1647383 -0.1757944), wk = 0.0015385 k( 363) = ( 0.3000000 0.1647383 -0.0159813), wk = 0.0015385 k( 364) = ( 0.3000000 0.1647383 0.1438318), wk = 0.0015385 k( 365) = ( 0.3000000 0.1647383 0.3036448), wk = 0.0015385 k( 366) = ( 0.3000000 0.1647383 0.4634579), wk = 0.0015385 k( 367) = ( 0.3000000 0.2832482 0.7271495), wk = 0.0015385 k( 368) = ( 0.3000000 0.2832482 0.8869625), wk = 0.0015385 k( 369) = ( 0.3000000 0.2832482 1.0467756), wk = 0.0015385 k( 370) = ( 0.3000000 0.2832482 1.2065887), wk = 0.0015385 k( 371) = ( 0.3000000 0.2832482 1.3664017), wk = 0.0015385 k( 372) = ( 0.3000000 0.2832482 1.5262148), wk = 0.0015385 k( 373) = ( 0.3000000 0.2832482 1.6860279), wk = 0.0015385 k( 374) = ( 0.3000000 0.2832482 -0.2317289), wk = 0.0015385 k( 375) = ( 0.3000000 0.2832482 -0.0719159), wk = 0.0015385 k( 376) = ( 0.3000000 0.2832482 0.0878972), wk = 0.0015385 k( 377) = ( 0.3000000 0.2832482 0.2477103), wk = 0.0015385 k( 378) = ( 0.3000000 0.2832482 0.4075233), wk = 0.0015385 k( 379) = ( 0.3000000 0.2832482 0.5673364), wk = 0.0015385 k( 380) = ( 0.3000000 -0.7833408 -0.2077570), wk = 0.0015385 k( 381) = ( 0.3000000 -0.7833408 -0.0479439), wk = 0.0015385 k( 382) = ( 0.3000000 -0.7833408 0.1118691), wk = 0.0015385 k( 383) = ( 0.3000000 -0.7833408 0.2716822), wk = 0.0015385 k( 384) = ( 0.3000000 -0.7833408 0.4314953), wk = 0.0015385 k( 385) = ( 0.3000000 -0.7833408 0.5913084), wk = 0.0015385 k( 386) = ( 0.3000000 -0.7833408 0.7511214), wk = 0.0015385 k( 387) = ( 0.3000000 -0.7833408 -1.1666354), wk = 0.0015385 k( 388) = ( 0.3000000 -0.7833408 -1.0068223), wk = 0.0015385 k( 389) = ( 0.3000000 -0.7833408 -0.8470093), wk = 0.0015385 k( 390) = ( 0.3000000 -0.7833408 -0.6871962), wk = 0.0015385 k( 391) = ( 0.3000000 -0.7833408 -0.5273831), wk = 0.0015385 k( 392) = ( 0.3000000 -0.7833408 -0.3675701), wk = 0.0015385 k( 393) = ( 0.3000000 -0.6648309 -0.1038785), wk = 0.0015385 k( 394) = ( 0.3000000 -0.6648309 0.0559346), wk = 0.0015385 k( 395) = ( 0.3000000 -0.6648309 0.2157476), wk = 0.0015385 k( 396) = ( 0.3000000 -0.6648309 0.3755607), wk = 0.0015385 k( 397) = ( 0.3000000 -0.6648309 0.5353738), wk = 0.0015385 k( 398) = ( 0.3000000 -0.6648309 0.6951868), wk = 0.0015385 k( 399) = ( 0.3000000 -0.6648309 0.8549999), wk = 0.0015385 k( 400) = ( 0.3000000 -0.6648309 -1.0627569), wk = 0.0015385 k( 401) = ( 0.3000000 -0.6648309 -0.9029438), wk = 0.0015385 k( 402) = ( 0.3000000 -0.6648309 -0.7431308), wk = 0.0015385 k( 403) = ( 0.3000000 -0.6648309 -0.5833177), wk = 0.0015385 k( 404) = ( 0.3000000 -0.6648309 -0.4235046), wk = 0.0015385 k( 405) = ( 0.3000000 -0.6648309 -0.2636916), wk = 0.0015385 k( 406) = ( 0.3000000 -0.5463211 -0.0000000), wk = 0.0015385 k( 407) = ( 0.3000000 -0.5463211 0.1598131), wk = 0.0030769 k( 408) = ( 0.3000000 -0.5463211 0.3196261), wk = 0.0030769 k( 409) = ( 0.3000000 -0.5463211 0.4794392), wk = 0.0030769 k( 410) = ( 0.3000000 -0.5463211 0.6392523), wk = 0.0030769 k( 411) = ( 0.3000000 -0.5463211 0.7990653), wk = 0.0030769 k( 412) = ( 0.3000000 -0.5463211 0.9588784), wk = 0.0030769 k( 413) = ( 0.3000000 -0.4278112 0.1038785), wk = 0.0015385 k( 414) = ( 0.3000000 -0.4278112 0.2636916), wk = 0.0015385 k( 415) = ( 0.3000000 -0.4278112 0.4235046), wk = 0.0015385 k( 416) = ( 0.3000000 -0.4278112 0.5833177), wk = 0.0015385 k( 417) = ( 0.3000000 -0.4278112 0.7431308), wk = 0.0015385 k( 418) = ( 0.3000000 -0.4278112 0.9029438), wk = 0.0015385 k( 419) = ( 0.3000000 -0.4278112 1.0627569), wk = 0.0015385 k( 420) = ( 0.3000000 -0.4278112 -0.8549999), wk = 0.0015385 k( 421) = ( 0.3000000 -0.4278112 -0.6951868), wk = 0.0015385 k( 422) = ( 0.3000000 -0.4278112 -0.5353738), wk = 0.0015385 k( 423) = ( 0.3000000 -0.4278112 -0.3755607), wk = 0.0015385 k( 424) = ( 0.3000000 -0.4278112 -0.2157476), wk = 0.0015385 k( 425) = ( 0.3000000 -0.4278112 -0.0559346), wk = 0.0015385 k( 426) = ( 0.3000000 -0.3093013 0.2077570), wk = 0.0015385 k( 427) = ( 0.3000000 -0.3093013 0.3675701), wk = 0.0015385 k( 428) = ( 0.3000000 -0.3093013 0.5273831), wk = 0.0015385 k( 429) = ( 0.3000000 -0.3093013 0.6871962), wk = 0.0015385 k( 430) = ( 0.3000000 -0.3093013 0.8470093), wk = 0.0015385 k( 431) = ( 0.3000000 -0.3093013 1.0068223), wk = 0.0015385 k( 432) = ( 0.3000000 -0.3093013 1.1666354), wk = 0.0015385 k( 433) = ( 0.3000000 -0.3093013 -0.7511214), wk = 0.0015385 k( 434) = ( 0.3000000 -0.3093013 -0.5913084), wk = 0.0015385 k( 435) = ( 0.3000000 -0.3093013 -0.4314953), wk = 0.0015385 k( 436) = ( 0.3000000 -0.3093013 -0.2716822), wk = 0.0015385 k( 437) = ( 0.3000000 -0.3093013 -0.1118691), wk = 0.0015385 k( 438) = ( 0.3000000 -0.3093013 0.0479439), wk = 0.0015385 k( 439) = ( 0.4000000 -0.2543885 0.4155140), wk = 0.0015385 k( 440) = ( 0.4000000 -0.2543885 0.5753270), wk = 0.0015385 k( 441) = ( 0.4000000 -0.2543885 0.7351401), wk = 0.0015385 k( 442) = ( 0.4000000 -0.2543885 0.8949532), wk = 0.0015385 k( 443) = ( 0.4000000 -0.2543885 1.0547663), wk = 0.0015385 k( 444) = ( 0.4000000 -0.2543885 1.2145793), wk = 0.0015385 k( 445) = ( 0.4000000 -0.2543885 1.3743924), wk = 0.0015385 k( 446) = ( 0.4000000 -0.2543885 -0.5433644), wk = 0.0015385 k( 447) = ( 0.4000000 -0.2543885 -0.3835514), wk = 0.0015385 k( 448) = ( 0.4000000 -0.2543885 -0.2237383), wk = 0.0015385 k( 449) = ( 0.4000000 -0.2543885 -0.0639252), wk = 0.0015385 k( 450) = ( 0.4000000 -0.2543885 0.0958878), wk = 0.0015385 k( 451) = ( 0.4000000 -0.2543885 0.2557009), wk = 0.0015385 k( 452) = ( 0.4000000 -0.1358786 0.5193925), wk = 0.0015385 k( 453) = ( 0.4000000 -0.1358786 0.6792055), wk = 0.0015385 k( 454) = ( 0.4000000 -0.1358786 0.8390186), wk = 0.0015385 k( 455) = ( 0.4000000 -0.1358786 0.9988317), wk = 0.0015385 k( 456) = ( 0.4000000 -0.1358786 1.1586447), wk = 0.0015385 k( 457) = ( 0.4000000 -0.1358786 1.3184578), wk = 0.0015385 k( 458) = ( 0.4000000 -0.1358786 1.4782709), wk = 0.0015385 k( 459) = ( 0.4000000 -0.1358786 -0.4394859), wk = 0.0015385 k( 460) = ( 0.4000000 -0.1358786 -0.2796729), wk = 0.0015385 k( 461) = ( 0.4000000 -0.1358786 -0.1198598), wk = 0.0015385 k( 462) = ( 0.4000000 -0.1358786 0.0399533), wk = 0.0015385 k( 463) = ( 0.4000000 -0.1358786 0.1997663), wk = 0.0015385 k( 464) = ( 0.4000000 -0.1358786 0.3595794), wk = 0.0015385 k( 465) = ( 0.4000000 -0.0173687 0.6232710), wk = 0.0015385 k( 466) = ( 0.4000000 -0.0173687 0.7830840), wk = 0.0015385 k( 467) = ( 0.4000000 -0.0173687 0.9428971), wk = 0.0015385 k( 468) = ( 0.4000000 -0.0173687 1.1027102), wk = 0.0015385 k( 469) = ( 0.4000000 -0.0173687 1.2625232), wk = 0.0015385 k( 470) = ( 0.4000000 -0.0173687 1.4223363), wk = 0.0015385 k( 471) = ( 0.4000000 -0.0173687 1.5821494), wk = 0.0015385 k( 472) = ( 0.4000000 -0.0173687 -0.3356074), wk = 0.0015385 k( 473) = ( 0.4000000 -0.0173687 -0.1757944), wk = 0.0015385 k( 474) = ( 0.4000000 -0.0173687 -0.0159813), wk = 0.0015385 k( 475) = ( 0.4000000 -0.0173687 0.1438318), wk = 0.0015385 k( 476) = ( 0.4000000 -0.0173687 0.3036448), wk = 0.0015385 k( 477) = ( 0.4000000 -0.0173687 0.4634579), wk = 0.0015385 k( 478) = ( 0.4000000 0.1011412 0.7271495), wk = 0.0015385 k( 479) = ( 0.4000000 0.1011412 0.8869625), wk = 0.0015385 k( 480) = ( 0.4000000 0.1011412 1.0467756), wk = 0.0015385 k( 481) = ( 0.4000000 0.1011412 1.2065887), wk = 0.0015385 k( 482) = ( 0.4000000 0.1011412 1.3664017), wk = 0.0015385 k( 483) = ( 0.4000000 0.1011412 1.5262148), wk = 0.0015385 k( 484) = ( 0.4000000 0.1011412 1.6860279), wk = 0.0015385 k( 485) = ( 0.4000000 0.1011412 -0.2317289), wk = 0.0015385 k( 486) = ( 0.4000000 0.1011412 -0.0719159), wk = 0.0015385 k( 487) = ( 0.4000000 0.1011412 0.0878972), wk = 0.0015385 k( 488) = ( 0.4000000 0.1011412 0.2477103), wk = 0.0015385 k( 489) = ( 0.4000000 0.1011412 0.4075233), wk = 0.0015385 k( 490) = ( 0.4000000 0.1011412 0.5673364), wk = 0.0015385 k( 491) = ( 0.4000000 0.2196511 0.8310280), wk = 0.0015385 k( 492) = ( 0.4000000 0.2196511 0.9908410), wk = 0.0015385 k( 493) = ( 0.4000000 0.2196511 1.1506541), wk = 0.0015385 k( 494) = ( 0.4000000 0.2196511 1.3104672), wk = 0.0015385 k( 495) = ( 0.4000000 0.2196511 1.4702802), wk = 0.0015385 k( 496) = ( 0.4000000 0.2196511 1.6300933), wk = 0.0015385 k( 497) = ( 0.4000000 0.2196511 1.7899064), wk = 0.0015385 k( 498) = ( 0.4000000 0.2196511 -0.1278505), wk = 0.0015385 k( 499) = ( 0.4000000 0.2196511 0.0319626), wk = 0.0015385 k( 500) = ( 0.4000000 0.2196511 0.1917757), wk = 0.0015385 k( 501) = ( 0.4000000 0.2196511 0.3515888), wk = 0.0015385 k( 502) = ( 0.4000000 0.2196511 0.5114018), wk = 0.0015385 k( 503) = ( 0.4000000 0.2196511 0.6712149), wk = 0.0015385 k( 504) = ( 0.4000000 -0.8469380 -0.1038785), wk = 0.0015385 k( 505) = ( 0.4000000 -0.8469380 0.0559346), wk = 0.0015385 k( 506) = ( 0.4000000 -0.8469380 0.2157476), wk = 0.0015385 k( 507) = ( 0.4000000 -0.8469380 0.3755607), wk = 0.0015385 k( 508) = ( 0.4000000 -0.8469380 0.5353738), wk = 0.0015385 k( 509) = ( 0.4000000 -0.8469380 0.6951868), wk = 0.0015385 k( 510) = ( 0.4000000 -0.8469380 0.8549999), wk = 0.0015385 k( 511) = ( 0.4000000 -0.8469380 -1.0627569), wk = 0.0015385 k( 512) = ( 0.4000000 -0.8469380 -0.9029438), wk = 0.0015385 k( 513) = ( 0.4000000 -0.8469380 -0.7431308), wk = 0.0015385 k( 514) = ( 0.4000000 -0.8469380 -0.5833177), wk = 0.0015385 k( 515) = ( 0.4000000 -0.8469380 -0.4235046), wk = 0.0015385 k( 516) = ( 0.4000000 -0.8469380 -0.2636916), wk = 0.0015385 k( 517) = ( 0.4000000 -0.7284281 0.0000000), wk = 0.0015385 k( 518) = ( 0.4000000 -0.7284281 0.1598131), wk = 0.0030769 k( 519) = ( 0.4000000 -0.7284281 0.3196261), wk = 0.0030769 k( 520) = ( 0.4000000 -0.7284281 0.4794392), wk = 0.0030769 k( 521) = ( 0.4000000 -0.7284281 0.6392523), wk = 0.0030769 k( 522) = ( 0.4000000 -0.7284281 0.7990653), wk = 0.0030769 k( 523) = ( 0.4000000 -0.7284281 0.9588784), wk = 0.0030769 k( 524) = ( 0.4000000 -0.6099182 0.1038785), wk = 0.0015385 k( 525) = ( 0.4000000 -0.6099182 0.2636916), wk = 0.0015385 k( 526) = ( 0.4000000 -0.6099182 0.4235046), wk = 0.0015385 k( 527) = ( 0.4000000 -0.6099182 0.5833177), wk = 0.0015385 k( 528) = ( 0.4000000 -0.6099182 0.7431308), wk = 0.0015385 k( 529) = ( 0.4000000 -0.6099182 0.9029438), wk = 0.0015385 k( 530) = ( 0.4000000 -0.6099182 1.0627569), wk = 0.0015385 k( 531) = ( 0.4000000 -0.6099182 -0.8549999), wk = 0.0015385 k( 532) = ( 0.4000000 -0.6099182 -0.6951868), wk = 0.0015385 k( 533) = ( 0.4000000 -0.6099182 -0.5353738), wk = 0.0015385 k( 534) = ( 0.4000000 -0.6099182 -0.3755607), wk = 0.0015385 k( 535) = ( 0.4000000 -0.6099182 -0.2157476), wk = 0.0015385 k( 536) = ( 0.4000000 -0.6099182 -0.0559346), wk = 0.0015385 k( 537) = ( 0.4000000 -0.4914083 0.2077570), wk = 0.0015385 k( 538) = ( 0.4000000 -0.4914083 0.3675701), wk = 0.0015385 k( 539) = ( 0.4000000 -0.4914083 0.5273831), wk = 0.0015385 k( 540) = ( 0.4000000 -0.4914083 0.6871962), wk = 0.0015385 k( 541) = ( 0.4000000 -0.4914083 0.8470093), wk = 0.0015385 k( 542) = ( 0.4000000 -0.4914083 1.0068223), wk = 0.0015385 k( 543) = ( 0.4000000 -0.4914083 1.1666354), wk = 0.0015385 k( 544) = ( 0.4000000 -0.4914083 -0.7511214), wk = 0.0015385 k( 545) = ( 0.4000000 -0.4914083 -0.5913084), wk = 0.0015385 k( 546) = ( 0.4000000 -0.4914083 -0.4314953), wk = 0.0015385 k( 547) = ( 0.4000000 -0.4914083 -0.2716822), wk = 0.0015385 k( 548) = ( 0.4000000 -0.4914083 -0.1118691), wk = 0.0015385 k( 549) = ( 0.4000000 -0.4914083 0.0479439), wk = 0.0015385 k( 550) = ( 0.4000000 -0.3728984 0.3116355), wk = 0.0015385 k( 551) = ( 0.4000000 -0.3728984 0.4714486), wk = 0.0015385 k( 552) = ( 0.4000000 -0.3728984 0.6312616), wk = 0.0015385 k( 553) = ( 0.4000000 -0.3728984 0.7910747), wk = 0.0015385 k( 554) = ( 0.4000000 -0.3728984 0.9508878), wk = 0.0015385 k( 555) = ( 0.4000000 -0.3728984 1.1107008), wk = 0.0015385 k( 556) = ( 0.4000000 -0.3728984 1.2705139), wk = 0.0015385 k( 557) = ( 0.4000000 -0.3728984 -0.6472429), wk = 0.0015385 k( 558) = ( 0.4000000 -0.3728984 -0.4874299), wk = 0.0015385 k( 559) = ( 0.4000000 -0.3728984 -0.3276168), wk = 0.0015385 k( 560) = ( 0.4000000 -0.3728984 -0.1678037), wk = 0.0015385 k( 561) = ( 0.4000000 -0.3728984 -0.0079907), wk = 0.0015385 k( 562) = ( 0.4000000 -0.3728984 0.1518224), wk = 0.0015385 k( 563) = ( -0.5000000 0.3179856 -0.5193925), wk = 0.0007692 k( 564) = ( -0.5000000 0.3179856 -0.3595794), wk = 0.0015385 k( 565) = ( -0.5000000 0.3179856 -0.1997663), wk = 0.0015385 k( 566) = ( -0.5000000 0.3179856 -0.0399533), wk = 0.0015385 k( 567) = ( -0.5000000 0.3179856 0.1198598), wk = 0.0015385 k( 568) = ( -0.5000000 0.3179856 0.2796729), wk = 0.0015385 k( 569) = ( -0.5000000 0.3179856 0.4394859), wk = 0.0015385 k( 570) = ( -0.5000000 0.4364955 -0.4155140), wk = 0.0015385 k( 571) = ( -0.5000000 0.4364955 -0.2557009), wk = 0.0015385 k( 572) = ( -0.5000000 0.4364955 -0.0958878), wk = 0.0015385 k( 573) = ( -0.5000000 0.4364955 0.0639252), wk = 0.0015385 k( 574) = ( -0.5000000 0.4364955 0.2237383), wk = 0.0015385 k( 575) = ( -0.5000000 0.4364955 0.3835514), wk = 0.0015385 k( 576) = ( -0.5000000 0.4364955 0.5433644), wk = 0.0015385 k( 577) = ( -0.5000000 0.4364955 -1.3743924), wk = 0.0015385 k( 578) = ( -0.5000000 0.4364955 -1.2145793), wk = 0.0015385 k( 579) = ( -0.5000000 0.4364955 -1.0547663), wk = 0.0015385 k( 580) = ( -0.5000000 0.4364955 -0.8949532), wk = 0.0015385 k( 581) = ( -0.5000000 0.4364955 -0.7351401), wk = 0.0015385 k( 582) = ( -0.5000000 0.4364955 -0.5753270), wk = 0.0015385 k( 583) = ( -0.5000000 0.5550054 -0.3116355), wk = 0.0015385 k( 584) = ( -0.5000000 0.5550054 -0.1518224), wk = 0.0015385 k( 585) = ( -0.5000000 0.5550054 0.0079907), wk = 0.0015385 k( 586) = ( -0.5000000 0.5550054 0.1678037), wk = 0.0015385 k( 587) = ( -0.5000000 0.5550054 0.3276168), wk = 0.0015385 k( 588) = ( -0.5000000 0.5550054 0.4874299), wk = 0.0015385 k( 589) = ( -0.5000000 0.5550054 0.6472429), wk = 0.0015385 k( 590) = ( -0.5000000 0.5550054 -1.2705139), wk = 0.0015385 k( 591) = ( -0.5000000 0.5550054 -1.1107008), wk = 0.0015385 k( 592) = ( -0.5000000 0.5550054 -0.9508878), wk = 0.0015385 k( 593) = ( -0.5000000 0.5550054 -0.7910747), wk = 0.0015385 k( 594) = ( -0.5000000 0.5550054 -0.6312616), wk = 0.0015385 k( 595) = ( -0.5000000 0.5550054 -0.4714486), wk = 0.0015385 k( 596) = ( -0.5000000 0.6735153 -0.2077570), wk = 0.0015385 k( 597) = ( -0.5000000 0.6735153 -0.0479439), wk = 0.0015385 k( 598) = ( -0.5000000 0.6735153 0.1118691), wk = 0.0015385 k( 599) = ( -0.5000000 0.6735153 0.2716822), wk = 0.0015385 k( 600) = ( -0.5000000 0.6735153 0.4314953), wk = 0.0015385 k( 601) = ( -0.5000000 0.6735153 0.5913084), wk = 0.0015385 k( 602) = ( -0.5000000 0.6735153 0.7511214), wk = 0.0015385 k( 603) = ( -0.5000000 0.6735153 -1.1666354), wk = 0.0015385 k( 604) = ( -0.5000000 0.6735153 -1.0068223), wk = 0.0015385 k( 605) = ( -0.5000000 0.6735153 -0.8470093), wk = 0.0015385 k( 606) = ( -0.5000000 0.6735153 -0.6871962), wk = 0.0015385 k( 607) = ( -0.5000000 0.6735153 -0.5273831), wk = 0.0015385 k( 608) = ( -0.5000000 0.6735153 -0.3675701), wk = 0.0015385 k( 609) = ( -0.5000000 0.7920252 -0.1038785), wk = 0.0015385 k( 610) = ( -0.5000000 0.7920252 0.0559346), wk = 0.0015385 k( 611) = ( -0.5000000 0.7920252 0.2157476), wk = 0.0015385 k( 612) = ( -0.5000000 0.7920252 0.3755607), wk = 0.0015385 k( 613) = ( -0.5000000 0.7920252 0.5353738), wk = 0.0015385 k( 614) = ( -0.5000000 0.7920252 0.6951868), wk = 0.0015385 k( 615) = ( -0.5000000 0.7920252 0.8549999), wk = 0.0015385 k( 616) = ( -0.5000000 0.7920252 -1.0627569), wk = 0.0015385 k( 617) = ( -0.5000000 0.7920252 -0.9029438), wk = 0.0015385 k( 618) = ( -0.5000000 0.7920252 -0.7431308), wk = 0.0015385 k( 619) = ( -0.5000000 0.7920252 -0.5833177), wk = 0.0015385 k( 620) = ( -0.5000000 0.7920252 -0.4235046), wk = 0.0015385 k( 621) = ( -0.5000000 0.7920252 -0.2636916), wk = 0.0015385 k( 622) = ( -0.5000000 -0.2745638 -1.0387849), wk = 0.0007692 k( 623) = ( -0.5000000 -0.2745638 -0.8789719), wk = 0.0015385 k( 624) = ( -0.5000000 -0.2745638 -0.7191588), wk = 0.0015385 k( 625) = ( -0.5000000 -0.2745638 -0.5593457), wk = 0.0015385 k( 626) = ( -0.5000000 -0.2745638 -0.3995327), wk = 0.0015385 k( 627) = ( -0.5000000 -0.2745638 -0.2397196), wk = 0.0015385 k( 628) = ( -0.5000000 -0.2745638 -0.0799065), wk = 0.0015385 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0007692 k( 2) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0015385 k( 3) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0015385 k( 4) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0015385 k( 5) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0015385 k( 6) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0015385 k( 7) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0015385 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0015385 k( 9) = ( 0.0000000 0.1000000 0.0769231), wk = 0.0015385 k( 10) = ( 0.0000000 0.1000000 0.1538462), wk = 0.0015385 k( 11) = ( 0.0000000 0.1000000 0.2307692), wk = 0.0015385 k( 12) = ( 0.0000000 0.1000000 0.3076923), wk = 0.0015385 k( 13) = ( 0.0000000 0.1000000 0.3846154), wk = 0.0015385 k( 14) = ( 0.0000000 0.1000000 0.4615385), wk = 0.0015385 k( 15) = ( 0.0000000 0.1000000 -0.4615385), wk = 0.0015385 k( 16) = ( 0.0000000 0.1000000 -0.3846154), wk = 0.0015385 k( 17) = ( 0.0000000 0.1000000 -0.3076923), wk = 0.0015385 k( 18) = ( 0.0000000 0.1000000 -0.2307692), wk = 0.0015385 k( 19) = ( 0.0000000 0.1000000 -0.1538462), wk = 0.0015385 k( 20) = ( 0.0000000 0.1000000 -0.0769231), wk = 0.0015385 k( 21) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0015385 k( 22) = ( 0.0000000 0.2000000 0.0769231), wk = 0.0015385 k( 23) = ( 0.0000000 0.2000000 0.1538462), wk = 0.0015385 k( 24) = ( 0.0000000 0.2000000 0.2307692), wk = 0.0015385 k( 25) = ( 0.0000000 0.2000000 0.3076923), wk = 0.0015385 k( 26) = ( 0.0000000 0.2000000 0.3846154), wk = 0.0015385 k( 27) = ( 0.0000000 0.2000000 0.4615385), wk = 0.0015385 k( 28) = ( 0.0000000 0.2000000 -0.4615385), wk = 0.0015385 k( 29) = ( 0.0000000 0.2000000 -0.3846154), wk = 0.0015385 k( 30) = ( 0.0000000 0.2000000 -0.3076923), wk = 0.0015385 k( 31) = ( 0.0000000 0.2000000 -0.2307692), wk = 0.0015385 k( 32) = ( 0.0000000 0.2000000 -0.1538462), wk = 0.0015385 k( 33) = ( 0.0000000 0.2000000 -0.0769231), wk = 0.0015385 k( 34) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0015385 k( 35) = ( 0.0000000 0.3000000 0.0769231), wk = 0.0015385 k( 36) = ( 0.0000000 0.3000000 0.1538462), wk = 0.0015385 k( 37) = ( 0.0000000 0.3000000 0.2307692), wk = 0.0015385 k( 38) = ( 0.0000000 0.3000000 0.3076923), wk = 0.0015385 k( 39) = ( 0.0000000 0.3000000 0.3846154), wk = 0.0015385 k( 40) = ( 0.0000000 0.3000000 0.4615385), wk = 0.0015385 k( 41) = ( 0.0000000 0.3000000 -0.4615385), wk = 0.0015385 k( 42) = ( 0.0000000 0.3000000 -0.3846154), wk = 0.0015385 k( 43) = ( 0.0000000 0.3000000 -0.3076923), wk = 0.0015385 k( 44) = ( 0.0000000 0.3000000 -0.2307692), wk = 0.0015385 k( 45) = ( 0.0000000 0.3000000 -0.1538462), wk = 0.0015385 k( 46) = ( 0.0000000 0.3000000 -0.0769231), wk = 0.0015385 k( 47) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0015385 k( 48) = ( 0.0000000 0.4000000 0.0769231), wk = 0.0015385 k( 49) = ( 0.0000000 0.4000000 0.1538462), wk = 0.0015385 k( 50) = ( 0.0000000 0.4000000 0.2307692), wk = 0.0015385 k( 51) = ( 0.0000000 0.4000000 0.3076923), wk = 0.0015385 k( 52) = ( 0.0000000 0.4000000 0.3846154), wk = 0.0015385 k( 53) = ( 0.0000000 0.4000000 0.4615385), wk = 0.0015385 k( 54) = ( 0.0000000 0.4000000 -0.4615385), wk = 0.0015385 k( 55) = ( 0.0000000 0.4000000 -0.3846154), wk = 0.0015385 k( 56) = ( 0.0000000 0.4000000 -0.3076923), wk = 0.0015385 k( 57) = ( 0.0000000 0.4000000 -0.2307692), wk = 0.0015385 k( 58) = ( 0.0000000 0.4000000 -0.1538462), wk = 0.0015385 k( 59) = ( 0.0000000 0.4000000 -0.0769231), wk = 0.0015385 k( 60) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0007692 k( 61) = ( 0.0000000 -0.5000000 0.0769231), wk = 0.0015385 k( 62) = ( 0.0000000 -0.5000000 0.1538462), wk = 0.0015385 k( 63) = ( 0.0000000 -0.5000000 0.2307692), wk = 0.0015385 k( 64) = ( 0.0000000 -0.5000000 0.3076923), wk = 0.0015385 k( 65) = ( 0.0000000 -0.5000000 0.3846154), wk = 0.0015385 k( 66) = ( 0.0000000 -0.5000000 0.4615385), wk = 0.0015385 k( 67) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0015385 k( 68) = ( 0.1000000 0.0000000 0.0769231), wk = 0.0015385 k( 69) = ( 0.1000000 0.0000000 0.1538462), wk = 0.0015385 k( 70) = ( 0.1000000 0.0000000 0.2307692), wk = 0.0015385 k( 71) = ( 0.1000000 0.0000000 0.3076923), wk = 0.0015385 k( 72) = ( 0.1000000 0.0000000 0.3846154), wk = 0.0015385 k( 73) = ( 0.1000000 0.0000000 0.4615385), wk = 0.0015385 k( 74) = ( 0.1000000 0.0000000 -0.4615385), wk = 0.0015385 k( 75) = ( 0.1000000 0.0000000 -0.3846154), wk = 0.0015385 k( 76) = ( 0.1000000 0.0000000 -0.3076923), wk = 0.0015385 k( 77) = ( 0.1000000 0.0000000 -0.2307692), wk = 0.0015385 k( 78) = ( 0.1000000 0.0000000 -0.1538462), wk = 0.0015385 k( 79) = ( 0.1000000 0.0000000 -0.0769231), wk = 0.0015385 k( 80) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0015385 k( 81) = ( 0.1000000 0.1000000 0.0769231), wk = 0.0015385 k( 82) = ( 0.1000000 0.1000000 0.1538462), wk = 0.0015385 k( 83) = ( 0.1000000 0.1000000 0.2307692), wk = 0.0015385 k( 84) = ( 0.1000000 0.1000000 0.3076923), wk = 0.0015385 k( 85) = ( 0.1000000 0.1000000 0.3846154), wk = 0.0015385 k( 86) = ( 0.1000000 0.1000000 0.4615385), wk = 0.0015385 k( 87) = ( 0.1000000 0.1000000 -0.4615385), wk = 0.0015385 k( 88) = ( 0.1000000 0.1000000 -0.3846154), wk = 0.0015385 k( 89) = ( 0.1000000 0.1000000 -0.3076923), wk = 0.0015385 k( 90) = ( 0.1000000 0.1000000 -0.2307692), wk = 0.0015385 k( 91) = ( 0.1000000 0.1000000 -0.1538462), wk = 0.0015385 k( 92) = ( 0.1000000 0.1000000 -0.0769231), wk = 0.0015385 k( 93) = ( 0.1000000 0.2000000 0.0000000), wk = 0.0015385 k( 94) = ( 0.1000000 0.2000000 0.0769231), wk = 0.0015385 k( 95) = ( 0.1000000 0.2000000 0.1538462), wk = 0.0015385 k( 96) = ( 0.1000000 0.2000000 0.2307692), wk = 0.0015385 k( 97) = ( 0.1000000 0.2000000 0.3076923), wk = 0.0015385 k( 98) = ( 0.1000000 0.2000000 0.3846154), wk = 0.0015385 k( 99) = ( 0.1000000 0.2000000 0.4615385), wk = 0.0015385 k( 100) = ( 0.1000000 0.2000000 -0.4615385), wk = 0.0015385 k( 101) = ( 0.1000000 0.2000000 -0.3846154), wk = 0.0015385 k( 102) = ( 0.1000000 0.2000000 -0.3076923), wk = 0.0015385 k( 103) = ( 0.1000000 0.2000000 -0.2307692), wk = 0.0015385 k( 104) = ( 0.1000000 0.2000000 -0.1538462), wk = 0.0015385 k( 105) = ( 0.1000000 0.2000000 -0.0769231), wk = 0.0015385 k( 106) = ( 0.1000000 0.3000000 0.0000000), wk = 0.0015385 k( 107) = ( 0.1000000 0.3000000 0.0769231), wk = 0.0015385 k( 108) = ( 0.1000000 0.3000000 0.1538462), wk = 0.0015385 k( 109) = ( 0.1000000 0.3000000 0.2307692), wk = 0.0015385 k( 110) = ( 0.1000000 0.3000000 0.3076923), wk = 0.0015385 k( 111) = ( 0.1000000 0.3000000 0.3846154), wk = 0.0015385 k( 112) = ( 0.1000000 0.3000000 0.4615385), wk = 0.0015385 k( 113) = ( 0.1000000 0.3000000 -0.4615385), wk = 0.0015385 k( 114) = ( 0.1000000 0.3000000 -0.3846154), wk = 0.0015385 k( 115) = ( 0.1000000 0.3000000 -0.3076923), wk = 0.0015385 k( 116) = ( 0.1000000 0.3000000 -0.2307692), wk = 0.0015385 k( 117) = ( 0.1000000 0.3000000 -0.1538462), wk = 0.0015385 k( 118) = ( 0.1000000 0.3000000 -0.0769231), wk = 0.0015385 k( 119) = ( 0.1000000 0.4000000 0.0000000), wk = 0.0015385 k( 120) = ( 0.1000000 0.4000000 0.0769231), wk = 0.0015385 k( 121) = ( 0.1000000 0.4000000 0.1538462), wk = 0.0015385 k( 122) = ( 0.1000000 0.4000000 0.2307692), wk = 0.0015385 k( 123) = ( 0.1000000 0.4000000 0.3076923), wk = 0.0015385 k( 124) = ( 0.1000000 0.4000000 0.3846154), wk = 0.0015385 k( 125) = ( 0.1000000 0.4000000 0.4615385), wk = 0.0015385 k( 126) = ( 0.1000000 0.4000000 -0.4615385), wk = 0.0015385 k( 127) = ( 0.1000000 0.4000000 -0.3846154), wk = 0.0015385 k( 128) = ( 0.1000000 0.4000000 -0.3076923), wk = 0.0015385 k( 129) = ( 0.1000000 0.4000000 -0.2307692), wk = 0.0015385 k( 130) = ( 0.1000000 0.4000000 -0.1538462), wk = 0.0015385 k( 131) = ( 0.1000000 0.4000000 -0.0769231), wk = 0.0015385 k( 132) = ( 0.1000000 -0.5000000 -0.0000000), wk = 0.0015385 k( 133) = ( 0.1000000 -0.5000000 0.0769231), wk = 0.0015385 k( 134) = ( 0.1000000 -0.5000000 0.1538462), wk = 0.0015385 k( 135) = ( 0.1000000 -0.5000000 0.2307692), wk = 0.0015385 k( 136) = ( 0.1000000 -0.5000000 0.3076923), wk = 0.0015385 k( 137) = ( 0.1000000 -0.5000000 0.3846154), wk = 0.0015385 k( 138) = ( 0.1000000 -0.5000000 0.4615385), wk = 0.0015385 k( 139) = ( 0.1000000 -0.5000000 -0.4615385), wk = 0.0015385 k( 140) = ( 0.1000000 -0.5000000 -0.3846154), wk = 0.0015385 k( 141) = ( 0.1000000 -0.5000000 -0.3076923), wk = 0.0015385 k( 142) = ( 0.1000000 -0.5000000 -0.2307692), wk = 0.0015385 k( 143) = ( 0.1000000 -0.5000000 -0.1538462), wk = 0.0015385 k( 144) = ( 0.1000000 -0.5000000 -0.0769231), wk = 0.0015385 k( 145) = ( 0.1000000 -0.4000000 -0.0000000), wk = 0.0015385 k( 146) = ( 0.1000000 -0.4000000 0.0769231), wk = 0.0015385 k( 147) = ( 0.1000000 -0.4000000 0.1538462), wk = 0.0015385 k( 148) = ( 0.1000000 -0.4000000 0.2307692), wk = 0.0015385 k( 149) = ( 0.1000000 -0.4000000 0.3076923), wk = 0.0015385 k( 150) = ( 0.1000000 -0.4000000 0.3846154), wk = 0.0015385 k( 151) = ( 0.1000000 -0.4000000 0.4615385), wk = 0.0015385 k( 152) = ( 0.1000000 -0.4000000 -0.4615385), wk = 0.0015385 k( 153) = ( 0.1000000 -0.4000000 -0.3846154), wk = 0.0015385 k( 154) = ( 0.1000000 -0.4000000 -0.3076923), wk = 0.0015385 k( 155) = ( 0.1000000 -0.4000000 -0.2307692), wk = 0.0015385 k( 156) = ( 0.1000000 -0.4000000 -0.1538462), wk = 0.0015385 k( 157) = ( 0.1000000 -0.4000000 -0.0769231), wk = 0.0015385 k( 158) = ( 0.1000000 -0.3000000 0.0000000), wk = 0.0015385 k( 159) = ( 0.1000000 -0.3000000 0.0769231), wk = 0.0015385 k( 160) = ( 0.1000000 -0.3000000 0.1538462), wk = 0.0015385 k( 161) = ( 0.1000000 -0.3000000 0.2307692), wk = 0.0015385 k( 162) = ( 0.1000000 -0.3000000 0.3076923), wk = 0.0015385 k( 163) = ( 0.1000000 -0.3000000 0.3846154), wk = 0.0015385 k( 164) = ( 0.1000000 -0.3000000 0.4615385), wk = 0.0015385 k( 165) = ( 0.1000000 -0.3000000 -0.4615385), wk = 0.0015385 k( 166) = ( 0.1000000 -0.3000000 -0.3846154), wk = 0.0015385 k( 167) = ( 0.1000000 -0.3000000 -0.3076923), wk = 0.0015385 k( 168) = ( 0.1000000 -0.3000000 -0.2307692), wk = 0.0015385 k( 169) = ( 0.1000000 -0.3000000 -0.1538462), wk = 0.0015385 k( 170) = ( 0.1000000 -0.3000000 -0.0769231), wk = 0.0015385 k( 171) = ( 0.1000000 -0.2000000 0.0000000), wk = 0.0015385 k( 172) = ( 0.1000000 -0.2000000 0.0769231), wk = 0.0015385 k( 173) = ( 0.1000000 -0.2000000 0.1538462), wk = 0.0015385 k( 174) = ( 0.1000000 -0.2000000 0.2307692), wk = 0.0015385 k( 175) = ( 0.1000000 -0.2000000 0.3076923), wk = 0.0015385 k( 176) = ( 0.1000000 -0.2000000 0.3846154), wk = 0.0015385 k( 177) = ( 0.1000000 -0.2000000 0.4615385), wk = 0.0015385 k( 178) = ( 0.1000000 -0.2000000 -0.4615385), wk = 0.0015385 k( 179) = ( 0.1000000 -0.2000000 -0.3846154), wk = 0.0015385 k( 180) = ( 0.1000000 -0.2000000 -0.3076923), wk = 0.0015385 k( 181) = ( 0.1000000 -0.2000000 -0.2307692), wk = 0.0015385 k( 182) = ( 0.1000000 -0.2000000 -0.1538462), wk = 0.0015385 k( 183) = ( 0.1000000 -0.2000000 -0.0769231), wk = 0.0015385 k( 184) = ( 0.1000000 -0.1000000 -0.0000000), wk = 0.0015385 k( 185) = ( 0.1000000 -0.1000000 0.0769231), wk = 0.0030769 k( 186) = ( 0.1000000 -0.1000000 0.1538462), wk = 0.0030769 k( 187) = ( 0.1000000 -0.1000000 0.2307692), wk = 0.0030769 k( 188) = ( 0.1000000 -0.1000000 0.3076923), wk = 0.0030769 k( 189) = ( 0.1000000 -0.1000000 0.3846154), wk = 0.0030769 k( 190) = ( 0.1000000 -0.1000000 0.4615385), wk = 0.0030769 k( 191) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0015385 k( 192) = ( 0.2000000 0.0000000 0.0769231), wk = 0.0015385 k( 193) = ( 0.2000000 0.0000000 0.1538462), wk = 0.0015385 k( 194) = ( 0.2000000 0.0000000 0.2307692), wk = 0.0015385 k( 195) = ( 0.2000000 0.0000000 0.3076923), wk = 0.0015385 k( 196) = ( 0.2000000 0.0000000 0.3846154), wk = 0.0015385 k( 197) = ( 0.2000000 0.0000000 0.4615385), wk = 0.0015385 k( 198) = ( 0.2000000 0.0000000 -0.4615385), wk = 0.0015385 k( 199) = ( 0.2000000 0.0000000 -0.3846154), wk = 0.0015385 k( 200) = ( 0.2000000 0.0000000 -0.3076923), wk = 0.0015385 k( 201) = ( 0.2000000 0.0000000 -0.2307692), wk = 0.0015385 k( 202) = ( 0.2000000 0.0000000 -0.1538462), wk = 0.0015385 k( 203) = ( 0.2000000 0.0000000 -0.0769231), wk = 0.0015385 k( 204) = ( 0.2000000 0.1000000 0.0000000), wk = 0.0015385 k( 205) = ( 0.2000000 0.1000000 0.0769231), wk = 0.0015385 k( 206) = ( 0.2000000 0.1000000 0.1538462), wk = 0.0015385 k( 207) = ( 0.2000000 0.1000000 0.2307692), wk = 0.0015385 k( 208) = ( 0.2000000 0.1000000 0.3076923), wk = 0.0015385 k( 209) = ( 0.2000000 0.1000000 0.3846154), wk = 0.0015385 k( 210) = ( 0.2000000 0.1000000 0.4615385), wk = 0.0015385 k( 211) = ( 0.2000000 0.1000000 -0.4615385), wk = 0.0015385 k( 212) = ( 0.2000000 0.1000000 -0.3846154), wk = 0.0015385 k( 213) = ( 0.2000000 0.1000000 -0.3076923), wk = 0.0015385 k( 214) = ( 0.2000000 0.1000000 -0.2307692), wk = 0.0015385 k( 215) = ( 0.2000000 0.1000000 -0.1538462), wk = 0.0015385 k( 216) = ( 0.2000000 0.1000000 -0.0769231), wk = 0.0015385 k( 217) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0015385 k( 218) = ( 0.2000000 0.2000000 0.0769231), wk = 0.0015385 k( 219) = ( 0.2000000 0.2000000 0.1538462), wk = 0.0015385 k( 220) = ( 0.2000000 0.2000000 0.2307692), wk = 0.0015385 k( 221) = ( 0.2000000 0.2000000 0.3076923), wk = 0.0015385 k( 222) = ( 0.2000000 0.2000000 0.3846154), wk = 0.0015385 k( 223) = ( 0.2000000 0.2000000 0.4615385), wk = 0.0015385 k( 224) = ( 0.2000000 0.2000000 -0.4615385), wk = 0.0015385 k( 225) = ( 0.2000000 0.2000000 -0.3846154), wk = 0.0015385 k( 226) = ( 0.2000000 0.2000000 -0.3076923), wk = 0.0015385 k( 227) = ( 0.2000000 0.2000000 -0.2307692), wk = 0.0015385 k( 228) = ( 0.2000000 0.2000000 -0.1538462), wk = 0.0015385 k( 229) = ( 0.2000000 0.2000000 -0.0769231), wk = 0.0015385 k( 230) = ( 0.2000000 0.3000000 0.0000000), wk = 0.0015385 k( 231) = ( 0.2000000 0.3000000 0.0769231), wk = 0.0015385 k( 232) = ( 0.2000000 0.3000000 0.1538462), wk = 0.0015385 k( 233) = ( 0.2000000 0.3000000 0.2307692), wk = 0.0015385 k( 234) = ( 0.2000000 0.3000000 0.3076923), wk = 0.0015385 k( 235) = ( 0.2000000 0.3000000 0.3846154), wk = 0.0015385 k( 236) = ( 0.2000000 0.3000000 0.4615385), wk = 0.0015385 k( 237) = ( 0.2000000 0.3000000 -0.4615385), wk = 0.0015385 k( 238) = ( 0.2000000 0.3000000 -0.3846154), wk = 0.0015385 k( 239) = ( 0.2000000 0.3000000 -0.3076923), wk = 0.0015385 k( 240) = ( 0.2000000 0.3000000 -0.2307692), wk = 0.0015385 k( 241) = ( 0.2000000 0.3000000 -0.1538462), wk = 0.0015385 k( 242) = ( 0.2000000 0.3000000 -0.0769231), wk = 0.0015385 k( 243) = ( 0.2000000 0.4000000 0.0000000), wk = 0.0015385 k( 244) = ( 0.2000000 0.4000000 0.0769231), wk = 0.0015385 k( 245) = ( 0.2000000 0.4000000 0.1538462), wk = 0.0015385 k( 246) = ( 0.2000000 0.4000000 0.2307692), wk = 0.0015385 k( 247) = ( 0.2000000 0.4000000 0.3076923), wk = 0.0015385 k( 248) = ( 0.2000000 0.4000000 0.3846154), wk = 0.0015385 k( 249) = ( 0.2000000 0.4000000 0.4615385), wk = 0.0015385 k( 250) = ( 0.2000000 0.4000000 -0.4615385), wk = 0.0015385 k( 251) = ( 0.2000000 0.4000000 -0.3846154), wk = 0.0015385 k( 252) = ( 0.2000000 0.4000000 -0.3076923), wk = 0.0015385 k( 253) = ( 0.2000000 0.4000000 -0.2307692), wk = 0.0015385 k( 254) = ( 0.2000000 0.4000000 -0.1538462), wk = 0.0015385 k( 255) = ( 0.2000000 0.4000000 -0.0769231), wk = 0.0015385 k( 256) = ( 0.2000000 -0.5000000 0.0000000), wk = 0.0015385 k( 257) = ( 0.2000000 -0.5000000 0.0769231), wk = 0.0015385 k( 258) = ( 0.2000000 -0.5000000 0.1538462), wk = 0.0015385 k( 259) = ( 0.2000000 -0.5000000 0.2307692), wk = 0.0015385 k( 260) = ( 0.2000000 -0.5000000 0.3076923), wk = 0.0015385 k( 261) = ( 0.2000000 -0.5000000 0.3846154), wk = 0.0015385 k( 262) = ( 0.2000000 -0.5000000 0.4615385), wk = 0.0015385 k( 263) = ( 0.2000000 -0.5000000 -0.4615385), wk = 0.0015385 k( 264) = ( 0.2000000 -0.5000000 -0.3846154), wk = 0.0015385 k( 265) = ( 0.2000000 -0.5000000 -0.3076923), wk = 0.0015385 k( 266) = ( 0.2000000 -0.5000000 -0.2307692), wk = 0.0015385 k( 267) = ( 0.2000000 -0.5000000 -0.1538462), wk = 0.0015385 k( 268) = ( 0.2000000 -0.5000000 -0.0769231), wk = 0.0015385 k( 269) = ( 0.2000000 -0.4000000 -0.0000000), wk = 0.0015385 k( 270) = ( 0.2000000 -0.4000000 0.0769231), wk = 0.0015385 k( 271) = ( 0.2000000 -0.4000000 0.1538462), wk = 0.0015385 k( 272) = ( 0.2000000 -0.4000000 0.2307692), wk = 0.0015385 k( 273) = ( 0.2000000 -0.4000000 0.3076923), wk = 0.0015385 k( 274) = ( 0.2000000 -0.4000000 0.3846154), wk = 0.0015385 k( 275) = ( 0.2000000 -0.4000000 0.4615385), wk = 0.0015385 k( 276) = ( 0.2000000 -0.4000000 -0.4615385), wk = 0.0015385 k( 277) = ( 0.2000000 -0.4000000 -0.3846154), wk = 0.0015385 k( 278) = ( 0.2000000 -0.4000000 -0.3076923), wk = 0.0015385 k( 279) = ( 0.2000000 -0.4000000 -0.2307692), wk = 0.0015385 k( 280) = ( 0.2000000 -0.4000000 -0.1538462), wk = 0.0015385 k( 281) = ( 0.2000000 -0.4000000 -0.0769231), wk = 0.0015385 k( 282) = ( 0.2000000 -0.3000000 -0.0000000), wk = 0.0015385 k( 283) = ( 0.2000000 -0.3000000 0.0769231), wk = 0.0015385 k( 284) = ( 0.2000000 -0.3000000 0.1538462), wk = 0.0015385 k( 285) = ( 0.2000000 -0.3000000 0.2307692), wk = 0.0015385 k( 286) = ( 0.2000000 -0.3000000 0.3076923), wk = 0.0015385 k( 287) = ( 0.2000000 -0.3000000 0.3846154), wk = 0.0015385 k( 288) = ( 0.2000000 -0.3000000 0.4615385), wk = 0.0015385 k( 289) = ( 0.2000000 -0.3000000 -0.4615385), wk = 0.0015385 k( 290) = ( 0.2000000 -0.3000000 -0.3846154), wk = 0.0015385 k( 291) = ( 0.2000000 -0.3000000 -0.3076923), wk = 0.0015385 k( 292) = ( 0.2000000 -0.3000000 -0.2307692), wk = 0.0015385 k( 293) = ( 0.2000000 -0.3000000 -0.1538462), wk = 0.0015385 k( 294) = ( 0.2000000 -0.3000000 -0.0769231), wk = 0.0015385 k( 295) = ( 0.2000000 -0.2000000 -0.0000000), wk = 0.0015385 k( 296) = ( 0.2000000 -0.2000000 0.0769231), wk = 0.0030769 k( 297) = ( 0.2000000 -0.2000000 0.1538462), wk = 0.0030769 k( 298) = ( 0.2000000 -0.2000000 0.2307692), wk = 0.0030769 k( 299) = ( 0.2000000 -0.2000000 0.3076923), wk = 0.0030769 k( 300) = ( 0.2000000 -0.2000000 0.3846154), wk = 0.0030769 k( 301) = ( 0.2000000 -0.2000000 0.4615385), wk = 0.0030769 k( 302) = ( 0.2000000 -0.1000000 -0.0000000), wk = 0.0015385 k( 303) = ( 0.2000000 -0.1000000 0.0769231), wk = 0.0015385 k( 304) = ( 0.2000000 -0.1000000 0.1538462), wk = 0.0015385 k( 305) = ( 0.2000000 -0.1000000 0.2307692), wk = 0.0015385 k( 306) = ( 0.2000000 -0.1000000 0.3076923), wk = 0.0015385 k( 307) = ( 0.2000000 -0.1000000 0.3846154), wk = 0.0015385 k( 308) = ( 0.2000000 -0.1000000 0.4615385), wk = 0.0015385 k( 309) = ( 0.2000000 -0.1000000 -0.4615385), wk = 0.0015385 k( 310) = ( 0.2000000 -0.1000000 -0.3846154), wk = 0.0015385 k( 311) = ( 0.2000000 -0.1000000 -0.3076923), wk = 0.0015385 k( 312) = ( 0.2000000 -0.1000000 -0.2307692), wk = 0.0015385 k( 313) = ( 0.2000000 -0.1000000 -0.1538462), wk = 0.0015385 k( 314) = ( 0.2000000 -0.1000000 -0.0769231), wk = 0.0015385 k( 315) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0015385 k( 316) = ( 0.3000000 0.0000000 0.0769231), wk = 0.0015385 k( 317) = ( 0.3000000 0.0000000 0.1538462), wk = 0.0015385 k( 318) = ( 0.3000000 0.0000000 0.2307692), wk = 0.0015385 k( 319) = ( 0.3000000 0.0000000 0.3076923), wk = 0.0015385 k( 320) = ( 0.3000000 0.0000000 0.3846154), wk = 0.0015385 k( 321) = ( 0.3000000 0.0000000 0.4615385), wk = 0.0015385 k( 322) = ( 0.3000000 0.0000000 -0.4615385), wk = 0.0015385 k( 323) = ( 0.3000000 0.0000000 -0.3846154), wk = 0.0015385 k( 324) = ( 0.3000000 0.0000000 -0.3076923), wk = 0.0015385 k( 325) = ( 0.3000000 0.0000000 -0.2307692), wk = 0.0015385 k( 326) = ( 0.3000000 0.0000000 -0.1538462), wk = 0.0015385 k( 327) = ( 0.3000000 0.0000000 -0.0769231), wk = 0.0015385 k( 328) = ( 0.3000000 0.1000000 0.0000000), wk = 0.0015385 k( 329) = ( 0.3000000 0.1000000 0.0769231), wk = 0.0015385 k( 330) = ( 0.3000000 0.1000000 0.1538462), wk = 0.0015385 k( 331) = ( 0.3000000 0.1000000 0.2307692), wk = 0.0015385 k( 332) = ( 0.3000000 0.1000000 0.3076923), wk = 0.0015385 k( 333) = ( 0.3000000 0.1000000 0.3846154), wk = 0.0015385 k( 334) = ( 0.3000000 0.1000000 0.4615385), wk = 0.0015385 k( 335) = ( 0.3000000 0.1000000 -0.4615385), wk = 0.0015385 k( 336) = ( 0.3000000 0.1000000 -0.3846154), wk = 0.0015385 k( 337) = ( 0.3000000 0.1000000 -0.3076923), wk = 0.0015385 k( 338) = ( 0.3000000 0.1000000 -0.2307692), wk = 0.0015385 k( 339) = ( 0.3000000 0.1000000 -0.1538462), wk = 0.0015385 k( 340) = ( 0.3000000 0.1000000 -0.0769231), wk = 0.0015385 k( 341) = ( 0.3000000 0.2000000 0.0000000), wk = 0.0015385 k( 342) = ( 0.3000000 0.2000000 0.0769231), wk = 0.0015385 k( 343) = ( 0.3000000 0.2000000 0.1538462), wk = 0.0015385 k( 344) = ( 0.3000000 0.2000000 0.2307692), wk = 0.0015385 k( 345) = ( 0.3000000 0.2000000 0.3076923), wk = 0.0015385 k( 346) = ( 0.3000000 0.2000000 0.3846154), wk = 0.0015385 k( 347) = ( 0.3000000 0.2000000 0.4615385), wk = 0.0015385 k( 348) = ( 0.3000000 0.2000000 -0.4615385), wk = 0.0015385 k( 349) = ( 0.3000000 0.2000000 -0.3846154), wk = 0.0015385 k( 350) = ( 0.3000000 0.2000000 -0.3076923), wk = 0.0015385 k( 351) = ( 0.3000000 0.2000000 -0.2307692), wk = 0.0015385 k( 352) = ( 0.3000000 0.2000000 -0.1538462), wk = 0.0015385 k( 353) = ( 0.3000000 0.2000000 -0.0769231), wk = 0.0015385 k( 354) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0015385 k( 355) = ( 0.3000000 0.3000000 0.0769231), wk = 0.0015385 k( 356) = ( 0.3000000 0.3000000 0.1538462), wk = 0.0015385 k( 357) = ( 0.3000000 0.3000000 0.2307692), wk = 0.0015385 k( 358) = ( 0.3000000 0.3000000 0.3076923), wk = 0.0015385 k( 359) = ( 0.3000000 0.3000000 0.3846154), wk = 0.0015385 k( 360) = ( 0.3000000 0.3000000 0.4615385), wk = 0.0015385 k( 361) = ( 0.3000000 0.3000000 -0.4615385), wk = 0.0015385 k( 362) = ( 0.3000000 0.3000000 -0.3846154), wk = 0.0015385 k( 363) = ( 0.3000000 0.3000000 -0.3076923), wk = 0.0015385 k( 364) = ( 0.3000000 0.3000000 -0.2307692), wk = 0.0015385 k( 365) = ( 0.3000000 0.3000000 -0.1538462), wk = 0.0015385 k( 366) = ( 0.3000000 0.3000000 -0.0769231), wk = 0.0015385 k( 367) = ( 0.3000000 0.4000000 -0.0000000), wk = 0.0015385 k( 368) = ( 0.3000000 0.4000000 0.0769231), wk = 0.0015385 k( 369) = ( 0.3000000 0.4000000 0.1538462), wk = 0.0015385 k( 370) = ( 0.3000000 0.4000000 0.2307692), wk = 0.0015385 k( 371) = ( 0.3000000 0.4000000 0.3076923), wk = 0.0015385 k( 372) = ( 0.3000000 0.4000000 0.3846154), wk = 0.0015385 k( 373) = ( 0.3000000 0.4000000 0.4615385), wk = 0.0015385 k( 374) = ( 0.3000000 0.4000000 -0.4615385), wk = 0.0015385 k( 375) = ( 0.3000000 0.4000000 -0.3846154), wk = 0.0015385 k( 376) = ( 0.3000000 0.4000000 -0.3076923), wk = 0.0015385 k( 377) = ( 0.3000000 0.4000000 -0.2307692), wk = 0.0015385 k( 378) = ( 0.3000000 0.4000000 -0.1538462), wk = 0.0015385 k( 379) = ( 0.3000000 0.4000000 -0.0769231), wk = 0.0015385 k( 380) = ( 0.3000000 -0.5000000 0.0000000), wk = 0.0015385 k( 381) = ( 0.3000000 -0.5000000 0.0769231), wk = 0.0015385 k( 382) = ( 0.3000000 -0.5000000 0.1538462), wk = 0.0015385 k( 383) = ( 0.3000000 -0.5000000 0.2307692), wk = 0.0015385 k( 384) = ( 0.3000000 -0.5000000 0.3076923), wk = 0.0015385 k( 385) = ( 0.3000000 -0.5000000 0.3846154), wk = 0.0015385 k( 386) = ( 0.3000000 -0.5000000 0.4615385), wk = 0.0015385 k( 387) = ( 0.3000000 -0.5000000 -0.4615385), wk = 0.0015385 k( 388) = ( 0.3000000 -0.5000000 -0.3846154), wk = 0.0015385 k( 389) = ( 0.3000000 -0.5000000 -0.3076923), wk = 0.0015385 k( 390) = ( 0.3000000 -0.5000000 -0.2307692), wk = 0.0015385 k( 391) = ( 0.3000000 -0.5000000 -0.1538462), wk = 0.0015385 k( 392) = ( 0.3000000 -0.5000000 -0.0769231), wk = 0.0015385 k( 393) = ( 0.3000000 -0.4000000 -0.0000000), wk = 0.0015385 k( 394) = ( 0.3000000 -0.4000000 0.0769231), wk = 0.0015385 k( 395) = ( 0.3000000 -0.4000000 0.1538462), wk = 0.0015385 k( 396) = ( 0.3000000 -0.4000000 0.2307692), wk = 0.0015385 k( 397) = ( 0.3000000 -0.4000000 0.3076923), wk = 0.0015385 k( 398) = ( 0.3000000 -0.4000000 0.3846154), wk = 0.0015385 k( 399) = ( 0.3000000 -0.4000000 0.4615385), wk = 0.0015385 k( 400) = ( 0.3000000 -0.4000000 -0.4615385), wk = 0.0015385 k( 401) = ( 0.3000000 -0.4000000 -0.3846154), wk = 0.0015385 k( 402) = ( 0.3000000 -0.4000000 -0.3076923), wk = 0.0015385 k( 403) = ( 0.3000000 -0.4000000 -0.2307692), wk = 0.0015385 k( 404) = ( 0.3000000 -0.4000000 -0.1538462), wk = 0.0015385 k( 405) = ( 0.3000000 -0.4000000 -0.0769231), wk = 0.0015385 k( 406) = ( 0.3000000 -0.3000000 0.0000000), wk = 0.0015385 k( 407) = ( 0.3000000 -0.3000000 0.0769231), wk = 0.0030769 k( 408) = ( 0.3000000 -0.3000000 0.1538462), wk = 0.0030769 k( 409) = ( 0.3000000 -0.3000000 0.2307692), wk = 0.0030769 k( 410) = ( 0.3000000 -0.3000000 0.3076923), wk = 0.0030769 k( 411) = ( 0.3000000 -0.3000000 0.3846154), wk = 0.0030769 k( 412) = ( 0.3000000 -0.3000000 0.4615385), wk = 0.0030769 k( 413) = ( 0.3000000 -0.2000000 -0.0000000), wk = 0.0015385 k( 414) = ( 0.3000000 -0.2000000 0.0769231), wk = 0.0015385 k( 415) = ( 0.3000000 -0.2000000 0.1538462), wk = 0.0015385 k( 416) = ( 0.3000000 -0.2000000 0.2307692), wk = 0.0015385 k( 417) = ( 0.3000000 -0.2000000 0.3076923), wk = 0.0015385 k( 418) = ( 0.3000000 -0.2000000 0.3846154), wk = 0.0015385 k( 419) = ( 0.3000000 -0.2000000 0.4615385), wk = 0.0015385 k( 420) = ( 0.3000000 -0.2000000 -0.4615385), wk = 0.0015385 k( 421) = ( 0.3000000 -0.2000000 -0.3846154), wk = 0.0015385 k( 422) = ( 0.3000000 -0.2000000 -0.3076923), wk = 0.0015385 k( 423) = ( 0.3000000 -0.2000000 -0.2307692), wk = 0.0015385 k( 424) = ( 0.3000000 -0.2000000 -0.1538462), wk = 0.0015385 k( 425) = ( 0.3000000 -0.2000000 -0.0769231), wk = 0.0015385 k( 426) = ( 0.3000000 -0.1000000 0.0000000), wk = 0.0015385 k( 427) = ( 0.3000000 -0.1000000 0.0769231), wk = 0.0015385 k( 428) = ( 0.3000000 -0.1000000 0.1538462), wk = 0.0015385 k( 429) = ( 0.3000000 -0.1000000 0.2307692), wk = 0.0015385 k( 430) = ( 0.3000000 -0.1000000 0.3076923), wk = 0.0015385 k( 431) = ( 0.3000000 -0.1000000 0.3846154), wk = 0.0015385 k( 432) = ( 0.3000000 -0.1000000 0.4615385), wk = 0.0015385 k( 433) = ( 0.3000000 -0.1000000 -0.4615385), wk = 0.0015385 k( 434) = ( 0.3000000 -0.1000000 -0.3846154), wk = 0.0015385 k( 435) = ( 0.3000000 -0.1000000 -0.3076923), wk = 0.0015385 k( 436) = ( 0.3000000 -0.1000000 -0.2307692), wk = 0.0015385 k( 437) = ( 0.3000000 -0.1000000 -0.1538462), wk = 0.0015385 k( 438) = ( 0.3000000 -0.1000000 -0.0769231), wk = 0.0015385 k( 439) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0015385 k( 440) = ( 0.4000000 0.0000000 0.0769231), wk = 0.0015385 k( 441) = ( 0.4000000 0.0000000 0.1538462), wk = 0.0015385 k( 442) = ( 0.4000000 0.0000000 0.2307692), wk = 0.0015385 k( 443) = ( 0.4000000 0.0000000 0.3076923), wk = 0.0015385 k( 444) = ( 0.4000000 0.0000000 0.3846154), wk = 0.0015385 k( 445) = ( 0.4000000 0.0000000 0.4615385), wk = 0.0015385 k( 446) = ( 0.4000000 0.0000000 -0.4615385), wk = 0.0015385 k( 447) = ( 0.4000000 0.0000000 -0.3846154), wk = 0.0015385 k( 448) = ( 0.4000000 0.0000000 -0.3076923), wk = 0.0015385 k( 449) = ( 0.4000000 0.0000000 -0.2307692), wk = 0.0015385 k( 450) = ( 0.4000000 0.0000000 -0.1538462), wk = 0.0015385 k( 451) = ( 0.4000000 0.0000000 -0.0769231), wk = 0.0015385 k( 452) = ( 0.4000000 0.1000000 0.0000000), wk = 0.0015385 k( 453) = ( 0.4000000 0.1000000 0.0769231), wk = 0.0015385 k( 454) = ( 0.4000000 0.1000000 0.1538462), wk = 0.0015385 k( 455) = ( 0.4000000 0.1000000 0.2307692), wk = 0.0015385 k( 456) = ( 0.4000000 0.1000000 0.3076923), wk = 0.0015385 k( 457) = ( 0.4000000 0.1000000 0.3846154), wk = 0.0015385 k( 458) = ( 0.4000000 0.1000000 0.4615385), wk = 0.0015385 k( 459) = ( 0.4000000 0.1000000 -0.4615385), wk = 0.0015385 k( 460) = ( 0.4000000 0.1000000 -0.3846154), wk = 0.0015385 k( 461) = ( 0.4000000 0.1000000 -0.3076923), wk = 0.0015385 k( 462) = ( 0.4000000 0.1000000 -0.2307692), wk = 0.0015385 k( 463) = ( 0.4000000 0.1000000 -0.1538462), wk = 0.0015385 k( 464) = ( 0.4000000 0.1000000 -0.0769231), wk = 0.0015385 k( 465) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0015385 k( 466) = ( 0.4000000 0.2000000 0.0769231), wk = 0.0015385 k( 467) = ( 0.4000000 0.2000000 0.1538462), wk = 0.0015385 k( 468) = ( 0.4000000 0.2000000 0.2307692), wk = 0.0015385 k( 469) = ( 0.4000000 0.2000000 0.3076923), wk = 0.0015385 k( 470) = ( 0.4000000 0.2000000 0.3846154), wk = 0.0015385 k( 471) = ( 0.4000000 0.2000000 0.4615385), wk = 0.0015385 k( 472) = ( 0.4000000 0.2000000 -0.4615385), wk = 0.0015385 k( 473) = ( 0.4000000 0.2000000 -0.3846154), wk = 0.0015385 k( 474) = ( 0.4000000 0.2000000 -0.3076923), wk = 0.0015385 k( 475) = ( 0.4000000 0.2000000 -0.2307692), wk = 0.0015385 k( 476) = ( 0.4000000 0.2000000 -0.1538462), wk = 0.0015385 k( 477) = ( 0.4000000 0.2000000 -0.0769231), wk = 0.0015385 k( 478) = ( 0.4000000 0.3000000 0.0000000), wk = 0.0015385 k( 479) = ( 0.4000000 0.3000000 0.0769231), wk = 0.0015385 k( 480) = ( 0.4000000 0.3000000 0.1538462), wk = 0.0015385 k( 481) = ( 0.4000000 0.3000000 0.2307692), wk = 0.0015385 k( 482) = ( 0.4000000 0.3000000 0.3076923), wk = 0.0015385 k( 483) = ( 0.4000000 0.3000000 0.3846154), wk = 0.0015385 k( 484) = ( 0.4000000 0.3000000 0.4615385), wk = 0.0015385 k( 485) = ( 0.4000000 0.3000000 -0.4615385), wk = 0.0015385 k( 486) = ( 0.4000000 0.3000000 -0.3846154), wk = 0.0015385 k( 487) = ( 0.4000000 0.3000000 -0.3076923), wk = 0.0015385 k( 488) = ( 0.4000000 0.3000000 -0.2307692), wk = 0.0015385 k( 489) = ( 0.4000000 0.3000000 -0.1538462), wk = 0.0015385 k( 490) = ( 0.4000000 0.3000000 -0.0769231), wk = 0.0015385 k( 491) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0015385 k( 492) = ( 0.4000000 0.4000000 0.0769231), wk = 0.0015385 k( 493) = ( 0.4000000 0.4000000 0.1538462), wk = 0.0015385 k( 494) = ( 0.4000000 0.4000000 0.2307692), wk = 0.0015385 k( 495) = ( 0.4000000 0.4000000 0.3076923), wk = 0.0015385 k( 496) = ( 0.4000000 0.4000000 0.3846154), wk = 0.0015385 k( 497) = ( 0.4000000 0.4000000 0.4615385), wk = 0.0015385 k( 498) = ( 0.4000000 0.4000000 -0.4615385), wk = 0.0015385 k( 499) = ( 0.4000000 0.4000000 -0.3846154), wk = 0.0015385 k( 500) = ( 0.4000000 0.4000000 -0.3076923), wk = 0.0015385 k( 501) = ( 0.4000000 0.4000000 -0.2307692), wk = 0.0015385 k( 502) = ( 0.4000000 0.4000000 -0.1538462), wk = 0.0015385 k( 503) = ( 0.4000000 0.4000000 -0.0769231), wk = 0.0015385 k( 504) = ( 0.4000000 -0.5000000 -0.0000000), wk = 0.0015385 k( 505) = ( 0.4000000 -0.5000000 0.0769231), wk = 0.0015385 k( 506) = ( 0.4000000 -0.5000000 0.1538462), wk = 0.0015385 k( 507) = ( 0.4000000 -0.5000000 0.2307692), wk = 0.0015385 k( 508) = ( 0.4000000 -0.5000000 0.3076923), wk = 0.0015385 k( 509) = ( 0.4000000 -0.5000000 0.3846154), wk = 0.0015385 k( 510) = ( 0.4000000 -0.5000000 0.4615385), wk = 0.0015385 k( 511) = ( 0.4000000 -0.5000000 -0.4615385), wk = 0.0015385 k( 512) = ( 0.4000000 -0.5000000 -0.3846154), wk = 0.0015385 k( 513) = ( 0.4000000 -0.5000000 -0.3076923), wk = 0.0015385 k( 514) = ( 0.4000000 -0.5000000 -0.2307692), wk = 0.0015385 k( 515) = ( 0.4000000 -0.5000000 -0.1538462), wk = 0.0015385 k( 516) = ( 0.4000000 -0.5000000 -0.0769231), wk = 0.0015385 k( 517) = ( 0.4000000 -0.4000000 0.0000000), wk = 0.0015385 k( 518) = ( 0.4000000 -0.4000000 0.0769231), wk = 0.0030769 k( 519) = ( 0.4000000 -0.4000000 0.1538462), wk = 0.0030769 k( 520) = ( 0.4000000 -0.4000000 0.2307692), wk = 0.0030769 k( 521) = ( 0.4000000 -0.4000000 0.3076923), wk = 0.0030769 k( 522) = ( 0.4000000 -0.4000000 0.3846154), wk = 0.0030769 k( 523) = ( 0.4000000 -0.4000000 0.4615385), wk = 0.0030769 k( 524) = ( 0.4000000 -0.3000000 0.0000000), wk = 0.0015385 k( 525) = ( 0.4000000 -0.3000000 0.0769231), wk = 0.0015385 k( 526) = ( 0.4000000 -0.3000000 0.1538462), wk = 0.0015385 k( 527) = ( 0.4000000 -0.3000000 0.2307692), wk = 0.0015385 k( 528) = ( 0.4000000 -0.3000000 0.3076923), wk = 0.0015385 k( 529) = ( 0.4000000 -0.3000000 0.3846154), wk = 0.0015385 k( 530) = ( 0.4000000 -0.3000000 0.4615385), wk = 0.0015385 k( 531) = ( 0.4000000 -0.3000000 -0.4615385), wk = 0.0015385 k( 532) = ( 0.4000000 -0.3000000 -0.3846154), wk = 0.0015385 k( 533) = ( 0.4000000 -0.3000000 -0.3076923), wk = 0.0015385 k( 534) = ( 0.4000000 -0.3000000 -0.2307692), wk = 0.0015385 k( 535) = ( 0.4000000 -0.3000000 -0.1538462), wk = 0.0015385 k( 536) = ( 0.4000000 -0.3000000 -0.0769231), wk = 0.0015385 k( 537) = ( 0.4000000 -0.2000000 -0.0000000), wk = 0.0015385 k( 538) = ( 0.4000000 -0.2000000 0.0769231), wk = 0.0015385 k( 539) = ( 0.4000000 -0.2000000 0.1538462), wk = 0.0015385 k( 540) = ( 0.4000000 -0.2000000 0.2307692), wk = 0.0015385 k( 541) = ( 0.4000000 -0.2000000 0.3076923), wk = 0.0015385 k( 542) = ( 0.4000000 -0.2000000 0.3846154), wk = 0.0015385 k( 543) = ( 0.4000000 -0.2000000 0.4615385), wk = 0.0015385 k( 544) = ( 0.4000000 -0.2000000 -0.4615385), wk = 0.0015385 k( 545) = ( 0.4000000 -0.2000000 -0.3846154), wk = 0.0015385 k( 546) = ( 0.4000000 -0.2000000 -0.3076923), wk = 0.0015385 k( 547) = ( 0.4000000 -0.2000000 -0.2307692), wk = 0.0015385 k( 548) = ( 0.4000000 -0.2000000 -0.1538462), wk = 0.0015385 k( 549) = ( 0.4000000 -0.2000000 -0.0769231), wk = 0.0015385 k( 550) = ( 0.4000000 -0.1000000 0.0000000), wk = 0.0015385 k( 551) = ( 0.4000000 -0.1000000 0.0769231), wk = 0.0015385 k( 552) = ( 0.4000000 -0.1000000 0.1538462), wk = 0.0015385 k( 553) = ( 0.4000000 -0.1000000 0.2307692), wk = 0.0015385 k( 554) = ( 0.4000000 -0.1000000 0.3076923), wk = 0.0015385 k( 555) = ( 0.4000000 -0.1000000 0.3846154), wk = 0.0015385 k( 556) = ( 0.4000000 -0.1000000 0.4615385), wk = 0.0015385 k( 557) = ( 0.4000000 -0.1000000 -0.4615385), wk = 0.0015385 k( 558) = ( 0.4000000 -0.1000000 -0.3846154), wk = 0.0015385 k( 559) = ( 0.4000000 -0.1000000 -0.3076923), wk = 0.0015385 k( 560) = ( 0.4000000 -0.1000000 -0.2307692), wk = 0.0015385 k( 561) = ( 0.4000000 -0.1000000 -0.1538462), wk = 0.0015385 k( 562) = ( 0.4000000 -0.1000000 -0.0769231), wk = 0.0015385 k( 563) = ( -0.5000000 0.0000000 0.0000000), wk = 0.0007692 k( 564) = ( -0.5000000 0.0000000 0.0769231), wk = 0.0015385 k( 565) = ( -0.5000000 0.0000000 0.1538462), wk = 0.0015385 k( 566) = ( -0.5000000 0.0000000 0.2307692), wk = 0.0015385 k( 567) = ( -0.5000000 0.0000000 0.3076923), wk = 0.0015385 k( 568) = ( -0.5000000 0.0000000 0.3846154), wk = 0.0015385 k( 569) = ( -0.5000000 0.0000000 0.4615385), wk = 0.0015385 k( 570) = ( -0.5000000 0.1000000 -0.0000000), wk = 0.0015385 k( 571) = ( -0.5000000 0.1000000 0.0769231), wk = 0.0015385 k( 572) = ( -0.5000000 0.1000000 0.1538462), wk = 0.0015385 k( 573) = ( -0.5000000 0.1000000 0.2307692), wk = 0.0015385 k( 574) = ( -0.5000000 0.1000000 0.3076923), wk = 0.0015385 k( 575) = ( -0.5000000 0.1000000 0.3846154), wk = 0.0015385 k( 576) = ( -0.5000000 0.1000000 0.4615385), wk = 0.0015385 k( 577) = ( -0.5000000 0.1000000 -0.4615385), wk = 0.0015385 k( 578) = ( -0.5000000 0.1000000 -0.3846154), wk = 0.0015385 k( 579) = ( -0.5000000 0.1000000 -0.3076923), wk = 0.0015385 k( 580) = ( -0.5000000 0.1000000 -0.2307692), wk = 0.0015385 k( 581) = ( -0.5000000 0.1000000 -0.1538462), wk = 0.0015385 k( 582) = ( -0.5000000 0.1000000 -0.0769231), wk = 0.0015385 k( 583) = ( -0.5000000 0.2000000 0.0000000), wk = 0.0015385 k( 584) = ( -0.5000000 0.2000000 0.0769231), wk = 0.0015385 k( 585) = ( -0.5000000 0.2000000 0.1538462), wk = 0.0015385 k( 586) = ( -0.5000000 0.2000000 0.2307692), wk = 0.0015385 k( 587) = ( -0.5000000 0.2000000 0.3076923), wk = 0.0015385 k( 588) = ( -0.5000000 0.2000000 0.3846154), wk = 0.0015385 k( 589) = ( -0.5000000 0.2000000 0.4615385), wk = 0.0015385 k( 590) = ( -0.5000000 0.2000000 -0.4615385), wk = 0.0015385 k( 591) = ( -0.5000000 0.2000000 -0.3846154), wk = 0.0015385 k( 592) = ( -0.5000000 0.2000000 -0.3076923), wk = 0.0015385 k( 593) = ( -0.5000000 0.2000000 -0.2307692), wk = 0.0015385 k( 594) = ( -0.5000000 0.2000000 -0.1538462), wk = 0.0015385 k( 595) = ( -0.5000000 0.2000000 -0.0769231), wk = 0.0015385 k( 596) = ( -0.5000000 0.3000000 0.0000000), wk = 0.0015385 k( 597) = ( -0.5000000 0.3000000 0.0769231), wk = 0.0015385 k( 598) = ( -0.5000000 0.3000000 0.1538462), wk = 0.0015385 k( 599) = ( -0.5000000 0.3000000 0.2307692), wk = 0.0015385 k( 600) = ( -0.5000000 0.3000000 0.3076923), wk = 0.0015385 k( 601) = ( -0.5000000 0.3000000 0.3846154), wk = 0.0015385 k( 602) = ( -0.5000000 0.3000000 0.4615385), wk = 0.0015385 k( 603) = ( -0.5000000 0.3000000 -0.4615385), wk = 0.0015385 k( 604) = ( -0.5000000 0.3000000 -0.3846154), wk = 0.0015385 k( 605) = ( -0.5000000 0.3000000 -0.3076923), wk = 0.0015385 k( 606) = ( -0.5000000 0.3000000 -0.2307692), wk = 0.0015385 k( 607) = ( -0.5000000 0.3000000 -0.1538462), wk = 0.0015385 k( 608) = ( -0.5000000 0.3000000 -0.0769231), wk = 0.0015385 k( 609) = ( -0.5000000 0.4000000 -0.0000000), wk = 0.0015385 k( 610) = ( -0.5000000 0.4000000 0.0769231), wk = 0.0015385 k( 611) = ( -0.5000000 0.4000000 0.1538462), wk = 0.0015385 k( 612) = ( -0.5000000 0.4000000 0.2307692), wk = 0.0015385 k( 613) = ( -0.5000000 0.4000000 0.3076923), wk = 0.0015385 k( 614) = ( -0.5000000 0.4000000 0.3846154), wk = 0.0015385 k( 615) = ( -0.5000000 0.4000000 0.4615385), wk = 0.0015385 k( 616) = ( -0.5000000 0.4000000 -0.4615385), wk = 0.0015385 k( 617) = ( -0.5000000 0.4000000 -0.3846154), wk = 0.0015385 k( 618) = ( -0.5000000 0.4000000 -0.3076923), wk = 0.0015385 k( 619) = ( -0.5000000 0.4000000 -0.2307692), wk = 0.0015385 k( 620) = ( -0.5000000 0.4000000 -0.1538462), wk = 0.0015385 k( 621) = ( -0.5000000 0.4000000 -0.0769231), wk = 0.0015385 k( 622) = ( -0.5000000 -0.5000000 0.0000000), wk = 0.0007692 k( 623) = ( -0.5000000 -0.5000000 0.0769231), wk = 0.0015385 k( 624) = ( -0.5000000 -0.5000000 0.1538462), wk = 0.0015385 k( 625) = ( -0.5000000 -0.5000000 0.2307692), wk = 0.0015385 k( 626) = ( -0.5000000 -0.5000000 0.3076923), wk = 0.0015385 k( 627) = ( -0.5000000 -0.5000000 0.3846154), wk = 0.0015385 k( 628) = ( -0.5000000 -0.5000000 0.4615385), wk = 0.0015385 Dense grid: 25775 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 142, 24) NL pseudopotentials 0.07 Mb ( 71, 62) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.00 Mb ( 539) G-vector shells 0.00 Mb ( 264) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 142, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.05 Mb ( 62, 2, 24) Arrays for rho mixing 0.61 Mb ( 5000, 8) Initial potential from superposition of free atoms starting charge 15.99463, renormalised to 16.00000 Starting wfc are 36 randomized atomic wfcs total cpu time spent up to now is 70.4 secs per-process dynamical memory: 69.6 Mb Self-consistent Calculation iteration # 1 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 4.1 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 4.99E-04, avg # of iterations = 1.3 total cpu time spent up to now is 229.7 secs total energy = -96.48834723 Ry Harris-Foulkes estimate = -96.51553580 Ry estimated scf accuracy < 0.07839766 Ry iteration # 2 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.90E-04, avg # of iterations = 1.5 total cpu time spent up to now is 292.5 secs total energy = -96.48676616 Ry Harris-Foulkes estimate = -96.49683983 Ry estimated scf accuracy < 0.02977065 Ry iteration # 3 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.86E-04, avg # of iterations = 1.4 total cpu time spent up to now is 355.8 secs total energy = -96.48744995 Ry Harris-Foulkes estimate = -96.49261600 Ry estimated scf accuracy < 0.01734222 Ry iteration # 4 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.08E-04, avg # of iterations = 1.8 total cpu time spent up to now is 439.1 secs total energy = -96.48924172 Ry Harris-Foulkes estimate = -96.48951329 Ry estimated scf accuracy < 0.00088016 Ry iteration # 5 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.50E-06, avg # of iterations = 3.6 total cpu time spent up to now is 529.4 secs total energy = -96.48951989 Ry Harris-Foulkes estimate = -96.48952862 Ry estimated scf accuracy < 0.00005162 Ry iteration # 6 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.23E-07, avg # of iterations = 1.5 total cpu time spent up to now is 592.2 secs total energy = -96.48952273 Ry Harris-Foulkes estimate = -96.48952371 Ry estimated scf accuracy < 0.00000671 Ry iteration # 7 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.19E-08, avg # of iterations = 2.2 total cpu time spent up to now is 662.3 secs total energy = -96.48952332 Ry Harris-Foulkes estimate = -96.48952354 Ry estimated scf accuracy < 0.00000048 Ry iteration # 8 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.97E-09, avg # of iterations = 2.4 total cpu time spent up to now is 739.8 secs total energy = -96.48952342 Ry Harris-Foulkes estimate = -96.48952345 Ry estimated scf accuracy < 0.00000006 Ry iteration # 9 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.72E-10, avg # of iterations = 2.0 total cpu time spent up to now is 815.9 secs total energy = -96.48952343 Ry Harris-Foulkes estimate = -96.48952344 Ry estimated scf accuracy < 0.00000001 Ry iteration # 10 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.46E-11, avg # of iterations = 2.0 total cpu time spent up to now is 886.0 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 3225 PWs) bands (ev): -30.7875 -30.7875 -0.9990 -0.9990 8.4604 8.4604 11.5674 11.5674 12.4875 12.4875 12.5963 12.5963 14.0270 14.0270 14.1563 14.1563 17.1720 17.1720 19.2310 19.2310 19.5134 19.5134 22.3740 22.3740 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1598 ( 3236 PWs) bands (ev): -30.7839 -30.7839 -0.8068 -0.8051 8.6227 8.6341 11.4474 11.4714 12.3178 12.3260 12.4580 12.4680 13.8179 13.8427 14.1887 14.2581 17.1406 17.1597 18.5106 18.5282 18.7497 18.7831 22.7284 22.7300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3196 ( 3250 PWs) bands (ev): -30.7741 -30.7740 -0.2339 -0.2310 9.0467 9.0751 10.8366 10.8600 12.1274 12.1653 12.2172 12.2467 13.2226 13.2827 14.2421 14.3412 17.0907 17.1264 17.6069 17.6351 17.9407 17.9948 21.4247 21.4335 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4794 ( 3238 PWs) bands (ev): -30.7606 -30.7606 0.6997 0.7024 9.4252 9.4967 9.8298 9.8329 11.7404 11.7594 12.3634 12.3978 12.6622 12.6990 14.1513 14.2291 16.9993 17.0245 17.0582 17.1175 18.1120 18.1463 19.8654 19.8802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6393 ( 3232 PWs) bands (ev): -30.7468 -30.7468 1.9430 1.9431 8.8312 8.8465 9.2558 9.3481 11.2615 11.3793 12.5716 12.5802 12.7668 12.7941 14.0062 14.0415 16.5453 16.5900 17.2554 17.3087 18.4469 18.4706 18.9032 18.9053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7991 ( 3212 PWs) bands (ev): -30.7358 -30.7358 3.3567 3.3627 8.1085 8.1182 8.6133 8.7025 10.8855 10.9965 12.5830 12.5838 13.3576 13.3835 13.9542 13.9580 15.9741 16.0240 17.4364 17.4683 17.6728 17.7348 18.6282 18.6606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9589 ( 3204 PWs) bands (ev): -30.7298 -30.7298 4.5430 4.5513 7.7245 7.7317 8.0576 8.1006 10.4701 10.5189 12.4989 12.5013 13.9155 13.9167 14.1139 14.1369 15.1366 15.1705 17.0484 17.0581 17.7149 17.7192 18.1880 18.1990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185 0.1039 ( 3224 PWs) bands (ev): -30.7844 -30.7844 -0.8256 -0.8239 8.5543 8.5640 11.4189 11.4397 12.2698 12.3087 12.6181 12.6306 13.8726 13.8913 14.0116 14.0632 17.3012 17.3098 18.1949 18.2107 19.4357 19.4502 22.4592 22.4755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185 0.2637 ( 3243 PWs) bands (ev): -30.7769 -30.7768 -0.3887 -0.3858 8.9004 8.9239 10.7970 10.8231 12.1588 12.1910 12.5003 12.5399 13.4351 13.4845 13.9638 14.0349 16.9051 16.9184 17.7878 17.8156 18.8391 18.8601 21.7549 21.7752 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185 0.4235 ( 3241 PWs) bands (ev): -30.7649 -30.7649 0.4121 0.4153 9.2642 9.3434 9.8312 9.9076 12.0743 12.1127 12.3249 12.3630 12.8237 12.8713 13.9648 14.0352 16.6066 16.6188 17.7596 17.7933 18.1756 18.2092 20.5582 20.5892 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185 0.5833 ( 3222 PWs) bands (ev): -30.7515 -30.7515 1.5326 1.5340 8.5943 8.6341 9.6518 9.7285 11.5351 11.6201 12.4985 12.5317 12.7177 12.7577 13.9207 13.9718 16.4520 16.4747 17.1292 17.1688 18.7095 18.7309 19.4864 19.5350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185 0.7431 ( 3215 PWs) bands (ev): -30.7399 -30.7399 2.8527 2.8564 7.8485 7.8758 9.2011 9.2882 11.1007 11.2230 12.6254 12.6595 13.0776 13.1112 13.9065 13.9365 15.9369 15.9766 16.8655 16.9161 18.5321 18.5740 19.4618 19.4957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185 0.9029 ( 3212 PWs) bands (ev): -30.7324 -30.7323 4.0454 4.0542 7.6095 7.6252 8.5552 8.6196 10.5953 10.6843 12.5833 12.5926 13.6180 13.6434 13.9106 13.9449 15.2162 15.2434 16.6768 16.7063 18.3264 18.3717 18.9092 18.9553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185 1.0628 ( 3212 PWs) bands (ev): -30.7303 -30.7303 4.4511 4.4542 7.8451 7.8671 8.0988 8.1154 10.3687 10.4087 12.5410 12.5482 13.7775 13.7886 14.1000 14.1130 14.8382 14.8453 16.6033 16.6231 18.1315 18.1884 18.9893 19.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185-0.8550 ( 3214 PWs) bands (ev): -30.7341 -30.7341 3.7357 3.7439 7.6090 7.6305 8.7551 8.8306 10.7518 10.8568 12.6098 12.6228 13.4570 13.4780 13.9045 13.9352 15.4288 15.4617 16.7319 16.7686 18.4382 18.4664 18.9584 18.9851 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185-0.6952 ( 3220 PWs) bands (ev): -30.7430 -30.7430 2.4490 2.4509 8.0333 8.0625 9.3742 9.4616 11.2277 11.3487 12.5952 12.6388 12.9431 12.9856 13.9049 13.9390 16.1356 16.1755 16.9174 16.9701 18.6195 18.6567 19.5298 19.5560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185-0.5354 ( 3235 PWs) bands (ev): -30.7555 -30.7555 1.1675 1.1698 8.8639 8.9160 9.6872 9.7602 11.6988 11.7523 12.4647 12.4782 12.6836 12.7032 13.9357 13.9939 16.5152 16.5269 17.2906 17.3225 18.5507 18.5705 19.7346 19.7789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185-0.3756 ( 3247 PWs) bands (ev): -30.7688 -30.7688 0.1355 0.1387 9.2031 9.2543 10.1092 10.1567 12.1690 12.2148 12.3123 12.3493 12.9814 13.0405 13.9687 14.0417 16.6641 16.6786 17.8694 17.9057 18.1991 18.2354 20.9388 20.9655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185-0.2157 ( 3241 PWs) bands (ev): -30.7797 -30.7797 -0.5591 -0.5565 8.7729 8.7908 11.0446 11.0692 12.1603 12.1974 12.5698 12.6035 13.6090 13.6482 13.9660 14.0325 17.0479 17.0586 17.8078 17.8335 19.1306 19.1493 22.0243 22.0436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1185-0.0559 ( 3231 PWs) bands (ev): -30.7854 -30.7854 -0.8829 -0.8816 8.5047 8.5124 11.4889 11.5061 12.3529 12.3847 12.5816 12.5947 13.9183 13.9344 14.0403 14.0856 17.3421 17.3506 18.5009 18.5128 19.2885 19.3025 22.6614 22.6724 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370 0.2078 ( 3237 PWs) bands (ev): -30.7762 -30.7762 -0.3162 -0.3128 8.8122 8.8325 10.4901 10.5157 12.1892 12.2184 12.7578 12.7910 13.4608 13.4948 13.5683 13.6076 16.5139 16.5252 18.2987 18.3231 19.6316 19.6486 21.6175 21.6414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370 0.3676 ( 3251 PWs) bands (ev): -30.7670 -30.7670 0.3354 0.3392 8.9936 9.0520 9.5838 9.6474 12.1783 12.2071 12.6118 12.6494 12.9974 13.0274 13.5852 13.6331 16.0695 16.0886 18.4832 18.5118 19.1086 19.1495 21.1622 21.2016 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370 0.5274 ( 3228 PWs) bands (ev): -30.7557 -30.7557 1.2933 1.2957 8.0807 8.1041 9.8091 9.8579 11.9056 11.9312 12.3630 12.3911 12.9063 12.9438 13.6833 13.7363 15.8620 15.8785 17.9702 18.0126 18.8805 18.9035 20.6667 20.7099 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370 0.6872 ( 3221 PWs) bands (ev): -30.7451 -30.7451 2.4208 2.4231 7.3419 7.3654 9.6866 9.7620 11.4422 11.5477 12.4492 12.4901 13.0888 13.1220 13.7892 13.8424 15.5728 15.5897 16.9902 17.0411 19.0098 19.0283 20.6035 20.6290 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370 0.8470 ( 3221 PWs) bands (ev): -30.7374 -30.7374 3.3781 3.3855 7.3023 7.3261 9.2188 9.3036 10.8548 10.9758 12.6720 12.7103 13.1805 13.1959 13.8498 13.9063 15.1025 15.1104 16.3691 16.4223 19.1995 19.2266 20.2156 20.2346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370 1.0068 ( 3214 PWs) bands (ev): -30.7340 -30.7340 3.7775 3.7798 8.0910 8.1018 8.5509 8.5993 10.2568 10.3344 12.6785 12.6939 13.3067 13.3577 13.8743 13.9377 14.7735 14.7839 16.1752 16.2149 19.1662 19.2276 20.4381 20.4918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370 1.1666 ( 3220 PWs) bands (ev): -30.7355 -30.7354 3.6117 3.6184 7.5479 7.5651 8.9881 9.0668 10.5580 10.6698 12.6891 12.7138 13.2437 13.2744 13.8461 13.9072 14.9407 14.9432 16.2513 16.2981 19.2154 19.2642 20.2280 20.2631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370-0.7511 ( 3221 PWs) bands (ev): -30.7416 -30.7415 2.8512 2.8561 7.2194 7.2444 9.5188 9.6004 11.2435 11.3605 12.5538 12.6007 13.1211 13.1482 13.8341 13.8872 15.3879 15.4038 16.6815 16.7376 19.0697 19.0883 20.4789 20.5078 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370-0.5913 ( 3220 PWs) bands (ev): -30.7512 -30.7512 1.7374 1.7385 7.7276 7.7495 9.8273 9.8870 11.7133 11.7793 12.3566 12.3802 12.9845 13.0253 13.7186 13.7727 15.7743 15.7897 17.5617 17.6044 18.9554 18.9718 20.5986 20.6351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370-0.4315 ( 3246 PWs) bands (ev): -30.7626 -30.7626 0.6864 0.6900 8.6774 8.7142 9.6446 9.6916 12.1144 12.1485 12.4890 12.5342 12.8941 12.9040 13.6288 13.6786 15.9748 15.9938 18.4861 18.5410 18.7918 18.8508 20.9438 20.9873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370-0.2717 ( 3240 PWs) bands (ev): -30.7730 -30.7730 -0.0965 -0.0929 8.9563 8.9871 10.0633 10.0980 12.1939 12.2187 12.7394 12.7794 13.2853 13.3240 13.5359 13.5812 16.2902 16.3055 18.3568 18.3807 19.5993 19.6224 21.4130 21.4419 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370-0.1119 ( 3242 PWs) bands (ev): -30.7797 -30.7797 -0.5380 -0.5352 8.6370 8.6510 11.0290 11.0523 12.2098 12.2459 12.6337 12.6644 13.5664 13.6093 13.7663 13.8084 16.9916 17.0027 18.2347 18.2587 19.0748 19.0929 22.2220 22.2441 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2370 0.0479 ( 3235 PWs) bands (ev): -30.7809 -30.7809 -0.6124 -0.6099 8.5737 8.5862 11.2466 11.2713 12.2658 12.3005 12.4998 12.5308 13.6014 13.6429 13.8650 13.9121 17.3959 17.4095 18.1142 18.1392 18.6422 18.6694 22.6472 22.6605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555 0.3116 ( 3240 PWs) bands (ev): -30.7662 -30.7662 0.4788 0.4834 8.6131 8.6250 9.4697 9.4879 12.1896 12.2035 12.7260 12.7601 12.9445 12.9488 13.4885 13.5294 15.6904 15.7191 18.9619 18.9771 20.0071 20.0189 21.5090 21.5401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555 0.4714 ( 3233 PWs) bands (ev): -30.7582 -30.7581 1.2482 1.2516 7.5410 7.5478 9.8243 9.8462 11.9887 12.0083 12.3941 12.4459 12.9373 12.9804 13.5852 13.6218 15.4404 15.4641 18.7896 18.8296 19.6611 19.6927 21.7487 21.7830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555 0.6313 ( 3223 PWs) bands (ev): -30.7501 -30.7501 2.1194 2.1208 6.8390 6.8550 9.9102 9.9586 11.7614 11.8237 12.1741 12.2109 13.1793 13.2353 13.6588 13.7176 15.2570 15.2670 17.9637 18.0175 19.2160 19.2542 21.9446 21.9749 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555 0.7911 ( 3226 PWs) bands (ev): -30.7437 -30.7437 2.7344 2.7412 6.9921 7.0167 9.5936 9.6610 11.2901 11.3928 12.4275 12.4636 13.2142 13.2630 13.7412 13.8175 15.0283 15.0389 16.6997 16.7570 19.5452 19.5579 21.5462 21.5789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555 0.9509 ( 3217 PWs) bands (ev): -30.7402 -30.7402 2.9276 2.9331 8.0401 8.0541 9.2009 9.2825 10.3959 10.5116 12.7236 12.7619 13.0543 13.1198 13.6651 13.7514 14.8499 14.8706 16.1011 16.1501 20.2393 20.2846 21.3604 21.3825 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 = 0.0000 0.3555 1.1107 ( 3217 PWs) bands (ev): -30.7401 -30.7400 2.9330 2.9383 8.1636 8.1758 9.1521 9.2326 10.3118 10.4254 12.7436 12.7792 13.0408 13.1079 13.6616 13.7483 14.8358 14.8567 16.0806 16.1283 20.2835 20.3331 21.4177 21.4416 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555 1.2705 ( 3226 PWs) bands (ev): -30.7432 -30.7432 2.7702 2.7772 7.0641 7.0888 9.5556 9.6247 11.2189 11.3240 12.4617 12.4987 13.2015 13.2508 13.7374 13.8149 15.0081 15.0204 16.6020 16.6596 19.6094 19.6220 21.4897 21.5212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555-0.6472 ( 3222 PWs) bands (ev): -30.7493 -30.7493 2.1990 2.2011 6.8093 6.8264 9.8904 9.9412 11.7285 11.7980 12.1835 12.2187 13.1986 13.2544 13.6690 13.7303 15.2352 15.2437 17.8323 17.8849 19.2210 19.2557 21.9423 21.9727 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555-0.4874 ( 3229 PWs) bands (ev): -30.7573 -30.7573 1.3352 1.3384 7.4447 7.4520 9.8552 9.8795 11.9683 11.9883 12.3528 12.4066 12.9565 13.0017 13.5934 13.6313 15.4229 15.4455 18.7542 18.7994 19.5827 19.6181 21.7719 21.8059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555-0.3276 ( 3237 PWs) bands (ev): -30.7654 -30.7654 0.5450 0.5496 8.5143 8.5239 9.4902 9.5062 12.1738 12.1869 12.7107 12.7431 12.9303 12.9365 13.4953 13.5346 15.6554 15.6843 18.9501 18.9654 20.0447 20.0585 21.5209 21.5526 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 0.3555-0.1678 ( 3248 PWs) bands (ev): -30.7716 -30.7716 0.0193 0.0235 8.8080 8.8253 10.0634 10.0876 12.2703 12.2994 12.6491 12.6888 13.0391 13.0689 13.5637 13.6097 16.1510 16.1739 18.7422 18.7937 19.1310 19.1948 21.8245 21.8605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555-0.0080 ( 3236 PWs) bands (ev): -30.7741 -30.7740 -0.1735 -0.1697 8.6759 8.6916 10.8313 10.8521 12.2568 12.2851 12.3604 12.3902 13.0970 13.1381 13.7187 13.7673 17.0538 17.0628 17.2309 17.2699 19.2155 19.2252 22.3585 22.3641 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3555 0.1518 ( 3247 PWs) bands (ev): -30.7721 -30.7720 -0.0156 -0.0114 8.7878 8.8047 10.1734 10.1971 12.2741 12.3047 12.6145 12.6537 13.0489 13.0813 13.5841 13.6302 16.2202 16.2425 18.5917 18.6280 19.1402 19.1857 21.8902 21.9250 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 = 0.0000 0.4740 0.4155 ( 3237 PWs) bands (ev): -30.7580 -30.7580 1.3948 1.3993 7.0931 7.0994 9.8136 9.8137 11.9477 11.9567 12.5330 12.5434 12.7745 12.7827 13.6581 13.6761 15.2350 15.2601 19.0658 19.0730 20.4970 20.5049 22.6675 22.7034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740 0.5753 ( 3228 PWs) bands (ev): -30.7536 -30.7536 1.9508 1.9515 6.4703 6.4783 9.9967 10.0199 11.8262 11.8460 12.2199 12.2727 12.9640 13.0042 13.6972 13.7205 15.1370 15.1417 18.8654 18.9106 19.9197 19.9682 23.2512 23.2924 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740 0.7351 ( 3225 PWs) bands (ev): -30.7501 -30.7501 2.1697 2.1761 6.8057 6.8268 9.7319 9.7717 11.7353 11.8032 12.1884 12.2279 13.1865 13.2442 13.6419 13.6992 15.0712 15.0933 17.7722 17.8253 19.5931 19.6229 23.0118 23.0471 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740 0.8950 ( 3217 PWs) bands (ev): -30.7480 -30.7479 2.1037 2.1105 7.9809 8.0038 9.3925 9.4415 11.0916 11.1731 12.5370 12.5824 13.0563 13.1259 13.5209 13.6044 15.1071 15.1368 16.4927 16.5414 20.4203 20.4405 22.3367 22.3618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740 1.0548 ( 3223 PWs) bands (ev): -30.7473 -30.7473 2.0546 2.0607 8.9448 8.9786 9.1613 9.1973 10.4404 10.5136 12.7630 12.7881 12.8907 12.9577 13.4695 13.5614 15.0916 15.1175 16.1630 16.2049 21.3768 21.4164 21.7485 21.7667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740 1.2146 ( 3218 PWs) bands (ev): -30.7483 -30.7482 2.1234 2.1304 7.7076 7.7316 9.4515 9.4987 11.2663 11.3464 12.4676 12.5101 13.1014 13.1696 13.5459 13.6256 15.1011 15.1310 16.6765 16.7264 20.2029 20.2211 22.4614 22.4866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740 1.3744 ( 3229 PWs) bands (ev): -30.7507 -30.7507 2.1584 2.1640 6.6564 6.6754 9.8042 9.8417 11.7978 11.8602 12.1366 12.1818 13.1686 13.2222 13.6581 13.7077 15.0761 15.0939 18.0867 18.1428 19.5225 19.5615 23.1436 23.1818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740-0.5434 ( 3229 PWs) bands (ev): -30.7545 -30.7545 1.8576 1.8584 6.5282 6.5333 10.0003 10.0187 11.8259 11.8404 12.2855 12.3340 12.9027 12.9405 13.6987 13.7181 15.1531 15.1617 18.9169 18.9499 20.1473 20.1845 23.1629 23.2039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740-0.3836 ( 3241 PWs) bands (ev): -30.7589 -30.7589 1.2732 1.2783 7.2989 7.3072 9.7313 9.7348 11.9989 12.0093 12.5404 12.5637 12.7847 12.8053 13.6373 13.6584 15.2672 15.2956 19.1066 19.1183 20.3604 20.3721 22.5453 22.5809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740-0.2237 ( 3234 PWs) bands (ev): -30.7629 -30.7629 0.7480 0.7536 8.4786 8.4917 9.3975 9.4123 12.2372 12.2705 12.4535 12.5024 12.8305 12.8719 13.5391 13.5813 15.5753 15.6085 18.5476 18.5960 19.7225 19.7780 22.1171 22.1616 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740-0.0639 ( 3234 PWs) bands (ev): -30.7652 -30.7651 0.4703 0.4755 8.8308 8.8491 10.0422 10.0610 11.9659 11.9937 12.4512 12.4792 12.7793 12.7919 13.5548 13.6075 16.1227 16.1487 17.0241 17.0588 20.2403 20.2638 21.9807 22.0122 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4740 0.0959 ( 3237 PWs) bands (ev): -30.7649 -30.7649 0.5019 0.5072 8.8357 8.8529 9.8659 9.8867 12.0644 12.1008 12.4401 12.4653 12.7824 12.7994 13.5464 13.5981 15.9973 16.0253 17.2763 17.3100 20.1538 20.1852 21.9850 22.0262 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 0.4740 0.2557 ( 3234 PWs) bands (ev): -30.7622 -30.7622 0.8368 0.8425 8.2496 8.2629 9.4289 9.4422 12.2024 12.2287 12.4775 12.5265 12.8426 12.8857 13.5513 13.5896 15.4924 15.5261 18.8548 18.9162 19.6604 19.7273 22.1798 22.2210 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5925-0.5194 ( 3236 PWs) bands (ev): -30.7549 -30.7549 1.8981 1.8981 6.3371 6.3371 10.0252 10.0252 11.7910 11.7910 12.4464 12.4464 12.7356 12.7356 13.7487 13.7487 15.1141 15.1141 19.0263 19.0263 20.7759 20.7759 23.9148 23.9148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5925-0.3596 ( 3227 PWs) bands (ev): -30.7552 -30.7552 1.7125 1.7181 6.8320 6.8469 9.7821 9.8011 11.9443 11.9710 12.2562 12.3087 12.9333 12.9738 13.6767 13.7005 15.1409 15.1664 18.9359 18.9931 19.8356 19.8875 23.4962 23.5285 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 = 0.0000-0.5925-0.1998 ( 3230 PWs) bands (ev): -30.7558 -30.7557 1.3898 1.3965 8.0299 8.0530 9.4132 9.4415 11.8339 11.8919 12.3662 12.4120 12.9463 12.9995 13.5363 13.5878 15.3443 15.3790 17.5024 17.5467 20.1057 20.1381 22.7415 22.7842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5925-0.0400 ( 3227 PWs) bands (ev): -30.7561 -30.7561 1.2094 1.2155 8.9651 8.9937 9.5178 9.5370 11.1867 11.2305 12.6121 12.6442 12.7907 12.8366 13.4577 13.5267 15.6026 15.6288 16.4554 16.4953 21.1617 21.1999 21.8899 21.9338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5925 0.1199 ( 3234 PWs) bands (ev): -30.7560 -30.7560 1.2720 1.2784 8.6630 8.6865 9.3401 9.3706 11.5277 11.5835 12.5078 12.5523 12.8583 12.9101 13.4835 13.5458 15.4895 15.5214 16.8385 16.8797 20.6059 20.6413 22.3366 22.3880 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5925 0.2797 ( 3230 PWs) bands (ev): -30.7555 -30.7554 1.5463 1.5529 7.3786 7.3986 9.5832 9.6078 11.9871 12.0409 12.2344 12.2913 12.9893 13.0383 13.6070 13.6450 15.2169 15.2500 18.3183 18.3724 19.7673 19.8091 23.1265 23.1603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5925 0.4395 ( 3232 PWs) bands (ev): -30.7550 -30.7550 1.8453 1.8486 6.4650 6.4731 9.9523 9.9631 11.8362 11.8468 12.3610 12.3998 12.8064 12.8375 13.7273 13.7385 15.1144 15.1280 19.0311 19.0518 20.4461 20.4703 23.7905 23.8188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636 0.1039 ( 3224 PWs) bands (ev): -30.7844 -30.7844 -0.8256 -0.8239 8.5543 8.5640 11.4189 11.4397 12.2698 12.3087 12.6181 12.6306 13.8726 13.8913 14.0116 14.0632 17.3012 17.3098 18.1949 18.2107 19.4357 19.4502 22.4592 22.4755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636 0.2637 ( 3243 PWs) bands (ev): -30.7769 -30.7768 -0.3887 -0.3858 8.9004 8.9239 10.7970 10.8231 12.1588 12.1910 12.5003 12.5399 13.4351 13.4845 13.9638 14.0349 16.9051 16.9184 17.7878 17.8156 18.8391 18.8601 21.7549 21.7752 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636 0.4235 ( 3241 PWs) bands (ev): -30.7649 -30.7649 0.4121 0.4153 9.2642 9.3434 9.8312 9.9076 12.0743 12.1127 12.3249 12.3630 12.8237 12.8713 13.9648 14.0352 16.6066 16.6188 17.7596 17.7933 18.1756 18.2092 20.5582 20.5892 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636 0.5833 ( 3222 PWs) bands (ev): -30.7515 -30.7515 1.5326 1.5340 8.5943 8.6341 9.6518 9.7285 11.5351 11.6201 12.4985 12.5317 12.7177 12.7577 13.9207 13.9718 16.4520 16.4747 17.1292 17.1688 18.7095 18.7309 19.4864 19.5350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636 0.7431 ( 3215 PWs) bands (ev): -30.7399 -30.7399 2.8527 2.8564 7.8485 7.8758 9.2011 9.2882 11.1007 11.2230 12.6254 12.6595 13.0776 13.1112 13.9065 13.9365 15.9369 15.9766 16.8655 16.9161 18.5321 18.5740 19.4618 19.4957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636 0.9029 ( 3212 PWs) bands (ev): -30.7324 -30.7323 4.0454 4.0542 7.6095 7.6252 8.5552 8.6196 10.5953 10.6843 12.5833 12.5926 13.6180 13.6434 13.9106 13.9449 15.2162 15.2434 16.6768 16.7063 18.3264 18.3717 18.9092 18.9553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636 1.0628 ( 3212 PWs) bands (ev): -30.7303 -30.7303 4.4511 4.4542 7.8451 7.8671 8.0988 8.1154 10.3687 10.4087 12.5410 12.5482 13.7775 13.7886 14.1000 14.1130 14.8382 14.8453 16.6033 16.6231 18.1315 18.1884 18.9893 19.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636-0.8550 ( 3214 PWs) bands (ev): -30.7341 -30.7341 3.7357 3.7439 7.6090 7.6305 8.7551 8.8306 10.7518 10.8568 12.6098 12.6228 13.4570 13.4780 13.9045 13.9352 15.4288 15.4617 16.7319 16.7686 18.4382 18.4664 18.9584 18.9851 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636-0.6952 ( 3220 PWs) bands (ev): -30.7430 -30.7430 2.4490 2.4509 8.0333 8.0625 9.3742 9.4616 11.2277 11.3487 12.5952 12.6388 12.9431 12.9856 13.9049 13.9390 16.1356 16.1755 16.9174 16.9701 18.6195 18.6567 19.5298 19.5560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636-0.5354 ( 3235 PWs) bands (ev): -30.7555 -30.7555 1.1675 1.1698 8.8639 8.9160 9.6872 9.7602 11.6988 11.7523 12.4647 12.4782 12.6836 12.7032 13.9357 13.9939 16.5152 16.5269 17.2906 17.3225 18.5507 18.5705 19.7346 19.7789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636-0.3756 ( 3247 PWs) bands (ev): -30.7688 -30.7688 0.1355 0.1387 9.2031 9.2543 10.1092 10.1567 12.1690 12.2148 12.3123 12.3493 12.9814 13.0405 13.9687 14.0417 16.6641 16.6786 17.8694 17.9057 18.1991 18.2354 20.9388 20.9655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636-0.2157 ( 3241 PWs) bands (ev): -30.7797 -30.7797 -0.5591 -0.5565 8.7729 8.7908 11.0446 11.0692 12.1603 12.1974 12.5698 12.6035 13.6090 13.6482 13.9660 14.0325 17.0479 17.0586 17.8078 17.8335 19.1306 19.1493 22.0243 22.0436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.0636-0.0559 ( 3231 PWs) bands (ev): -30.7854 -30.7854 -0.8829 -0.8816 8.5047 8.5124 11.4889 11.5061 12.3529 12.3847 12.5816 12.5947 13.9183 13.9344 14.0403 14.0856 17.3421 17.3506 18.5009 18.5128 19.2885 19.3025 22.6614 22.6724 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549 0.2078 ( 3232 PWs) bands (ev): -30.7812 -30.7812 -0.6292 -0.6267 8.5592 8.5714 11.2995 11.3248 12.3141 12.3260 12.4497 12.4629 13.6097 13.6507 13.8893 13.9377 17.6147 17.6188 17.9695 17.9921 18.5327 18.5663 22.7841 22.7869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549 0.3676 ( 3246 PWs) bands (ev): -30.7700 -30.7700 0.0534 0.0569 9.0432 9.0731 10.5370 10.5545 12.0811 12.1219 12.2723 12.3140 12.9636 13.0194 13.9122 13.9792 17.0337 17.0518 17.1303 17.1755 18.6058 18.6328 21.3815 21.3894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549 0.5274 ( 3238 PWs) bands (ev): -30.7562 -30.7561 1.0825 1.0855 9.3580 9.4483 9.5286 9.5406 11.5055 11.5684 12.4917 12.5201 12.6302 12.6320 13.8614 13.9224 16.5306 16.5584 16.7995 16.8537 19.1447 19.1569 19.9087 19.9202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549 0.6872 ( 3218 PWs) bands (ev): -30.7430 -30.7430 2.3880 2.3886 8.5979 8.6108 9.0759 9.1673 11.0668 11.1885 12.6338 12.6543 12.9115 12.9389 13.8593 13.8945 16.0262 16.0612 16.9454 16.9989 18.6647 18.6788 19.6157 19.6376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549 0.8470 ( 3211 PWs) bands (ev): -30.7334 -30.7334 3.7803 3.7876 7.9754 7.9850 8.4123 8.4885 10.7243 10.8170 12.6379 12.6384 13.4827 13.5072 13.9262 13.9331 15.4459 15.4798 17.4047 17.4476 17.8351 17.8462 18.4988 18.5220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549 1.0068 ( 3207 PWs) bands (ev): -30.7291 -30.7291 4.7128 4.7166 7.7036 7.7078 7.9588 7.9746 10.4410 10.4595 12.6098 12.6113 13.8857 13.8857 14.0486 14.0591 14.8816 14.8941 17.5035 17.5043 17.5600 17.5615 18.2782 18.2809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549 1.1666 ( 3210 PWs) bands (ev): -30.7310 -30.7310 4.2629 4.2717 7.8218 7.8310 8.1744 8.2326 10.5755 10.6436 12.6214 12.6244 13.7335 13.7565 13.9164 13.9181 15.1895 15.2195 17.5462 17.5722 17.6459 17.6544 18.2680 18.2764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549-0.7511 ( 3220 PWs) bands (ev): -30.7386 -30.7386 2.9520 2.9551 8.3102 8.3210 8.8161 8.9059 10.9416 11.0580 12.6477 12.6601 13.1244 13.1503 13.8943 13.9162 15.8086 15.8443 17.1047 17.1565 18.2744 18.2882 19.2246 19.2567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549-0.5913 ( 3230 PWs) bands (ev): -30.7506 -30.7506 1.5780 1.5800 9.1063 9.1305 9.3597 9.4307 11.2867 11.3874 12.5992 12.6149 12.6483 12.6758 13.8434 13.8965 16.3293 16.3611 16.8132 16.8671 19.3630 19.3727 19.4368 19.4370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549-0.4315 ( 3243 PWs) bands (ev): -30.7646 -30.7646 0.4261 0.4296 9.2286 9.2726 10.1349 10.1461 11.8945 11.9023 12.3324 12.3685 12.7600 12.7989 13.8986 13.9656 16.8511 16.8634 16.9065 16.9671 18.7798 18.8018 20.7770 20.7865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549-0.2717 ( 3232 PWs) bands (ev): -30.7772 -30.7772 -0.4001 -0.3971 8.7388 8.7564 11.0571 11.0822 12.2478 12.2490 12.3543 12.3597 13.3677 13.4184 13.9045 13.9643 17.3716 17.3838 17.5978 17.6280 18.4848 18.5173 22.2742 22.2795 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549-0.1119 ( 3230 PWs) bands (ev): -30.7854 -30.7854 -0.8595 -0.8581 8.3648 8.3709 11.4883 11.5035 12.4656 12.4682 12.5836 12.5845 13.7833 13.8174 13.9387 13.9554 17.8413 17.8416 18.5528 18.5655 18.8415 18.8635 22.9308 22.9309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.0549 0.0479 ( 3228 PWs) bands (ev): -30.7868 -30.7868 -0.9363 -0.9357 8.2977 8.3002 11.5358 11.5421 12.5292 12.5346 12.6389 12.6428 13.7882 13.8041 14.0090 14.0153 17.8949 17.8949 18.8302 18.8365 19.0867 19.0959 22.5663 22.5670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734 0.3116 ( 3233 PWs) bands (ev): -30.7731 -30.7731 -0.0996 -0.0956 8.7317 8.7477 10.4821 10.5046 12.2797 12.3146 12.4973 12.5353 13.0744 13.1119 13.6461 13.6929 16.4544 16.4756 18.1021 18.1270 19.1756 19.1976 22.0928 22.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734 0.4714 ( 3241 PWs) bands (ev): -30.7605 -30.7605 0.7964 0.8006 9.0605 9.1138 9.5969 9.6572 11.8858 11.9202 12.4232 12.4436 12.7442 12.7555 13.6404 13.6971 16.1155 16.1392 17.2487 17.2865 19.4638 19.4931 21.0393 21.0847 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734 0.6313 ( 3226 PWs) bands (ev): -30.7475 -30.7475 1.9777 1.9797 8.3289 8.3540 9.5246 9.6029 11.2375 11.3419 12.5396 12.5831 12.8931 12.9272 13.6871 13.7468 15.8447 15.8739 16.6899 16.7484 19.2670 19.2867 20.5540 20.5983 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734 0.7911 ( 3215 PWs) bands (ev): -30.7370 -30.7370 3.2776 3.2818 7.7186 7.7389 9.0339 9.1165 10.8700 10.9815 12.6902 12.7209 13.1803 13.1982 13.8923 13.9342 15.3699 15.3989 16.6493 16.7041 18.6036 18.6118 19.6180 19.6436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734 0.9509 ( 3214 PWs) bands (ev): -30.7311 -30.7311 4.2750 4.2816 7.6836 7.6922 8.3445 8.3905 10.5087 10.5712 12.7530 12.7625 13.4788 13.4881 13.9550 13.9739 14.9313 14.9440 16.8060 16.8348 18.2814 18.3236 19.1845 19.2198 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734 1.1107 ( 3211 PWs) bands (ev): -30.7308 -30.7308 4.3317 4.3378 7.7189 7.7273 8.2741 8.3144 10.4844 10.5406 12.7570 12.7660 13.4927 13.5015 13.9614 13.9782 14.9018 14.9126 16.8127 16.8402 18.2652 18.3104 19.2032 19.2411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734 1.2705 ( 3213 PWs) bands (ev): -30.7362 -30.7362 3.4011 3.4060 7.6843 7.7042 8.9692 9.0498 10.8329 10.9414 12.6996 12.7266 13.2148 13.2309 13.9068 13.9467 15.3188 15.3470 16.6665 16.7188 18.5540 18.5627 19.5164 19.5407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734-0.6472 ( 3225 PWs) bands (ev): -30.7463 -30.7463 2.1068 2.1083 8.2506 8.2748 9.4962 9.5772 11.1932 11.3022 12.5559 12.6007 12.9195 12.9523 13.7028 13.7614 15.8062 15.8363 16.6619 16.7220 19.2002 19.2169 20.5224 20.5630 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734-0.4874 ( 3239 PWs) bands (ev): -30.7592 -30.7592 0.9033 0.9074 9.0251 9.0777 9.5692 9.6317 11.8106 11.8511 12.4345 12.4555 12.7394 12.7565 13.6402 13.6979 16.0920 16.1157 17.1750 17.2144 19.4849 19.5155 20.9487 20.9966 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734-0.3276 ( 3236 PWs) bands (ev): -30.7720 -30.7719 -0.0250 -0.0210 8.7829 8.8007 10.3843 10.4076 12.2800 12.3192 12.4595 12.5002 13.0215 13.0585 13.6441 13.6920 16.4069 16.4288 18.0123 18.0384 19.2009 19.2230 21.9908 22.0202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734-0.1678 ( 3240 PWs) bands (ev): -30.7815 -30.7815 -0.6082 -0.6055 8.3323 8.3395 11.1942 11.2150 12.3295 12.3627 12.7141 12.7366 13.4222 13.4482 13.7775 13.8062 17.0962 17.1083 18.7384 18.7554 19.0176 19.0363 22.7265 22.7495 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734-0.0080 ( 3229 PWs) bands (ev): -30.7852 -30.7852 -0.8178 -0.8163 8.1485 8.1524 11.4682 11.4808 12.5498 12.5557 12.6650 12.6694 13.5065 13.5271 13.9466 13.9618 18.1577 18.1601 18.3967 18.4099 18.9043 18.9110 23.0005 23.0019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.1734 0.1518 ( 3236 PWs) bands (ev): -30.7821 -30.7821 -0.6463 -0.6437 8.2997 8.3063 11.2469 11.2671 12.3471 12.3799 12.7224 12.7423 13.4386 13.4633 13.8038 13.8301 17.1932 17.2044 18.7713 18.7865 18.9989 19.0157 22.7614 22.7830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919 0.4155 ( 3232 PWs) bands (ev): -30.7632 -30.7632 0.7073 0.7130 8.5799 8.5925 9.3990 9.4147 12.2480 12.2853 12.4408 12.4876 12.8223 12.8617 13.5354 13.5793 15.6204 15.6531 18.3813 18.4249 19.7695 19.8206 22.0901 22.1360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919 0.5753 ( 3227 PWs) bands (ev): -30.7521 -30.7521 1.7120 1.7161 7.7483 7.7557 9.6780 9.7238 11.6731 11.7374 12.3231 12.3604 13.0461 13.0986 13.5647 13.6274 15.4593 15.4874 17.3599 17.4118 19.4876 19.5111 21.9232 21.9607 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919 0.7351 ( 3225 PWs) bands (ev): -30.7423 -30.7423 2.7848 2.7872 7.2277 7.2414 9.5827 9.6657 11.1861 11.2943 12.4649 12.5010 13.2266 13.2522 13.8188 13.8909 15.2166 15.2356 16.5422 16.6124 19.0103 19.0222 21.0336 21.0608 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919 0.8950 ( 3214 PWs) bands (ev): -30.7359 -30.7359 3.5367 3.5416 7.4778 7.4904 9.0675 9.1497 10.6991 10.8060 12.7268 12.7592 13.1999 13.2234 13.9158 13.9729 14.9678 14.9742 16.3213 16.3799 18.8847 18.9036 20.2411 20.2672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919 1.0548 ( 3216 PWs) bands (ev): -30.7340 -30.7340 3.7378 3.7394 8.1166 8.1306 8.4811 8.5352 10.4441 10.5227 12.9073 12.9237 13.0924 13.1200 13.8733 13.9208 14.8699 14.8864 16.3710 16.4155 18.9951 19.0397 20.4508 20.4667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919 1.2146 ( 3216 PWs) bands (ev): -30.7368 -30.7368 3.4305 3.4355 7.3581 7.3721 9.1935 9.2799 10.8010 10.9124 12.6738 12.7073 13.2140 13.2369 13.9310 13.9928 15.0075 15.0099 16.3186 16.3825 18.8658 18.8784 20.3182 20.3452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919 1.3744 ( 3222 PWs) bands (ev): -30.7440 -30.7440 2.5815 2.5835 7.2804 7.2928 9.6458 9.7236 11.2727 11.3752 12.4204 12.4569 13.2155 13.2473 13.7495 13.8218 15.2765 15.2981 16.6685 16.7355 19.0960 19.1095 21.2738 21.2992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919-0.5434 ( 3231 PWs) bands (ev): -30.7543 -30.7543 1.4967 1.5013 7.9122 7.9194 9.6291 9.6668 11.7951 11.8500 12.3222 12.3605 12.9853 13.0365 13.5533 13.6103 15.4920 15.5214 17.5589 17.6081 19.5716 19.5996 21.9739 22.0149 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919-0.3836 ( 3234 PWs) bands (ev): -30.7654 -30.7654 0.5345 0.5401 8.6640 8.6764 9.4317 9.4432 12.2995 12.3291 12.5289 12.5724 12.8179 12.8532 13.5312 13.5747 15.6622 15.6948 18.5786 18.6223 19.7864 19.8431 22.1167 22.1623 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919-0.2237 ( 3241 PWs) bands (ev): -30.7748 -30.7748 -0.1439 -0.1392 8.3996 8.4001 10.3411 10.3538 12.3551 12.3780 12.8398 12.8761 12.9946 12.9991 13.5818 13.6257 16.0437 16.0691 19.0962 19.1144 19.8016 19.8198 22.3062 22.3380 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919-0.0639 ( 3232 PWs) bands (ev): -30.7799 -30.7799 -0.4753 -0.4719 8.1279 8.1318 11.1374 11.1569 12.4429 12.4668 12.6851 12.7057 13.1828 13.1879 13.7377 13.7735 16.9152 16.9297 18.0317 18.0497 19.8187 19.8338 23.3385 23.3631 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 = 0.1000 0.2919 0.0959 ( 3231 PWs) bands (ev): -30.7793 -30.7793 -0.4382 -0.4346 8.1600 8.1635 11.0333 11.0524 12.4112 12.4363 12.7393 12.7625 13.1558 13.1602 13.7152 13.7517 16.6939 16.7107 18.3153 18.3332 19.8130 19.8323 23.0933 23.1225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.2919 0.2557 ( 3238 PWs) bands (ev): -30.7732 -30.7731 -0.0347 -0.0298 8.4779 8.4800 10.1306 10.1411 12.3511 12.3733 12.8120 12.8516 12.9506 12.9635 13.5549 13.6002 15.9361 15.9638 19.1073 19.1366 19.7973 19.8352 22.2272 22.2621 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 0.5194 ( 3231 PWs) bands (ev): -30.7554 -30.7553 1.6137 1.6201 7.1428 7.1610 9.6622 9.6848 11.9917 12.0364 12.2208 12.2798 12.9794 13.0251 13.6362 13.6684 15.1795 15.2104 18.6251 18.6858 19.7151 19.7654 23.2782 23.3104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 0.6792 ( 3232 PWs) bands (ev): -30.7479 -30.7479 2.3754 2.3776 6.7602 6.7702 9.8352 9.8899 11.5985 11.6737 12.1925 12.2254 13.2854 13.3484 13.6636 13.7401 15.1097 15.1202 17.4434 17.5022 19.2531 19.2836 22.4095 22.4435 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 0.8390 ( 3222 PWs) bands (ev): -30.7425 -30.7425 2.7712 2.7744 7.2719 7.2832 9.5648 9.6464 11.1231 11.2300 12.4702 12.5055 13.2385 13.2750 13.7718 13.8514 15.1224 15.1424 16.4733 16.5425 19.1944 19.2050 21.2289 21.2564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 0.9988 ( 3223 PWs) bands (ev): -30.7400 -30.7400 2.8508 2.8526 8.3480 8.3650 9.0252 9.1031 10.5760 10.6849 12.8003 12.8480 12.9750 13.0124 13.6604 13.7334 15.1237 15.1487 16.2865 16.3399 19.8427 19.8703 20.4146 20.4264 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 1.1586 ( 3218 PWs) bands (ev): -30.7408 -30.7408 2.8321 2.8349 7.8025 7.8138 9.3336 9.4199 10.8102 10.9249 12.6381 12.6812 13.1229 13.1575 13.7065 13.7811 15.1414 15.1668 16.3061 16.3689 19.4389 19.4510 20.8111 20.8334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 1.3185 ( 3223 PWs) bands (ev): -30.7448 -30.7448 2.6289 2.6312 6.9010 6.9122 9.7375 9.8077 11.3876 11.4802 12.3113 12.3411 13.3026 13.3516 13.7591 13.8414 15.0942 15.1021 16.8759 16.9409 19.1440 19.1639 21.7561 21.7882 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 1.4783 ( 3230 PWs) bands (ev): -30.7514 -30.7514 2.0214 2.0259 6.8546 6.8666 9.8133 9.8498 11.7990 11.8554 12.1511 12.1964 13.1520 13.2063 13.6299 13.6803 15.1452 15.1672 18.0527 18.1107 19.4662 19.5061 23.0401 23.0700 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104-0.4395 ( 3232 PWs) bands (ev): -30.7594 -30.7594 1.2017 1.2090 7.5640 7.5919 9.4353 9.4578 12.1392 12.1645 12.4210 12.4692 12.8413 12.8843 13.6319 13.6586 15.2174 15.2543 19.1384 19.2047 19.9016 19.9685 23.1488 23.1865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104-0.2797 ( 3237 PWs) bands (ev): -30.7669 -30.7669 0.4986 0.5056 8.3212 8.3631 9.3171 9.3497 12.3667 12.3762 12.7044 12.7417 12.7851 12.8242 13.5780 13.6146 15.3998 15.4392 19.3713 19.3988 20.1969 20.2290 22.7252 22.7633 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 = 0.1000 0.4104-0.1199 ( 3232 PWs) bands (ev): -30.7720 -30.7720 0.0736 0.0794 8.2238 8.2320 10.3270 10.3360 12.4261 12.4462 12.5926 12.6283 12.8717 12.9155 13.5689 13.6169 15.9036 15.9341 17.8266 17.8511 20.8171 20.8584 23.1234 23.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 0.0400 ( 3231 PWs) bands (ev): -30.7731 -30.7731 -0.0138 -0.0085 8.1652 8.1677 10.7140 10.7305 12.3104 12.3290 12.5810 12.6039 12.9011 12.9333 13.5828 13.6324 16.3079 16.3299 17.1044 17.1319 20.9442 20.9702 23.4944 23.5154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 0.1998 ( 3236 PWs) bands (ev): -30.7699 -30.7699 0.2461 0.2525 8.3143 8.3346 9.7836 9.7918 12.4400 12.4484 12.6585 12.7061 12.8354 12.8854 13.5619 13.6058 15.6001 15.6361 18.6542 18.6828 20.5554 20.6044 22.8049 22.8531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000 0.4104 0.3596 ( 3229 PWs) bands (ev): -30.7634 -30.7633 0.8221 0.8295 8.0269 8.0685 9.2417 9.2757 12.2609 12.2735 12.6335 12.6766 12.7549 12.7986 13.6087 13.6380 15.2811 15.3210 19.5526 19.6214 19.9335 20.0075 22.8926 22.9299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-0.4155 ( 3232 PWs) bands (ev): -30.7525 -30.7524 2.0609 2.0636 6.4602 6.4726 9.9523 9.9818 11.8403 11.8738 12.1397 12.1962 13.0563 13.1005 13.6877 13.7191 15.1109 15.1172 18.7072 18.7694 19.6190 19.6795 23.3109 23.3517 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-0.2557 ( 3225 PWs) bands (ev): -30.7495 -30.7495 2.0774 2.0800 7.1808 7.1892 9.8020 9.8546 11.6364 11.7073 12.2460 12.2810 13.1868 13.2429 13.6180 13.6857 15.2979 15.3203 17.4477 17.5039 19.2711 19.2970 22.0799 22.1072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-0.0959 ( 3227 PWs) bands (ev): -30.7480 -30.7479 1.9589 1.9623 8.4230 8.4430 9.4684 9.5400 11.0970 11.1948 12.5645 12.6104 12.9205 12.9625 13.5651 13.6369 15.5926 15.6213 16.5287 16.5848 19.7789 19.8018 21.1179 21.1617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561 0.0639 ( 3230 PWs) bands (ev): -30.7478 -30.7478 1.9440 1.9473 8.6566 8.6833 9.3823 9.4544 10.9862 11.0862 12.6226 12.6693 12.8589 12.9007 13.5580 13.6302 15.6109 15.6389 16.4658 16.5197 19.9621 19.9883 20.9201 20.9643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561 0.2237 ( 3222 PWs) bands (ev): -30.7491 -30.7491 2.0537 2.0567 7.4106 7.4192 9.7423 9.7991 11.5535 11.6306 12.3095 12.3453 13.1541 13.2062 13.6089 13.6783 15.3666 15.3915 17.1929 17.2494 19.3119 19.3322 21.8736 21.9023 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561 0.3836 ( 3228 PWs) bands (ev): -30.7518 -30.7518 2.0918 2.0934 6.5332 6.5438 9.9541 9.9885 11.8251 11.8670 12.1126 12.1681 13.1149 13.1636 13.6697 13.7095 15.1307 15.1357 18.5053 18.5698 19.4604 19.5198 23.0498 23.0877 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561 0.5434 ( 3223 PWs) bands (ev): -30.7556 -30.7556 1.7765 1.7840 6.5691 6.5937 9.7367 9.7583 11.9378 11.9521 12.3863 12.4221 12.8200 12.8502 13.7340 13.7454 15.0629 15.0888 19.2740 19.3031 20.3084 20.3373 24.0065 24.0254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-1.3744 ( 3225 PWs) bands (ev): -30.7598 -30.7597 1.2349 1.2443 7.4096 7.4568 9.2546 9.2953 12.1827 12.2020 12.5122 12.5499 12.8042 12.8414 13.6852 13.7058 15.0770 15.1187 19.4873 19.5524 20.1238 20.1918 23.8978 23.9308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-1.2146 ( 3234 PWs) bands (ev): -30.7632 -30.7632 0.7887 0.7969 8.2658 8.3187 9.3031 9.3445 12.1535 12.2148 12.5241 12.5836 12.8423 12.8928 13.5635 13.6050 15.2913 15.3327 17.7133 17.7444 21.1739 21.2226 23.6059 23.6609 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-1.0548 ( 3232 PWs) bands (ev): -30.7647 -30.7646 0.6040 0.6113 8.3258 8.3302 10.1810 10.1927 11.6343 11.6475 12.6784 12.6993 12.8566 12.8946 13.4939 13.5504 15.6654 15.6888 16.5242 16.5529 22.0453 22.0808 23.3973 23.4104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-0.8950 ( 3234 PWs) bands (ev): -30.7637 -30.7636 0.7281 0.7360 8.3117 8.3509 9.4901 9.5163 12.0557 12.1087 12.5686 12.6192 12.8432 12.8913 13.5415 13.5873 15.3635 15.4030 17.3819 17.4115 21.4042 21.4531 23.5448 23.6011 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-0.7351 ( 3225 PWs) bands (ev): -30.7606 -30.7605 1.1303 1.1396 7.6236 7.6771 9.1798 9.2262 12.2275 12.2569 12.4893 12.5363 12.8242 12.8679 13.6632 13.6877 15.1001 15.1432 19.1733 19.2248 20.2956 20.3526 23.8501 23.8893 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.6561-0.5753 ( 3226 PWs) bands (ev): -30.7564 -30.7564 1.6747 1.6830 6.6877 6.7160 9.6435 9.6674 11.9803 11.9933 12.4539 12.4795 12.7838 12.8068 13.7343 13.7448 15.0569 15.0869 19.4048 19.4255 20.3577 20.3780 24.0294 24.0388 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376-0.3116 ( 3231 PWs) bands (ev): -30.7556 -30.7556 1.5118 1.5143 7.2663 7.2751 9.9045 9.9339 11.9295 11.9501 12.2778 12.3331 13.0018 13.0508 13.6081 13.6494 15.3888 15.4089 18.6573 18.7123 19.4346 19.4787 21.8188 21.8520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376-0.1518 ( 3230 PWs) bands (ev): -30.7564 -30.7564 1.1865 1.1903 8.5521 8.5772 9.6184 9.6690 11.8030 11.8509 12.4037 12.4291 12.8260 12.8606 13.6178 13.6751 15.8915 15.9155 17.3817 17.4250 19.3429 19.3725 21.0131 21.0637 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376 0.0080 ( 3242 PWs) bands (ev): -30.7567 -30.7567 1.0705 1.0743 9.2700 9.3375 9.5745 9.5885 11.4403 11.4981 12.5146 12.5406 12.6663 12.6785 13.6718 13.7327 16.2529 16.2778 16.6514 16.7017 19.8275 19.8347 20.4839 20.4960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376 0.1678 ( 3229 PWs) bands (ev): -30.7563 -30.7563 1.2114 1.2151 8.4241 8.4451 9.6423 9.6899 11.8422 11.8868 12.3849 12.4112 12.8545 12.8917 13.6108 13.6672 15.8371 15.8612 17.5123 17.5563 19.2993 19.3281 21.0880 21.1369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376 0.3276 ( 3230 PWs) bands (ev): -30.7556 -30.7556 1.5501 1.5523 7.1515 7.1604 9.9320 9.9599 11.9134 11.9325 12.2840 12.3393 12.9950 13.0429 13.6168 13.6550 15.3523 15.3707 18.7212 18.7707 19.5546 19.5961 21.9075 21.9414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376 0.4874 ( 3229 PWs) bands (ev): -30.7550 -30.7550 1.8686 1.8722 6.3718 6.3897 10.0016 10.0223 11.8054 11.8091 12.4329 12.4522 12.8143 12.8307 13.7251 13.7333 15.1302 15.1368 19.0823 19.0918 20.7571 20.7700 22.7749 22.8170 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376 0.6472 ( 3225 PWs) bands (ev): -30.7549 -30.7549 1.8535 1.8634 6.5437 6.5795 9.6106 9.6429 11.9903 12.0128 12.3254 12.3646 12.9159 12.9508 13.7353 13.7514 15.0067 15.0363 19.3356 19.3958 20.0642 20.1198 23.7302 23.7753 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376-1.2705 ( 3229 PWs) bands (ev): -30.7553 -30.7552 1.5799 1.5905 7.5716 7.6304 9.1631 9.2129 11.8856 11.9510 12.4157 12.4647 12.9781 13.0282 13.6329 13.6711 14.9870 15.0277 17.6487 17.6859 20.8221 20.8550 24.2225 24.2493 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376-1.1107 ( 3225 PWs) bands (ev): -30.7556 -30.7556 1.3704 1.3793 8.5546 8.5983 9.3332 9.3634 11.0883 11.1226 12.7210 12.7666 12.9060 12.9607 13.5107 13.5715 15.0668 15.0991 16.3607 16.3901 22.2170 22.2579 23.6013 23.6369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376-0.9509 ( 3221 PWs) bands (ev): -30.7556 -30.7556 1.3825 1.3916 8.5148 8.5703 9.2486 9.2902 11.1817 11.2208 12.6977 12.7459 12.9112 12.9671 13.5190 13.5779 15.0594 15.0932 16.4351 16.4651 22.0774 22.1167 23.6849 23.7213 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376-0.7911 ( 3227 PWs) bands (ev): -30.7552 -30.7552 1.6088 1.6195 7.4464 7.5022 9.1979 9.2454 11.9325 11.9995 12.3820 12.4318 12.9832 13.0318 13.6464 13.6823 14.9823 15.0228 17.8296 17.8682 20.6995 20.7329 24.2477 24.2742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376-0.6313 ( 3224 PWs) bands (ev): -30.7549 -30.7549 1.8721 1.8816 6.4807 6.5146 9.6601 9.6910 11.9657 11.9842 12.3438 12.3815 12.8968 12.9300 13.7401 13.7542 15.0159 15.0437 19.3776 19.4276 20.1413 20.1883 23.6228 23.6689 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.5376-0.4714 ( 3228 PWs) bands (ev): -30.7550 -30.7550 1.8479 1.8508 6.4119 6.4283 10.0180 10.0383 11.8026 11.8067 12.4193 12.4458 12.8258 12.8483 13.7165 13.7270 15.1462 15.1503 19.0449 19.0566 20.7006 20.7182 22.6949 22.7386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191-0.2078 ( 3245 PWs) bands (ev): -30.7637 -30.7637 0.5943 0.5979 8.7724 8.8142 9.6144 9.6648 12.1357 12.1701 12.5214 12.5634 12.9115 12.9216 13.6183 13.6676 15.9959 16.0151 18.5114 18.5598 18.8440 18.9007 20.9997 21.0424 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191-0.0479 ( 3244 PWs) bands (ev): -30.7658 -30.7658 0.3423 0.3459 9.1883 9.2314 10.1382 10.1670 11.9968 12.0216 12.3151 12.3522 12.8065 12.8501 13.8790 13.9447 16.6768 16.6956 17.2421 17.2737 18.7148 18.7380 20.9250 20.9442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191 0.1119 ( 3242 PWs) bands (ev): -30.7653 -30.7653 0.4062 0.4099 9.1697 9.2298 9.8182 9.8792 12.1265 12.1690 12.3484 12.3904 12.8278 12.8646 13.7872 13.8469 16.3920 16.4099 17.7721 17.8020 18.6628 18.6855 20.9340 20.9686 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 = 0.1000-0.4191 0.2717 ( 3243 PWs) bands (ev): -30.7623 -30.7623 0.7760 0.7795 8.2799 8.3024 9.7188 9.7501 12.0748 12.0982 12.5658 12.6084 12.9651 12.9867 13.5461 13.5897 15.7567 15.7774 18.5530 18.5758 19.5702 19.6028 21.0885 21.1280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191 0.4315 ( 3231 PWs) bands (ev): -30.7578 -30.7578 1.3747 1.3758 7.0950 7.1101 10.0251 10.0468 11.8635 11.8667 12.5278 12.5459 12.9177 12.9287 13.6052 13.6270 15.3623 15.3727 18.7639 18.7747 20.7211 20.7320 21.4940 21.5308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191 0.5913 ( 3226 PWs) bands (ev): -30.7533 -30.7533 1.9758 1.9812 6.4622 6.4884 9.9337 9.9667 11.8725 11.8889 12.2568 12.3053 13.0157 13.0623 13.6945 13.7253 15.1457 15.1550 19.0774 19.1262 19.7651 19.8207 22.1449 22.1972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191 0.7511 ( 3231 PWs) bands (ev): -30.7497 -30.7497 2.2375 2.2485 6.8132 6.8549 9.5054 9.5463 11.7389 11.8197 12.3146 12.3521 13.0941 13.1463 13.6913 13.7412 14.9533 14.9784 17.6147 17.6550 20.2227 20.2421 22.8029 22.8489 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 = 0.1000-0.4191-1.1666 ( 3222 PWs) bands (ev): -30.7476 -30.7475 2.1971 2.2070 8.0463 8.1011 9.1572 9.2027 10.8771 10.9483 12.6759 12.7256 12.9642 13.0256 13.6207 13.6857 14.8116 14.8405 16.3026 16.3381 21.4803 21.5185 22.7746 22.7957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191-1.0068 ( 3220 PWs) bands (ev): -30.7471 -30.7471 2.1647 2.1735 8.8426 8.9055 9.0635 9.1138 10.1788 10.2258 12.7955 12.8237 12.9423 12.9989 13.5950 13.6670 14.7446 14.7718 16.0161 16.0480 22.0193 22.0899 23.0495 23.0686 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191-0.8470 ( 3226 PWs) bands (ev): -30.7482 -30.7482 2.2270 2.2378 7.4848 7.5343 9.2710 9.3147 11.3102 11.3889 12.5416 12.5859 13.0180 13.0745 13.6508 13.7099 14.8663 14.8955 16.7082 16.7463 20.9522 20.9773 22.8074 22.8427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191-0.6872 ( 3222 PWs) bands (ev): -30.7510 -30.7509 2.1851 2.1947 6.5428 6.5786 9.6854 9.7238 11.8862 11.9546 12.2019 12.2382 13.0963 13.1469 13.7032 13.7458 15.0246 15.0442 18.3359 18.3789 19.8400 19.8670 22.6033 22.6527 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 = 0.1000-0.4191-0.5274 ( 3227 PWs) bands (ev): -30.7550 -30.7550 1.7584 1.7608 6.6171 6.6376 10.0355 10.0636 11.8263 11.8332 12.3710 12.4151 12.9464 12.9855 13.6701 13.6943 15.2293 15.2314 18.9840 19.0039 20.2973 20.3307 21.8504 21.8998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.4191-0.3676 ( 3235 PWs) bands (ev): -30.7597 -30.7597 1.1174 1.1198 7.5308 7.5454 9.9230 9.9446 11.9452 11.9528 12.5647 12.5929 12.9510 12.9700 13.5552 13.5845 15.4840 15.5009 18.6510 18.6640 20.4951 20.5068 21.3017 21.3356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006-0.1039 ( 3249 PWs) bands (ev): -30.7736 -30.7736 -0.1854 -0.1823 9.0368 9.0682 10.5133 10.5438 12.1751 12.2019 12.4155 12.4536 13.2399 13.2975 13.9665 14.0399 16.7822 16.7971 17.8179 17.8469 18.5362 18.5604 21.4276 21.4500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006 0.0559 ( 3242 PWs) bands (ev): -30.7743 -30.7743 -0.2384 -0.2353 8.9987 9.0260 10.7575 10.7829 12.1731 12.1949 12.2957 12.3253 13.2434 13.3017 14.0830 14.1657 16.9971 17.0185 17.7194 17.7511 18.2012 18.2409 21.5493 21.5640 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006 0.2157 ( 3250 PWs) bands (ev): -30.7705 -30.7705 0.0594 0.0627 9.1355 9.2057 9.7597 9.8309 12.1556 12.1773 12.6928 12.7345 13.2404 13.2881 13.6021 13.6504 16.3100 16.3203 17.9298 17.9550 19.6410 19.6684 21.0751 21.1074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006 0.3756 ( 3239 PWs) bands (ev): -30.7634 -30.7634 0.6824 0.6853 8.2826 8.3122 9.7789 9.8129 12.0478 12.0602 12.6559 12.6891 13.0990 13.1115 13.4827 13.5244 15.8043 15.8197 18.2432 18.2590 20.2534 20.2839 20.8657 20.9044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006 0.5354 ( 3231 PWs) bands (ev): -30.7550 -30.7550 1.5457 1.5459 7.2372 7.2598 10.0079 10.0469 11.9006 11.9079 12.3334 12.3880 13.0208 13.0727 13.6530 13.6996 15.5156 15.5223 18.7064 18.7337 19.2804 19.3092 20.8319 20.8621 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006 0.6952 ( 3221 PWs) bands (ev): -30.7473 -30.7473 2.4086 2.4154 6.7765 6.8082 9.7547 9.8091 11.6802 11.7728 12.3356 12.3636 13.1135 13.1593 13.7299 13.7842 15.2191 15.2220 17.5806 17.6161 19.5854 19.6093 21.1550 21.1945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006 0.8550 ( 3221 PWs) bands (ev): -30.7419 -30.7419 2.8943 2.9042 7.3063 7.3426 9.3579 9.4227 10.9519 11.0667 12.6822 12.7368 12.9667 13.0026 13.7331 13.7974 14.8924 14.9056 16.3718 16.4164 20.4576 20.5015 21.3493 21.3698 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006-1.0628 ( 3211 PWs) bands (ev): -30.7396 -30.7396 3.0020 3.0086 8.5150 8.5254 9.0186 9.0894 9.8550 9.9607 12.7137 12.7350 13.0634 13.1311 13.7357 13.8132 14.6626 14.6810 15.9450 15.9828 20.6559 20.7344 21.7744 21.8337 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006-0.9029 ( 3215 PWs) bands (ev): -30.7408 -30.7408 2.9523 2.9613 7.6503 7.6832 9.2594 9.3288 10.6005 10.7171 12.7320 12.7775 12.9639 13.0097 13.7301 13.7991 14.8044 14.8201 16.1650 16.2076 20.6054 20.6695 21.4352 21.4587 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006-0.7431 ( 3228 PWs) bands (ev): -30.7454 -30.7454 2.6068 2.6154 6.8218 6.8564 9.6307 9.6882 11.5295 11.6333 12.4332 12.4705 13.0914 13.1300 13.7375 13.7940 15.1174 15.1232 17.1461 17.1870 19.8488 19.8734 21.2599 21.3040 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006-0.5833 ( 3226 PWs) bands (ev): -30.7525 -30.7525 1.8212 1.8230 7.0165 7.0410 9.9771 10.0215 11.8712 11.8949 12.2719 12.3103 13.0591 13.1131 13.6849 13.7341 15.4354 15.4393 18.5985 18.6356 19.1229 19.1658 20.8908 20.9222 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006-0.4235 ( 3244 PWs) bands (ev): -30.7609 -30.7609 0.9227 0.9251 7.9346 7.9588 9.8874 9.9186 11.9915 12.0086 12.5711 12.6121 13.0266 13.0528 13.5423 13.5839 15.7044 15.7179 18.3813 18.3955 20.0462 20.0749 20.8447 20.8829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.3006-0.2637 ( 3244 PWs) bands (ev): -30.7687 -30.7686 0.2144 0.2177 9.0321 9.1108 9.5819 9.6623 12.1372 12.1536 12.7345 12.7756 13.2546 13.2866 13.4687 13.5146 16.1299 16.1433 17.9983 18.0206 20.0602 20.0855 20.9478 20.9787 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.1821 0.0000 ( 3232 PWs) bands (ev): -30.7815 -30.7815 -0.6744 -0.6722 8.7302 8.7456 11.3322 11.3608 12.2368 12.2523 12.3859 12.4033 13.6740 13.7094 14.2134 14.2970 17.1278 17.1521 18.2058 18.2267 18.4361 18.4787 22.4281 22.4324 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 = 0.1000-0.1821 0.1598 ( 3243 PWs) bands (ev): -30.7785 -30.7785 -0.4884 -0.4858 8.8830 8.9058 10.8000 10.8254 12.1300 12.1633 12.6745 12.7042 13.6041 13.6413 13.9009 13.9679 16.8734 16.8856 17.5922 17.6174 19.6682 19.6869 21.6135 21.6347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.1821 0.3196 ( 3251 PWs) bands (ev): -30.7704 -30.7704 0.0611 0.0643 9.1755 9.2556 9.7648 9.8450 12.1457 12.1677 12.6651 12.7067 13.2304 13.2816 13.6760 13.7287 16.3947 16.4012 17.7435 17.7694 19.5662 19.5933 20.9969 21.0292 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.1821 0.4794 ( 3241 PWs) bands (ev): -30.7593 -30.7593 0.9408 0.9431 8.4095 8.4465 9.8235 9.8741 12.0060 12.0286 12.4480 12.4945 12.8683 12.8842 13.7734 13.8256 16.1169 16.1236 18.2634 18.2833 18.5429 18.5766 20.2937 20.3373 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.1821 0.6393 ( 3235 PWs) bands (ev): -30.7481 -30.7481 2.0541 2.0556 7.5220 7.5499 9.7894 9.8583 11.6224 11.7124 12.4394 12.4699 12.9705 13.0141 13.8172 13.8620 15.8215 15.8331 17.4404 17.4662 19.0450 19.0715 19.8964 19.9159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.1821 0.7991 ( 3215 PWs) bands (ev): -30.7393 -30.7393 3.1349 3.1426 7.2150 7.2450 9.3514 9.4335 11.0913 11.2167 12.6834 12.7420 13.0597 13.0919 13.8166 13.8620 15.3060 15.3174 16.5738 16.6206 19.4400 19.4757 20.1146 20.1445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1000-0.1821 0.9589 ( 3223 PWs) bands (ev): -30.7345 -30.7345 3.7375 3.7433 7.8157 7.8254 8.7835 8.8489 10.3055 10.4046 12.6137 12.6309 13.3517 13.4066 13.8420 13.9117 14.8296 14.8345 16.1622 16.2005 19.2779 19.3488 20.2522 20.3150 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272 0.2078 ( 3237 PWs) bands (ev): -30.7762 -30.7762 -0.3162 -0.3128 8.8122 8.8325 10.4901 10.5157 12.1892 12.2184 12.7578 12.7910 13.4608 13.4948 13.5683 13.6076 16.5139 16.5252 18.2987 18.3231 19.6316 19.6486 21.6175 21.6414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272 0.3676 ( 3251 PWs) bands (ev): -30.7670 -30.7670 0.3354 0.3392 8.9936 9.0520 9.5838 9.6474 12.1783 12.2071 12.6118 12.6494 12.9974 13.0274 13.5852 13.6331 16.0695 16.0886 18.4832 18.5118 19.1086 19.1495 21.1622 21.2016 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272 0.5274 ( 3228 PWs) bands (ev): -30.7557 -30.7557 1.2933 1.2957 8.0807 8.1041 9.8091 9.8579 11.9056 11.9312 12.3630 12.3911 12.9063 12.9438 13.6833 13.7363 15.8620 15.8785 17.9702 18.0126 18.8805 18.9035 20.6667 20.7099 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272 0.6872 ( 3221 PWs) bands (ev): -30.7451 -30.7451 2.4208 2.4231 7.3419 7.3654 9.6866 9.7620 11.4422 11.5477 12.4492 12.4901 13.0888 13.1220 13.7892 13.8424 15.5728 15.5897 16.9902 17.0411 19.0098 19.0283 20.6035 20.6290 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272 0.8470 ( 3221 PWs) bands (ev): -30.7374 -30.7374 3.3781 3.3855 7.3023 7.3261 9.2188 9.3036 10.8548 10.9758 12.6720 12.7103 13.1805 13.1959 13.8498 13.9063 15.1025 15.1104 16.3691 16.4223 19.1995 19.2266 20.2156 20.2346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272 1.0068 ( 3214 PWs) bands (ev): -30.7340 -30.7340 3.7775 3.7798 8.0910 8.1018 8.5509 8.5993 10.2568 10.3344 12.6785 12.6939 13.3067 13.3577 13.8743 13.9377 14.7735 14.7839 16.1752 16.2149 19.1662 19.2276 20.4381 20.4918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272 1.1666 ( 3220 PWs) bands (ev): -30.7355 -30.7354 3.6117 3.6184 7.5479 7.5651 8.9881 9.0668 10.5580 10.6698 12.6891 12.7138 13.2437 13.2744 13.8461 13.9072 14.9407 14.9432 16.2513 16.2981 19.2154 19.2642 20.2280 20.2631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272-0.7511 ( 3221 PWs) bands (ev): -30.7416 -30.7415 2.8512 2.8561 7.2194 7.2444 9.5188 9.6004 11.2435 11.3605 12.5538 12.6007 13.1211 13.1482 13.8341 13.8872 15.3879 15.4038 16.6815 16.7376 19.0697 19.0883 20.4789 20.5078 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272-0.5913 ( 3220 PWs) bands (ev): -30.7512 -30.7512 1.7374 1.7385 7.7276 7.7495 9.8273 9.8870 11.7133 11.7793 12.3566 12.3802 12.9845 13.0253 13.7186 13.7727 15.7743 15.7897 17.5617 17.6044 18.9554 18.9718 20.5986 20.6351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272-0.4315 ( 3246 PWs) bands (ev): -30.7626 -30.7626 0.6864 0.6900 8.6774 8.7142 9.6446 9.6916 12.1144 12.1485 12.4890 12.5342 12.8941 12.9040 13.6288 13.6786 15.9748 15.9938 18.4861 18.5410 18.7918 18.8508 20.9438 20.9873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272-0.2717 ( 3240 PWs) bands (ev): -30.7730 -30.7730 -0.0965 -0.0929 8.9563 8.9871 10.0633 10.0980 12.1939 12.2187 12.7394 12.7794 13.2853 13.3240 13.5359 13.5812 16.2902 16.3055 18.3568 18.3807 19.5993 19.6224 21.4130 21.4419 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272-0.1119 ( 3242 PWs) bands (ev): -30.7797 -30.7797 -0.5380 -0.5352 8.6370 8.6510 11.0290 11.0523 12.2098 12.2459 12.6337 12.6644 13.5664 13.6093 13.7663 13.8084 16.9916 17.0027 18.2347 18.2587 19.0748 19.0929 22.2220 22.2441 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.1272 0.0479 ( 3235 PWs) bands (ev): -30.7809 -30.7809 -0.6124 -0.6099 8.5737 8.5862 11.2466 11.2713 12.2658 12.3005 12.4998 12.5308 13.6014 13.6429 13.8650 13.9121 17.3959 17.4095 18.1142 18.1392 18.6422 18.6694 22.6472 22.6605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087 0.3116 ( 3233 PWs) bands (ev): -30.7731 -30.7731 -0.0996 -0.0956 8.7317 8.7477 10.4821 10.5046 12.2797 12.3146 12.4973 12.5353 13.0744 13.1119 13.6461 13.6929 16.4544 16.4756 18.1021 18.1270 19.1756 19.1976 22.0928 22.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087 0.4714 ( 3241 PWs) bands (ev): -30.7605 -30.7605 0.7964 0.8006 9.0605 9.1138 9.5969 9.6572 11.8858 11.9202 12.4232 12.4436 12.7442 12.7555 13.6404 13.6971 16.1155 16.1392 17.2487 17.2865 19.4638 19.4931 21.0393 21.0847 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087 0.6313 ( 3226 PWs) bands (ev): -30.7475 -30.7475 1.9777 1.9797 8.3289 8.3540 9.5246 9.6029 11.2375 11.3419 12.5396 12.5831 12.8931 12.9272 13.6871 13.7468 15.8447 15.8739 16.6899 16.7484 19.2670 19.2867 20.5540 20.5983 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087 0.7911 ( 3215 PWs) bands (ev): -30.7370 -30.7370 3.2776 3.2818 7.7186 7.7389 9.0339 9.1165 10.8700 10.9815 12.6902 12.7209 13.1803 13.1982 13.8923 13.9342 15.3699 15.3989 16.6493 16.7041 18.6036 18.6118 19.6180 19.6436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087 0.9509 ( 3214 PWs) bands (ev): -30.7311 -30.7311 4.2750 4.2816 7.6836 7.6922 8.3445 8.3905 10.5087 10.5712 12.7530 12.7625 13.4788 13.4881 13.9550 13.9739 14.9313 14.9440 16.8060 16.8348 18.2814 18.3236 19.1845 19.2198 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087 1.1107 ( 3211 PWs) bands (ev): -30.7308 -30.7308 4.3317 4.3378 7.7189 7.7273 8.2741 8.3144 10.4844 10.5406 12.7570 12.7660 13.4927 13.5015 13.9614 13.9782 14.9018 14.9126 16.8127 16.8402 18.2652 18.3104 19.2032 19.2411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087 1.2705 ( 3213 PWs) bands (ev): -30.7362 -30.7362 3.4011 3.4060 7.6843 7.7042 8.9692 9.0498 10.8329 10.9414 12.6996 12.7266 13.2148 13.2309 13.9068 13.9467 15.3188 15.3470 16.6665 16.7188 18.5540 18.5627 19.5164 19.5407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087-0.6472 ( 3225 PWs) bands (ev): -30.7463 -30.7463 2.1068 2.1083 8.2506 8.2748 9.4962 9.5772 11.1932 11.3022 12.5559 12.6007 12.9195 12.9523 13.7028 13.7614 15.8062 15.8363 16.6619 16.7220 19.2002 19.2169 20.5224 20.5630 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087-0.4874 ( 3239 PWs) bands (ev): -30.7592 -30.7592 0.9033 0.9074 9.0251 9.0777 9.5692 9.6317 11.8106 11.8511 12.4345 12.4555 12.7394 12.7565 13.6402 13.6979 16.0920 16.1157 17.1750 17.2144 19.4849 19.5155 20.9487 20.9966 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087-0.3276 ( 3236 PWs) bands (ev): -30.7720 -30.7719 -0.0250 -0.0210 8.7829 8.8007 10.3843 10.4076 12.2800 12.3192 12.4595 12.5002 13.0215 13.0585 13.6441 13.6920 16.4069 16.4288 18.0123 18.0384 19.2009 19.2230 21.9908 22.0202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087-0.1678 ( 3240 PWs) bands (ev): -30.7815 -30.7815 -0.6082 -0.6055 8.3323 8.3395 11.1942 11.2150 12.3295 12.3627 12.7141 12.7366 13.4222 13.4482 13.7775 13.8062 17.0962 17.1083 18.7384 18.7554 19.0176 19.0363 22.7265 22.7495 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087-0.0080 ( 3229 PWs) bands (ev): -30.7852 -30.7852 -0.8178 -0.8163 8.1485 8.1524 11.4682 11.4808 12.5498 12.5557 12.6650 12.6694 13.5065 13.5271 13.9466 13.9618 18.1577 18.1601 18.3967 18.4099 18.9043 18.9110 23.0005 23.0019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.0087 0.1518 ( 3236 PWs) bands (ev): -30.7821 -30.7821 -0.6463 -0.6437 8.2997 8.3063 11.2469 11.2671 12.3471 12.3799 12.7224 12.7423 13.4386 13.4633 13.8038 13.8301 17.1932 17.2044 18.7713 18.7865 18.9989 19.0157 22.7614 22.7830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 0.4155 ( 3237 PWs) bands (ev): -30.7654 -30.7654 0.4449 0.4500 8.8223 8.8412 10.2179 10.2304 11.8639 11.8730 12.4616 12.4917 12.7781 12.7856 13.5635 13.6169 16.3082 16.3278 16.7338 16.7738 20.3212 20.3277 21.9896 21.9949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 0.5753 ( 3233 PWs) bands (ev): -30.7516 -30.7516 1.5498 1.5539 9.1713 9.2390 9.3041 9.3052 11.0340 11.1135 12.6548 12.6660 12.7362 12.7664 13.5272 13.5980 15.7585 15.7843 16.4519 16.5003 20.6243 20.6283 20.6817 20.7061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 0.7351 ( 3215 PWs) bands (ev): -30.7395 -30.7395 2.8773 2.8775 8.4233 8.4352 8.8868 8.9676 10.7277 10.8381 12.7855 12.8255 12.9828 13.0101 13.7282 13.7830 15.3246 15.3514 16.4969 16.5502 19.5387 19.5436 19.7133 19.7534 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 0.8950 ( 3212 PWs) bands (ev): -30.7314 -30.7314 4.1707 4.1772 7.9098 7.9214 8.1979 8.2486 10.5719 10.6362 12.8812 12.8826 13.3356 13.3531 13.9063 13.9186 14.9846 15.0044 17.0649 17.0991 18.4223 18.4477 18.8247 18.8285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 1.0548 ( 3209 PWs) bands (ev): -30.7290 -30.7290 4.7338 4.7354 7.7436 7.7477 7.8957 7.9000 10.4834 10.4911 12.9637 12.9648 13.4936 13.4959 13.8430 13.8431 14.8570 14.8597 17.4344 17.4374 18.3304 18.3324 18.6094 18.6100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 1.2146 ( 3212 PWs) bands (ev): -30.7326 -30.7326 3.9379 3.9434 7.9864 7.9975 8.3275 8.3876 10.6089 10.6852 12.8555 12.8620 13.2709 13.2909 13.9040 13.9234 15.0420 15.0642 16.9149 16.9553 18.5850 18.6145 18.9311 18.9355 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 1.3744 ( 3226 PWs) bands (ev): -30.7417 -30.7417 2.6024 2.6034 8.5634 8.5765 9.0119 9.0931 10.7537 10.8669 12.7711 12.8198 12.9118 12.9410 13.6655 13.7281 15.4046 15.4317 16.4526 16.5061 19.7317 19.7367 20.0489 20.0886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098-0.5434 ( 3237 PWs) bands (ev): -30.7544 -30.7544 1.3066 1.3112 9.1834 9.2464 9.4422 9.4476 11.1726 11.2361 12.6032 12.6226 12.7201 12.7515 13.5245 13.5921 15.8569 15.8819 16.4855 16.5321 20.6370 20.6449 20.8908 20.8996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098-0.3836 ( 3239 PWs) bands (ev): -30.7681 -30.7680 0.2605 0.2654 8.7016 8.7162 10.4090 10.4238 12.0282 12.0291 12.4466 12.4778 12.8278 12.8287 13.5780 13.6288 16.4395 16.4572 16.8254 16.8640 20.2360 20.2428 22.2782 22.2831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098-0.2237 ( 3232 PWs) bands (ev): -30.7795 -30.7794 -0.4536 -0.4501 8.1462 8.1509 11.1739 11.1940 12.4828 12.4926 12.5877 12.5913 13.1816 13.1875 13.7280 13.7660 17.2360 17.2437 17.4786 17.5091 19.8592 19.8683 23.5594 23.5607 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098-0.0639 ( 3234 PWs) bands (ev): -30.7857 -30.7856 -0.7980 -0.7969 7.8418 7.8428 11.4723 11.4792 12.6899 12.6905 12.7975 12.8011 13.2688 13.2725 13.9985 14.0082 18.0481 18.0524 18.2852 18.2956 19.5348 19.5412 22.8332 22.8340 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 0.0959 ( 3235 PWs) bands (ev): -30.7849 -30.7849 -0.7596 -0.7581 7.8766 7.8782 11.4440 11.4544 12.6608 12.6631 12.7685 12.7725 13.2679 13.2728 13.9596 13.9745 17.9239 17.9290 18.1483 18.1638 19.5904 19.5987 23.0604 23.0610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.1098 0.2557 ( 3231 PWs) bands (ev): -30.7775 -30.7775 -0.3395 -0.3357 8.2425 8.2483 11.0570 11.0774 12.4361 12.4392 12.5317 12.5428 13.1196 13.1264 13.6790 13.7212 17.0590 17.0684 17.3227 17.3553 19.9291 19.9377 23.3716 23.3740 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 0.5194 ( 3230 PWs) bands (ev): -30.7560 -30.7560 1.2547 1.2610 8.7625 8.7863 9.3515 9.3819 11.4541 11.5083 12.5326 12.5763 12.8416 12.8927 13.4761 13.5402 15.5166 15.5476 16.7362 16.7771 20.7174 20.7541 22.2497 22.3017 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 0.6792 ( 3222 PWs) bands (ev): -30.7438 -30.7438 2.4591 2.4628 8.1007 8.1126 9.3840 9.4637 10.8261 10.9349 12.6235 12.6703 13.0498 13.0994 13.5825 13.6655 15.2257 15.2531 16.3267 16.3845 19.8569 19.8726 21.1947 21.2191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 0.8390 ( 3216 PWs) bands (ev): -30.7347 -30.7347 3.6700 3.6744 7.6498 7.6625 8.8526 8.9256 10.6500 10.7451 12.8139 12.8461 13.1670 13.1886 13.9236 13.9664 14.9823 14.9979 16.4688 16.5212 18.7164 18.7338 19.9324 19.9558 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 0.9988 ( 3208 PWs) bands (ev): -30.7304 -30.7304 4.3963 4.4021 7.7893 7.8025 8.1357 8.1688 10.5183 10.5659 13.0675 13.0856 13.1819 13.2039 13.9092 13.9179 14.8851 14.8962 17.0555 17.0827 18.2957 18.3211 19.4196 19.4365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 1.1586 ( 3206 PWs) bands (ev): -30.7319 -30.7319 4.1344 4.1407 7.6397 7.6505 8.4868 8.5407 10.5729 10.6428 12.9403 12.9648 13.1968 13.2215 13.9471 13.9667 14.9203 14.9291 16.7891 16.8259 18.3655 18.3826 19.5996 19.6251 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 1.3185 ( 3212 PWs) bands (ev): -30.7387 -30.7387 3.0873 3.0898 7.8151 7.8276 9.1755 9.2604 10.7189 10.8315 12.7076 12.7492 13.1188 13.1458 13.7741 13.8401 15.0860 15.1097 16.3069 16.3675 19.2702 19.2856 20.4587 20.4799 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 1.4783 ( 3219 PWs) bands (ev): -30.7497 -30.7496 1.8374 1.8427 8.4609 8.4756 9.4030 9.4567 11.0735 11.1537 12.5648 12.6117 12.9455 13.0047 13.4826 13.5629 15.3732 15.4023 16.4819 16.5314 20.3560 20.3819 21.8783 21.9205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283-0.4395 ( 3234 PWs) bands (ev): -30.7626 -30.7625 0.7314 0.7379 8.6715 8.6883 9.6504 9.6615 11.8795 11.9241 12.5184 12.5541 12.7981 12.8366 13.5006 13.5536 15.6661 15.6984 17.0634 17.0973 20.8916 20.9330 22.5743 22.6247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283-0.2797 ( 3234 PWs) bands (ev): -30.7744 -30.7744 -0.0881 -0.0829 8.0973 8.1026 10.6069 10.6200 12.4525 12.4659 12.6542 12.6939 12.9159 12.9606 13.6046 13.6519 16.0827 16.1097 17.8137 17.8359 20.8095 20.8452 23.3389 23.3803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283-0.1199 ( 3231 PWs) bands (ev): -30.7823 -30.7822 -0.5588 -0.5558 7.6932 7.6947 11.2591 11.2738 12.6267 12.6314 12.9113 12.9172 13.0462 13.0622 13.8573 13.8834 16.8566 16.8671 18.1639 18.1760 20.5522 20.5594 23.3738 23.3924 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 0.0400 ( 3233 PWs) bands (ev): -30.7840 -30.7839 -0.6540 -0.6518 7.6079 7.6084 11.3840 11.3947 12.7278 12.7448 12.8836 12.8876 13.0788 13.0997 13.9381 13.9570 17.3654 17.3678 17.9080 17.9200 20.4883 20.5026 23.2585 23.2647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 0.1998 ( 3231 PWs) bands (ev): -30.7790 -30.7790 -0.3694 -0.3652 7.8598 7.8627 10.9975 11.0136 12.5270 12.5358 12.8214 12.8546 12.9963 13.0351 13.7245 13.7629 16.4144 16.4339 18.1048 18.1213 20.6751 20.6988 23.4975 23.5324 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.2283 0.3596 ( 3233 PWs) bands (ev): -30.7688 -30.7688 0.2808 0.2869 8.3848 8.3942 10.1332 10.1416 12.2587 12.3001 12.5286 12.5556 12.8322 12.8676 13.5374 13.5866 15.8445 15.8758 17.4370 17.4650 20.8990 20.9394 22.9685 23.0134 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 0.6233 ( 3224 PWs) bands (ev): -30.7486 -30.7486 2.1425 2.1496 7.4470 7.4712 9.5159 9.5614 11.4183 11.4962 12.3958 12.4355 13.1407 13.2071 13.5729 13.6482 15.0911 15.1205 16.9026 16.9532 20.0087 20.0265 22.5908 22.6174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 0.7831 ( 3219 PWs) bands (ev): -30.7399 -30.7399 3.0883 3.0929 7.2006 7.2159 9.4478 9.5345 10.9973 11.1110 12.5474 12.5817 13.2345 13.2648 13.8697 13.9459 15.0293 15.0360 16.3501 16.4194 19.1008 19.1108 20.8423 20.8713 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 0.9429 ( 3210 PWs) bands (ev): -30.7349 -30.7349 3.6100 3.6147 7.6908 7.7068 8.8413 8.9155 10.7124 10.8102 12.7765 12.8034 13.2038 13.2191 13.9197 13.9576 15.1007 15.1230 16.5979 16.6492 18.6127 18.6218 19.6077 19.6277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 1.1027 ( 3211 PWs) bands (ev): -30.7344 -30.7344 3.6529 3.6575 7.8497 7.8664 8.6858 8.7547 10.6756 10.7681 12.8067 12.8278 13.2029 13.2194 13.9015 13.9338 15.1046 15.1281 16.6898 16.7376 18.6487 18.6622 19.3793 19.3945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 1.2625 ( 3216 PWs) bands (ev): -30.7386 -30.7386 3.2349 3.2395 7.2399 7.2549 9.3593 9.4477 10.9347 11.0490 12.5954 12.6298 13.2271 13.2513 13.9186 13.9887 15.0423 15.0449 16.3292 16.3985 18.9397 18.9490 20.5702 20.5987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 1.4223 ( 3222 PWs) bands (ev): -30.7467 -30.7466 2.3487 2.3552 7.3474 7.3682 9.5569 9.6121 11.3116 11.3986 12.4103 12.4484 13.1856 13.2526 13.6018 13.6854 15.0710 15.0972 16.7495 16.8043 19.8313 19.8459 22.2020 22.2294 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 1.5821 ( 3229 PWs) bands (ev): -30.7572 -30.7571 1.3243 1.3329 7.9649 8.0152 9.2050 9.2471 11.9243 11.9860 12.4136 12.4664 12.9264 12.9785 13.5743 13.6165 15.1688 15.2083 17.6122 17.6510 20.6335 20.6700 23.6303 23.6723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468-0.3356 ( 3231 PWs) bands (ev): -30.7678 -30.7678 0.4575 0.4655 8.0859 8.1268 9.5362 9.5649 12.4148 12.4538 12.6251 12.6853 12.8415 12.8920 13.5978 13.6376 15.3221 15.3651 18.4419 18.4686 21.1767 21.2275 23.5503 23.6050 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468-0.1758 ( 3227 PWs) bands (ev): -30.7759 -30.7759 -0.1152 -0.1093 7.7032 7.7165 10.5696 10.5756 12.5305 12.5601 12.7869 12.8676 12.9969 13.0396 13.6662 13.7113 15.7480 15.7806 18.3023 18.3166 21.5035 21.5187 23.5922 23.6348 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468-0.0160 ( 3224 PWs) bands (ev): -30.7793 -30.7793 -0.3364 -0.3319 7.5250 7.5293 11.1395 11.1547 12.5827 12.6418 12.8235 12.8441 13.0039 13.0633 13.7470 13.7907 16.6278 16.6392 17.1339 17.1567 21.6356 21.6712 24.4097 24.4202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 0.1438 ( 3224 PWs) bands (ev): -30.7770 -30.7770 -0.1886 -0.1831 7.6451 7.6557 10.7438 10.7537 12.5428 12.5769 12.8021 12.8861 12.9997 13.0503 13.6889 13.7334 15.8921 15.9211 18.0958 18.1111 21.5456 21.5719 23.7341 23.7786 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3468 0.3036 ( 3230 PWs) bands (ev): -30.7697 -30.7697 0.3169 0.3245 8.0092 8.0417 9.7398 9.7590 12.4562 12.4833 12.6743 12.7390 12.8717 12.9199 13.6037 13.6456 15.3760 15.4181 18.5337 18.5564 21.2533 21.2979 23.4976 23.5505 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 = 0.2000 0.3468 0.4635 ( 3230 PWs) bands (ev): -30.7594 -30.7593 1.1323 1.1410 8.0789 8.1381 9.1504 9.2003 12.0517 12.1160 12.4343 12.4936 12.8854 12.9367 13.5804 13.6194 15.1902 15.2314 17.7986 17.8353 20.7650 20.8067 23.6797 23.7270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197-0.3116 ( 3226 PWs) bands (ev): -30.7460 -30.7460 2.5425 2.5477 6.8064 6.8288 9.7418 9.8026 11.5232 11.6154 12.2964 12.3297 13.2410 13.2917 13.7261 13.7968 15.1188 15.1231 17.1641 17.2182 19.3416 19.3612 21.7811 21.8152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197-0.1518 ( 3215 PWs) bands (ev): -30.7415 -30.7415 2.7486 2.7508 7.5895 7.6092 9.4443 9.5306 11.1245 11.2406 12.5716 12.6158 13.1068 13.1303 13.8199 13.8760 15.5004 15.5283 16.5781 16.6435 18.8700 18.8802 20.4307 20.4561 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197 0.0080 ( 3218 PWs) bands (ev): -30.7401 -30.7401 2.7695 2.7706 8.4260 8.4387 8.9217 9.0081 10.8863 11.0025 12.7051 12.7324 13.0092 13.0360 13.7952 13.8357 15.6079 15.6380 16.7366 16.7899 18.9565 18.9653 19.6181 19.6533 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197 0.1678 ( 3213 PWs) bands (ev): -30.7418 -30.7418 2.7409 2.7433 7.4863 7.5056 9.4932 9.5785 11.1657 11.2805 12.5451 12.5885 13.1269 13.1496 13.8211 13.8792 15.4630 15.4887 16.5902 16.6559 18.8933 18.9045 20.5459 20.5710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197 0.3276 ( 3222 PWs) bands (ev): -30.7466 -30.7466 2.5011 2.5068 6.7695 6.7927 9.7448 9.8017 11.5612 11.6503 12.2752 12.3087 13.2375 13.2920 13.7095 13.7798 15.0957 15.1023 17.2629 17.3155 19.4085 19.4288 21.9502 21.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197 0.4874 ( 3230 PWs) bands (ev): -30.7535 -30.7535 1.8800 1.8903 6.8747 6.9151 9.4685 9.5048 11.9690 12.0372 12.2383 12.2894 13.0301 13.0753 13.6864 13.7187 14.9881 15.0215 18.3683 18.4155 20.1313 20.1660 23.8607 23.9004 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197 0.6472 ( 3230 PWs) bands (ev): -30.7613 -30.7613 1.1147 1.1258 7.5351 7.6106 9.0134 9.0815 12.2677 12.2906 12.5893 12.6233 12.8421 12.8793 13.7044 13.7261 14.9662 15.0150 19.2618 19.2963 20.7648 20.8065 24.4166 24.4406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197-1.2705 ( 3225 PWs) bands (ev): -30.7681 -30.7680 0.4989 0.5082 7.7841 7.8347 9.4905 9.5289 12.4106 12.4358 12.7525 12.8183 12.8842 12.9316 13.6528 13.6892 15.1102 15.1605 18.5596 18.5792 21.7408 21.7793 24.2505 24.3036 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197-1.1107 ( 3230 PWs) bands (ev): -30.7720 -30.7719 0.1745 0.1818 7.6354 7.6506 10.5343 10.5431 12.2034 12.2356 12.8314 12.8649 12.9810 13.0309 13.5941 13.6502 15.6167 15.6504 16.9828 17.0045 22.7060 22.7657 24.7836 24.8399 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197-0.9509 ( 3230 PWs) bands (ev): -30.7717 -30.7717 0.1919 0.1994 7.6459 7.6630 10.4539 10.4602 12.2340 12.2685 12.8218 12.8617 12.9753 13.0257 13.5978 13.6524 15.5497 15.5862 17.1189 17.1402 22.6514 22.7126 24.6977 24.7606 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 = 0.2000-0.7197-0.7911 ( 3225 PWs) bands (ev): -30.7675 -30.7675 0.5488 0.5583 7.7940 7.8504 9.3881 9.4331 12.4096 12.4299 12.7516 12.8154 12.8693 12.9148 13.6598 13.6942 15.0822 15.1331 18.7088 18.7274 21.6201 21.6522 24.2388 24.2867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197-0.6313 ( 3227 PWs) bands (ev): -30.7605 -30.7605 1.1880 1.1992 7.4669 7.5385 9.0397 9.1041 12.2443 12.2720 12.5493 12.5853 12.8533 12.8914 13.7060 13.7272 14.9641 15.0119 19.2142 19.2532 20.7028 20.7488 24.4515 24.4735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.7197-0.4714 ( 3226 PWs) bands (ev): -30.7527 -30.7527 1.9546 1.9647 6.8294 6.8674 9.5167 9.5521 11.9283 11.9973 12.2252 12.2739 13.0561 13.1030 13.6820 13.7178 14.9938 15.0250 18.2560 18.3030 20.0593 20.0915 23.6780 23.7190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012-0.2078 ( 3221 PWs) bands (ev): -30.7491 -30.7491 1.9658 1.9664 7.5767 7.5987 9.8006 9.8662 11.6214 11.7042 12.3740 12.4038 13.0254 13.0648 13.7395 13.7936 15.7183 15.7340 17.3621 17.4066 18.9767 18.9930 20.6001 20.6319 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012-0.0479 ( 3226 PWs) bands (ev): -30.7480 -30.7480 1.8482 1.8495 8.7525 8.7871 9.3918 9.4748 11.2407 11.3515 12.5843 12.6202 12.7471 12.7833 13.8341 13.8829 16.2212 16.2548 16.8344 16.8897 19.0435 19.0690 19.6594 19.6979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012 0.1119 ( 3226 PWs) bands (ev): -30.7483 -30.7483 1.8811 1.8822 8.3149 8.3451 9.5878 9.6672 11.3802 11.4828 12.5172 12.5582 12.8386 12.8770 13.8036 13.8551 16.1170 16.1451 16.8992 16.9525 18.9406 18.9602 19.9960 20.0413 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012 0.2717 ( 3221 PWs) bands (ev): -30.7499 -30.7499 2.0271 2.0285 7.1195 7.1408 9.8919 9.9467 11.7468 11.8142 12.2686 12.2943 13.1112 13.1596 13.6982 13.7534 15.4535 15.4639 17.8310 17.8741 19.0992 19.1264 21.0720 21.0994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012 0.4315 ( 3229 PWs) bands (ev): -30.7528 -30.7528 2.0506 2.0584 6.4128 6.4439 9.8291 9.8635 11.9103 11.9358 12.2317 12.2759 13.0299 13.0761 13.7088 13.7397 15.0811 15.0968 19.0731 19.1311 19.7266 19.7826 22.4340 22.4886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012 0.5913 ( 3228 PWs) bands (ev): -30.7566 -30.7566 1.7149 1.7280 6.6132 6.6661 9.3382 9.3857 12.0733 12.0873 12.4964 12.5076 12.8914 12.9037 13.7676 13.7748 14.9163 14.9562 20.0364 20.1105 20.2574 20.3266 23.3432 23.3874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012 0.7511 ( 3233 PWs) bands (ev): -30.7605 -30.7605 1.2103 1.2230 7.4415 7.5293 8.9302 9.0099 12.2380 12.2786 12.5739 12.6068 12.9216 12.9613 13.7227 13.7449 14.8553 14.9078 18.8238 18.8552 21.3458 21.3901 24.6083 24.6358 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 = 0.2000-0.6012-1.1666 ( 3227 PWs) bands (ev): -30.7633 -30.7633 0.8410 0.8513 7.8795 7.9281 9.5369 9.5704 11.8729 11.9133 12.7763 12.8280 12.9488 13.0056 13.6073 13.6504 14.9976 15.0455 16.9917 17.0136 22.9071 22.9645 25.2111 25.2772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012-1.0068 ( 3217 PWs) bands (ev): -30.7640 -30.7640 0.7488 0.7583 7.8872 7.9073 10.1184 10.1278 11.4878 11.4998 12.8850 12.9097 12.9850 13.0119 13.5586 13.6114 15.1532 15.1844 16.3657 16.3859 23.6112 23.6789 25.0665 25.0945 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 = 0.2000-0.6012-0.8470 ( 3229 PWs) bands (ev): -30.7624 -30.7624 0.9602 0.9714 7.8094 7.8875 9.1354 9.2020 12.0997 12.1519 12.6768 12.7276 12.9369 12.9906 13.6555 13.6901 14.9116 14.9641 17.6591 17.6836 22.2749 22.3261 25.2615 25.3211 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 = 0.2000-0.6012-0.6872 ( 3236 PWs) bands (ev): -30.7590 -30.7590 1.4094 1.4228 7.0843 7.1569 9.0374 9.1032 12.2014 12.2201 12.5587 12.5746 12.9036 12.9284 13.7532 13.7678 14.8617 14.9107 19.5651 19.5990 20.7981 20.8359 23.9970 24.0339 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012-0.5274 ( 3228 PWs) bands (ev): -30.7550 -30.7550 1.8895 1.9012 6.4247 6.4677 9.5604 9.5993 11.9926 12.0092 12.3933 12.4221 12.9210 12.9503 13.7532 13.7656 14.9714 15.0028 19.6650 19.7232 20.2073 20.2594 23.0533 23.1081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.6012-0.3676 ( 3224 PWs) bands (ev): -30.7515 -30.7515 2.0775 2.0823 6.5982 6.6236 9.9162 9.9560 11.8678 11.9076 12.1837 12.2248 13.1026 13.1568 13.6826 13.7285 15.1896 15.1945 18.6057 18.6569 19.4132 19.4621 21.8853 21.9277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827-0.1039 ( 3232 PWs) bands (ev): -30.7568 -30.7568 1.0509 1.0534 8.9519 9.0104 9.6887 9.7628 11.7577 11.7995 12.4494 12.4603 12.6866 12.6976 13.9409 14.0013 16.5302 16.5396 17.3522 17.3825 18.4896 18.5099 19.8388 19.8810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827 0.0559 ( 3236 PWs) bands (ev): -30.7569 -30.7569 1.0110 1.0135 9.2360 9.3186 9.6149 9.6975 11.6472 11.6977 12.4514 12.4763 12.6346 12.6464 14.0081 14.0721 16.7042 16.7199 17.1052 17.1433 18.5082 18.5304 19.6914 19.7217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827 0.2157 ( 3235 PWs) bands (ev): -30.7564 -30.7563 1.2289 1.2308 8.0834 8.1121 9.8657 9.9155 11.9367 11.9480 12.3941 12.4304 12.8906 12.9242 13.7452 13.7962 15.9643 15.9739 18.2214 18.2536 18.6347 18.6548 20.3144 20.3565 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827 0.3756 ( 3233 PWs) bands (ev): -30.7555 -30.7555 1.6169 1.6184 6.8856 6.9086 10.0509 10.0834 11.8524 11.8596 12.3829 12.4334 13.0036 13.0507 13.6383 13.6736 15.3501 15.3515 18.8846 18.9005 20.0165 20.0472 21.1969 21.2404 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827 0.5354 ( 3231 PWs) bands (ev): -30.7549 -30.7549 1.9169 1.9260 6.2905 6.3268 9.8105 9.8462 11.8779 11.8869 12.4494 12.4610 12.9335 12.9415 13.7331 13.7396 15.0604 15.0827 19.5515 19.5689 20.7559 20.7679 21.9412 21.9904 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827 0.6952 ( 3230 PWs) bands (ev): -30.7548 -30.7548 1.8518 1.8660 6.6804 6.7390 9.2794 9.3306 12.0689 12.1144 12.3771 12.3951 12.9917 13.0292 13.7489 13.7712 14.8739 14.9130 18.9922 19.0339 20.6487 20.6843 23.1703 23.2384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827 0.8550 ( 3227 PWs) bands (ev): -30.7551 -30.7551 1.5915 1.6041 7.7743 7.8708 8.9255 9.0094 11.6676 11.7251 12.6361 12.6799 12.9600 13.0078 13.6751 13.7131 14.7757 14.8201 17.0507 17.0759 22.1732 22.2160 24.4598 24.5228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827-1.0628 ( 3219 PWs) bands (ev): -30.7553 -30.7553 1.4449 1.4556 8.3403 8.3662 9.5588 9.5701 10.7323 10.7414 12.8845 12.9107 12.9674 12.9892 13.6068 13.6566 14.7575 14.7905 16.1038 16.1239 23.5520 23.6381 24.7881 24.7979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827-0.9029 ( 3220 PWs) bands (ev): -30.7552 -30.7552 1.5267 1.5385 8.0746 8.1744 8.9767 9.0622 11.3999 11.4457 12.7363 12.7853 12.9464 12.9987 13.6477 13.6901 14.7650 14.8073 16.6280 16.6505 22.6768 22.7266 24.5976 24.6461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827-0.7431 ( 3229 PWs) bands (ev): -30.7549 -30.7549 1.7771 1.7912 6.9681 7.0353 9.1337 9.1920 12.0339 12.0996 12.4110 12.4430 12.9940 13.0343 13.7337 13.7609 14.8331 14.8753 18.3603 18.3953 21.0598 21.0953 23.5947 23.6642 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827-0.5833 ( 3234 PWs) bands (ev): -30.7548 -30.7548 1.9382 1.9496 6.3007 6.3431 9.6588 9.6983 11.9412 11.9534 12.4251 12.4473 12.9435 12.9656 13.7493 13.7591 14.9981 15.0264 19.7914 19.8210 20.4345 20.4563 22.2499 22.3085 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827-0.4235 ( 3233 PWs) bands (ev): -30.7553 -30.7552 1.7326 1.7360 6.6195 6.6449 10.0345 10.0658 11.8264 11.8313 12.4112 12.4504 12.9713 13.0077 13.6633 13.6875 15.2416 15.2477 19.0591 19.0734 20.4191 20.4554 21.4573 21.5129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.4827-0.2637 ( 3233 PWs) bands (ev): -30.7561 -30.7561 1.3353 1.3366 7.6936 7.7177 9.9420 9.9847 11.9383 11.9479 12.3700 12.4210 12.9691 13.0125 13.6795 13.7282 15.7339 15.7437 18.5053 18.5350 18.9370 18.9596 20.5560 20.5906 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.3642 0.0000 ( 3226 PWs) bands (ev): -30.7662 -30.7662 0.2852 0.2883 9.3157 9.3639 10.2447 10.2575 11.9289 11.9566 12.2615 12.3009 12.8305 12.8901 14.2047 14.2958 17.0501 17.0905 17.2161 17.2541 17.9350 17.9803 20.4845 20.4967 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.3642 0.1598 ( 3242 PWs) bands (ev): -30.7648 -30.7648 0.4451 0.4481 9.1267 9.2152 9.6830 9.7743 12.1153 12.1564 12.4359 12.4739 12.8916 12.9342 13.8738 13.9368 16.4479 16.4537 17.9390 17.9625 18.4412 18.4656 20.5479 20.5850 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.3642 0.3196 ( 3238 PWs) bands (ev): -30.7612 -30.7612 0.9004 0.9025 7.9381 7.9645 9.9084 9.9406 11.9836 11.9987 12.5915 12.6294 13.0608 13.0846 13.5303 13.5716 15.7263 15.7374 18.2927 18.3054 20.2009 20.2336 20.7523 20.7934 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.3642 0.4794 ( 3236 PWs) bands (ev): -30.7565 -30.7565 1.5463 1.5481 6.8490 6.8732 10.0748 10.1052 11.8249 11.8291 12.4750 12.5060 12.9911 13.0184 13.6231 13.6472 15.3326 15.3348 18.8756 18.8863 20.6415 20.6748 21.1351 21.1878 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.3642 0.6393 ( 3227 PWs) bands (ev): -30.7521 -30.7520 2.1060 2.1154 6.4413 6.4793 9.7600 9.7991 11.9308 11.9649 12.2637 12.2890 13.0483 13.0992 13.7173 13.7546 15.0763 15.0938 19.0009 19.0288 19.7664 19.7813 21.8304 21.8926 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.3642 0.7991 ( 3235 PWs) bands (ev): -30.7488 -30.7488 2.2753 2.2882 7.0757 7.1306 9.2943 9.3399 11.5693 11.6539 12.5041 12.5411 12.9847 13.0256 13.7140 13.7618 14.8471 14.8745 17.1207 17.1540 21.0408 21.0760 22.6598 22.7198 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.3642 0.9589 ( 3218 PWs) bands (ev): -30.7471 -30.7471 2.2202 2.2307 8.4482 8.5349 9.0039 9.0713 10.4466 10.5012 12.8251 12.8495 12.9117 12.9357 13.6787 13.7364 14.6561 14.6842 16.0657 16.0938 22.2414 22.3348 22.9893 23.0226 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457 0.1039 ( 3249 PWs) bands (ev): -30.7736 -30.7736 -0.1854 -0.1823 9.0368 9.0682 10.5133 10.5438 12.1751 12.2019 12.4155 12.4536 13.2399 13.2975 13.9665 14.0399 16.7822 16.7971 17.8179 17.8469 18.5362 18.5604 21.4276 21.4500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457 0.2637 ( 3244 PWs) bands (ev): -30.7687 -30.7686 0.2144 0.2177 9.0321 9.1108 9.5819 9.6623 12.1372 12.1536 12.7345 12.7756 13.2546 13.2866 13.4687 13.5146 16.1299 16.1433 17.9983 18.0206 20.0602 20.0855 20.9478 20.9787 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457 0.4235 ( 3244 PWs) bands (ev): -30.7609 -30.7609 0.9227 0.9251 7.9346 7.9588 9.8874 9.9186 11.9915 12.0086 12.5711 12.6121 13.0266 13.0528 13.5423 13.5839 15.7044 15.7179 18.3813 18.3955 20.0462 20.0749 20.8447 20.8829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457 0.5833 ( 3226 PWs) bands (ev): -30.7525 -30.7525 1.8212 1.8230 7.0165 7.0410 9.9771 10.0215 11.8712 11.8949 12.2719 12.3103 13.0591 13.1131 13.6849 13.7341 15.4354 15.4393 18.5985 18.6356 19.1229 19.1658 20.8908 20.9222 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457 0.7431 ( 3228 PWs) bands (ev): -30.7454 -30.7454 2.6068 2.6154 6.8218 6.8564 9.6307 9.6882 11.5295 11.6333 12.4332 12.4705 13.0914 13.1300 13.7375 13.7940 15.1174 15.1232 17.1461 17.1870 19.8488 19.8734 21.2599 21.3040 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457 0.9029 ( 3215 PWs) bands (ev): -30.7408 -30.7408 2.9523 2.9613 7.6503 7.6832 9.2594 9.3288 10.6005 10.7171 12.7320 12.7775 12.9639 13.0097 13.7301 13.7991 14.8044 14.8201 16.1650 16.2076 20.6054 20.6695 21.4352 21.4587 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457 1.0628 ( 3211 PWs) bands (ev): -30.7396 -30.7396 3.0020 3.0086 8.5150 8.5254 9.0186 9.0894 9.8550 9.9607 12.7137 12.7350 13.0634 13.1311 13.7357 13.8132 14.6626 14.6810 15.9450 15.9828 20.6559 20.7344 21.7744 21.8337 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457-0.8550 ( 3221 PWs) bands (ev): -30.7419 -30.7419 2.8943 2.9042 7.3063 7.3426 9.3579 9.4227 10.9519 11.0667 12.6822 12.7368 12.9667 13.0026 13.7331 13.7974 14.8924 14.9056 16.3718 16.4164 20.4576 20.5015 21.3493 21.3698 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457-0.6952 ( 3221 PWs) bands (ev): -30.7473 -30.7473 2.4086 2.4154 6.7765 6.8082 9.7547 9.8091 11.6802 11.7728 12.3356 12.3636 13.1135 13.1593 13.7299 13.7842 15.2191 15.2220 17.5806 17.6161 19.5854 19.6093 21.1550 21.1945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457-0.5354 ( 3231 PWs) bands (ev): -30.7550 -30.7550 1.5457 1.5459 7.2372 7.2598 10.0079 10.0469 11.9006 11.9079 12.3334 12.3880 13.0208 13.0727 13.6530 13.6996 15.5156 15.5223 18.7064 18.7337 19.2804 19.3092 20.8319 20.8621 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457-0.3756 ( 3239 PWs) bands (ev): -30.7634 -30.7634 0.6824 0.6853 8.2826 8.3122 9.7789 9.8129 12.0478 12.0602 12.6559 12.6891 13.0990 13.1115 13.4827 13.5244 15.8043 15.8197 18.2432 18.2590 20.2534 20.2839 20.8657 20.9044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457-0.2157 ( 3250 PWs) bands (ev): -30.7705 -30.7705 0.0594 0.0627 9.1355 9.2057 9.7597 9.8309 12.1556 12.1773 12.6928 12.7345 13.2404 13.2881 13.6021 13.6504 16.3100 16.3203 17.9298 17.9550 19.6410 19.6684 21.0751 21.1074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000-0.2457-0.0559 ( 3242 PWs) bands (ev): -30.7743 -30.7743 -0.2384 -0.2353 8.9987 9.0260 10.7575 10.7829 12.1731 12.1949 12.2957 12.3253 13.2434 13.3017 14.0830 14.1657 16.9971 17.0185 17.7194 17.7511 18.2012 18.2409 21.5493 21.5640 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908 0.3116 ( 3240 PWs) bands (ev): -30.7662 -30.7662 0.4788 0.4834 8.6131 8.6250 9.4697 9.4879 12.1896 12.2035 12.7260 12.7601 12.9445 12.9488 13.4885 13.5294 15.6904 15.7191 18.9619 18.9771 20.0071 20.0189 21.5090 21.5401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908 0.4714 ( 3233 PWs) bands (ev): -30.7582 -30.7581 1.2482 1.2516 7.5410 7.5478 9.8243 9.8462 11.9887 12.0083 12.3941 12.4459 12.9373 12.9804 13.5852 13.6218 15.4404 15.4641 18.7896 18.8296 19.6611 19.6927 21.7487 21.7830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908 0.6313 ( 3223 PWs) bands (ev): -30.7501 -30.7501 2.1194 2.1208 6.8390 6.8550 9.9102 9.9586 11.7614 11.8237 12.1741 12.2109 13.1793 13.2353 13.6588 13.7176 15.2570 15.2670 17.9637 18.0175 19.2160 19.2542 21.9446 21.9749 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908 0.7911 ( 3226 PWs) bands (ev): -30.7437 -30.7437 2.7344 2.7412 6.9921 7.0167 9.5936 9.6610 11.2901 11.3928 12.4275 12.4636 13.2142 13.2630 13.7412 13.8175 15.0283 15.0389 16.6997 16.7570 19.5452 19.5579 21.5462 21.5789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908 0.9509 ( 3217 PWs) bands (ev): -30.7402 -30.7402 2.9276 2.9331 8.0401 8.0541 9.2009 9.2825 10.3959 10.5116 12.7236 12.7619 13.0543 13.1198 13.6651 13.7514 14.8499 14.8706 16.1011 16.1501 20.2393 20.2846 21.3604 21.3825 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 = 0.3000-0.1908 1.1107 ( 3217 PWs) bands (ev): -30.7401 -30.7400 2.9330 2.9383 8.1636 8.1758 9.1521 9.2326 10.3118 10.4254 12.7436 12.7792 13.0408 13.1079 13.6616 13.7483 14.8358 14.8567 16.0806 16.1283 20.2835 20.3331 21.4177 21.4416 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908 1.2705 ( 3226 PWs) bands (ev): -30.7432 -30.7432 2.7702 2.7772 7.0641 7.0888 9.5556 9.6247 11.2189 11.3240 12.4617 12.4987 13.2015 13.2508 13.7374 13.8149 15.0081 15.0204 16.6020 16.6596 19.6094 19.6220 21.4897 21.5212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908-0.6472 ( 3222 PWs) bands (ev): -30.7493 -30.7493 2.1990 2.2011 6.8093 6.8264 9.8904 9.9412 11.7285 11.7980 12.1835 12.2187 13.1986 13.2544 13.6690 13.7303 15.2352 15.2437 17.8323 17.8849 19.2210 19.2557 21.9423 21.9727 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908-0.4874 ( 3229 PWs) bands (ev): -30.7573 -30.7573 1.3352 1.3384 7.4447 7.4520 9.8552 9.8795 11.9683 11.9883 12.3528 12.4066 12.9565 13.0017 13.5934 13.6313 15.4229 15.4455 18.7542 18.7994 19.5827 19.6181 21.7719 21.8059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908-0.3276 ( 3237 PWs) bands (ev): -30.7654 -30.7654 0.5450 0.5496 8.5143 8.5239 9.4902 9.5062 12.1738 12.1869 12.7107 12.7431 12.9303 12.9365 13.4953 13.5346 15.6554 15.6843 18.9501 18.9654 20.0447 20.0585 21.5209 21.5526 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 = 0.3000-0.1908-0.1678 ( 3248 PWs) bands (ev): -30.7716 -30.7716 0.0193 0.0235 8.8080 8.8253 10.0634 10.0876 12.2703 12.2994 12.6491 12.6888 13.0391 13.0689 13.5637 13.6097 16.1510 16.1739 18.7422 18.7937 19.1310 19.1948 21.8245 21.8605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908-0.0080 ( 3236 PWs) bands (ev): -30.7741 -30.7740 -0.1735 -0.1697 8.6759 8.6916 10.8313 10.8521 12.2568 12.2851 12.3604 12.3902 13.0970 13.1381 13.7187 13.7673 17.0538 17.0628 17.2309 17.2699 19.2155 19.2252 22.3585 22.3641 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.1908 0.1518 ( 3247 PWs) bands (ev): -30.7721 -30.7720 -0.0156 -0.0114 8.7878 8.8047 10.1734 10.1971 12.2741 12.3047 12.6145 12.6537 13.0489 13.0813 13.5841 13.6302 16.2202 16.2425 18.5917 18.6280 19.1402 19.1857 21.8902 21.9250 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 = 0.3000-0.0723 0.4155 ( 3232 PWs) bands (ev): -30.7632 -30.7632 0.7073 0.7130 8.5799 8.5925 9.3990 9.4147 12.2480 12.2853 12.4408 12.4876 12.8223 12.8617 13.5354 13.5793 15.6204 15.6531 18.3813 18.4249 19.7695 19.8206 22.0901 22.1360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723 0.5753 ( 3227 PWs) bands (ev): -30.7521 -30.7521 1.7120 1.7161 7.7483 7.7557 9.6780 9.7238 11.6731 11.7374 12.3231 12.3604 13.0461 13.0986 13.5647 13.6274 15.4593 15.4874 17.3599 17.4118 19.4876 19.5111 21.9232 21.9607 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723 0.7351 ( 3225 PWs) bands (ev): -30.7423 -30.7423 2.7848 2.7872 7.2277 7.2414 9.5827 9.6657 11.1861 11.2943 12.4649 12.5010 13.2266 13.2522 13.8188 13.8909 15.2166 15.2356 16.5422 16.6124 19.0103 19.0222 21.0336 21.0608 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723 0.8950 ( 3214 PWs) bands (ev): -30.7359 -30.7359 3.5367 3.5416 7.4778 7.4904 9.0675 9.1497 10.6991 10.8060 12.7268 12.7592 13.1999 13.2234 13.9158 13.9729 14.9678 14.9742 16.3213 16.3799 18.8847 18.9036 20.2411 20.2672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723 1.0548 ( 3216 PWs) bands (ev): -30.7340 -30.7340 3.7378 3.7394 8.1166 8.1306 8.4811 8.5352 10.4441 10.5227 12.9073 12.9237 13.0924 13.1200 13.8733 13.9208 14.8699 14.8864 16.3710 16.4155 18.9951 19.0397 20.4508 20.4667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723 1.2146 ( 3216 PWs) bands (ev): -30.7368 -30.7368 3.4305 3.4355 7.3581 7.3721 9.1935 9.2799 10.8010 10.9124 12.6738 12.7073 13.2140 13.2369 13.9310 13.9928 15.0075 15.0099 16.3186 16.3825 18.8658 18.8784 20.3182 20.3452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723 1.3744 ( 3222 PWs) bands (ev): -30.7440 -30.7440 2.5815 2.5835 7.2804 7.2928 9.6458 9.7236 11.2727 11.3752 12.4204 12.4569 13.2155 13.2473 13.7495 13.8218 15.2765 15.2981 16.6685 16.7355 19.0960 19.1095 21.2738 21.2992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723-0.5434 ( 3231 PWs) bands (ev): -30.7543 -30.7543 1.4967 1.5013 7.9122 7.9194 9.6291 9.6668 11.7951 11.8500 12.3222 12.3605 12.9853 13.0365 13.5533 13.6103 15.4920 15.5214 17.5589 17.6081 19.5716 19.5996 21.9739 22.0149 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723-0.3836 ( 3234 PWs) bands (ev): -30.7654 -30.7654 0.5345 0.5401 8.6640 8.6764 9.4317 9.4432 12.2995 12.3291 12.5289 12.5724 12.8179 12.8532 13.5312 13.5747 15.6622 15.6948 18.5786 18.6223 19.7864 19.8431 22.1167 22.1623 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723-0.2237 ( 3241 PWs) bands (ev): -30.7748 -30.7748 -0.1439 -0.1392 8.3996 8.4001 10.3411 10.3538 12.3551 12.3780 12.8398 12.8761 12.9946 12.9991 13.5818 13.6257 16.0437 16.0691 19.0962 19.1144 19.8016 19.8198 22.3062 22.3380 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723-0.0639 ( 3232 PWs) bands (ev): -30.7799 -30.7799 -0.4753 -0.4719 8.1279 8.1318 11.1374 11.1569 12.4429 12.4668 12.6851 12.7057 13.1828 13.1879 13.7377 13.7735 16.9152 16.9297 18.0317 18.0497 19.8187 19.8338 23.3385 23.3631 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 = 0.3000-0.0723 0.0959 ( 3231 PWs) bands (ev): -30.7793 -30.7793 -0.4382 -0.4346 8.1600 8.1635 11.0333 11.0524 12.4112 12.4363 12.7393 12.7625 13.1558 13.1602 13.7152 13.7517 16.6939 16.7107 18.3153 18.3332 19.8130 19.8323 23.0933 23.1225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.0723 0.2557 ( 3238 PWs) bands (ev): -30.7732 -30.7731 -0.0347 -0.0298 8.4779 8.4800 10.1306 10.1411 12.3511 12.3733 12.8120 12.8516 12.9506 12.9635 13.5549 13.6002 15.9361 15.9638 19.1073 19.1366 19.7973 19.8352 22.2272 22.2621 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 0.5194 ( 3230 PWs) bands (ev): -30.7560 -30.7560 1.2547 1.2610 8.7625 8.7863 9.3515 9.3819 11.4541 11.5083 12.5326 12.5763 12.8416 12.8927 13.4761 13.5402 15.5166 15.5476 16.7362 16.7771 20.7174 20.7541 22.2497 22.3017 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 0.6792 ( 3222 PWs) bands (ev): -30.7438 -30.7438 2.4591 2.4628 8.1007 8.1126 9.3840 9.4637 10.8261 10.9349 12.6235 12.6703 13.0498 13.0994 13.5825 13.6655 15.2257 15.2531 16.3267 16.3845 19.8569 19.8726 21.1947 21.2191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 0.8390 ( 3216 PWs) bands (ev): -30.7347 -30.7347 3.6700 3.6744 7.6498 7.6625 8.8526 8.9256 10.6500 10.7451 12.8139 12.8461 13.1670 13.1886 13.9236 13.9664 14.9823 14.9979 16.4688 16.5212 18.7164 18.7338 19.9324 19.9558 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 0.9988 ( 3208 PWs) bands (ev): -30.7304 -30.7304 4.3963 4.4021 7.7893 7.8025 8.1357 8.1688 10.5183 10.5659 13.0675 13.0856 13.1819 13.2039 13.9092 13.9179 14.8851 14.8962 17.0555 17.0827 18.2957 18.3211 19.4196 19.4365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 1.1586 ( 3206 PWs) bands (ev): -30.7319 -30.7319 4.1344 4.1407 7.6397 7.6505 8.4868 8.5407 10.5729 10.6428 12.9403 12.9648 13.1968 13.2215 13.9471 13.9667 14.9203 14.9291 16.7891 16.8259 18.3655 18.3826 19.5996 19.6251 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 1.3185 ( 3212 PWs) bands (ev): -30.7387 -30.7387 3.0873 3.0898 7.8151 7.8276 9.1755 9.2604 10.7189 10.8315 12.7076 12.7492 13.1188 13.1458 13.7741 13.8401 15.0860 15.1097 16.3069 16.3675 19.2702 19.2856 20.4587 20.4799 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 1.4783 ( 3219 PWs) bands (ev): -30.7497 -30.7496 1.8374 1.8427 8.4609 8.4756 9.4030 9.4567 11.0735 11.1537 12.5648 12.6117 12.9455 13.0047 13.4826 13.5629 15.3732 15.4023 16.4819 16.5314 20.3560 20.3819 21.8783 21.9205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462-0.4395 ( 3234 PWs) bands (ev): -30.7626 -30.7625 0.7314 0.7379 8.6715 8.6883 9.6504 9.6615 11.8795 11.9241 12.5184 12.5541 12.7981 12.8366 13.5006 13.5536 15.6661 15.6984 17.0634 17.0973 20.8916 20.9330 22.5743 22.6247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462-0.2797 ( 3234 PWs) bands (ev): -30.7744 -30.7744 -0.0881 -0.0829 8.0973 8.1026 10.6069 10.6200 12.4525 12.4659 12.6542 12.6939 12.9159 12.9606 13.6046 13.6519 16.0827 16.1097 17.8137 17.8359 20.8095 20.8452 23.3389 23.3803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462-0.1199 ( 3231 PWs) bands (ev): -30.7823 -30.7822 -0.5588 -0.5558 7.6932 7.6947 11.2591 11.2738 12.6267 12.6314 12.9113 12.9172 13.0462 13.0622 13.8573 13.8834 16.8566 16.8671 18.1639 18.1760 20.5522 20.5594 23.3738 23.3924 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 0.0400 ( 3233 PWs) bands (ev): -30.7840 -30.7839 -0.6540 -0.6518 7.6079 7.6084 11.3840 11.3947 12.7278 12.7448 12.8836 12.8876 13.0788 13.0997 13.9381 13.9570 17.3654 17.3678 17.9080 17.9200 20.4883 20.5026 23.2585 23.2647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 0.1998 ( 3231 PWs) bands (ev): -30.7790 -30.7790 -0.3694 -0.3652 7.8598 7.8627 10.9975 11.0136 12.5270 12.5358 12.8214 12.8546 12.9963 13.0351 13.7245 13.7629 16.4144 16.4339 18.1048 18.1213 20.6751 20.6988 23.4975 23.5324 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.0462 0.3596 ( 3233 PWs) bands (ev): -30.7688 -30.7688 0.2808 0.2869 8.3848 8.3942 10.1332 10.1416 12.2587 12.3001 12.5286 12.5556 12.8322 12.8676 13.5374 13.5866 15.8445 15.8758 17.4370 17.4650 20.8990 20.9394 22.9685 23.0134 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 0.6233 ( 3222 PWs) bands (ev): -30.7473 -30.7473 2.0539 2.0600 8.9794 9.0140 9.1481 9.1704 10.4266 10.4990 12.7728 12.7884 12.8871 12.9525 13.4689 13.5609 15.0909 15.1168 16.1594 16.2011 21.4238 21.4666 21.7127 21.7189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 0.7831 ( 3220 PWs) bands (ev): -30.7364 -30.7364 3.3595 3.3602 8.3009 8.3131 8.6862 8.7504 10.3934 10.4854 12.8860 12.9009 13.0162 13.0585 13.7714 13.8376 14.8922 14.9120 16.2255 16.2741 19.4981 19.5456 20.7125 20.7131 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 0.9429 ( 3207 PWs) bands (ev): -30.7301 -30.7301 4.4815 4.4859 7.8672 7.8927 8.0034 8.0148 10.4776 10.5151 12.9527 12.9607 13.3384 13.3385 13.9268 13.9348 14.8527 14.8608 17.0102 17.0355 18.2515 18.2913 19.4789 19.5106 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 1.1027 ( 3207 PWs) bands (ev): -30.7295 -30.7295 4.6212 4.6248 7.8012 7.8254 7.9387 7.9404 10.4788 10.5039 12.9591 12.9645 13.4109 13.4141 13.8949 13.8966 14.8536 14.8590 17.2201 17.2397 18.1888 18.2271 19.1102 19.1398 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 1.2625 ( 3218 PWs) bands (ev): -30.7347 -30.7347 3.6158 3.6165 8.1942 8.2067 8.5315 8.5892 10.4269 10.5099 12.9043 12.9190 13.0619 13.0944 13.8426 13.8964 14.8749 14.8926 16.3143 16.3605 19.1540 19.1999 20.5547 20.5551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 1.4223 ( 3225 PWs) bands (ev): -30.7449 -30.7449 2.3093 2.3146 8.8358 8.8553 9.1303 9.1833 10.3426 10.4326 12.7963 12.8110 12.9062 12.9731 13.5025 13.5966 15.0347 15.0600 16.1375 16.1819 21.0785 21.1263 21.4876 21.4918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 1.5821 ( 3222 PWs) bands (ev): -30.7579 -30.7579 1.1097 1.1171 8.6992 8.7051 9.7312 9.7388 11.1140 11.1326 12.6964 12.7161 12.8429 12.8863 13.4564 13.5227 15.4034 15.4284 16.3417 16.3739 22.0528 22.0852 22.7131 22.7175 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647-0.3356 ( 3229 PWs) bands (ev): -30.7710 -30.7710 0.1722 0.1787 7.9703 7.9755 10.6265 10.6418 12.0890 12.1072 12.7041 12.7195 12.9037 12.9484 13.5535 13.6081 16.0064 16.0249 16.7101 16.7368 21.9392 21.9764 24.0922 24.0945 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 = 0.3000 0.1647-0.1758 ( 3230 PWs) bands (ev): -30.7809 -30.7809 -0.4296 -0.4258 7.4415 7.4451 11.2312 11.2450 12.6590 12.7279 12.8608 12.8830 13.0242 13.0796 13.8133 13.8502 16.8365 16.8441 17.2000 17.2230 21.5555 21.5885 24.1174 24.1177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647-0.0160 ( 3206 PWs) bands (ev): -30.7850 -30.7850 -0.6588 -0.6584 7.2338 7.2341 11.4313 11.4327 12.8753 12.8906 13.0049 13.0205 13.0676 13.0676 14.0358 14.0389 17.3844 17.3852 17.6251 17.6276 21.2969 21.3008 22.8622 22.8625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 0.1438 ( 3223 PWs) bands (ev): -30.7823 -30.7822 -0.5059 -0.5028 7.3726 7.3756 11.3004 11.3122 12.7213 12.7955 12.8936 12.9262 13.0399 13.0874 13.8775 13.9071 17.0024 17.0080 17.3048 17.3256 21.4785 21.5078 23.7652 23.7659 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 = 0.3000 0.1647 0.3036 ( 3228 PWs) bands (ev): -30.7734 -30.7733 0.0234 0.0295 7.8423 7.8476 10.7802 10.7962 12.2450 12.2711 12.7273 12.7385 12.9286 12.9787 13.5886 13.6427 16.1578 16.1743 16.7996 16.8258 21.8724 21.9102 24.3427 24.3447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.1647 0.4635 ( 3231 PWs) bands (ev): -30.7607 -30.7606 0.8982 0.9056 8.5528 8.5536 9.9173 9.9269 11.3195 11.3331 12.6859 12.7061 12.8442 12.8839 13.4688 13.5302 15.5041 15.5284 16.4046 16.4351 22.0744 22.1073 22.9835 22.9872 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 0.7271 ( 3218 PWs) bands (ev): -30.7404 -30.7404 2.9206 2.9265 7.9151 7.9312 9.2459 9.3276 10.4883 10.6049 12.7014 12.7414 13.0693 13.1330 13.6699 13.7557 14.8655 14.8858 16.1271 16.1775 20.1850 20.2253 21.3214 21.3420 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 0.8870 ( 3217 PWs) bands (ev): -30.7328 -30.7328 3.9869 3.9930 7.6304 7.6411 8.6375 8.6989 10.5333 10.6165 12.7498 12.7658 13.3414 13.3561 13.9381 13.9754 14.9346 14.9422 16.5004 16.5400 18.6023 18.6420 19.7095 19.7414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 1.0468 ( 3213 PWs) bands (ev): -30.7303 -30.7303 4.4163 4.4241 7.8007 7.8108 8.0839 8.1274 10.5331 10.5858 12.7449 12.7483 13.6333 13.6501 13.8953 13.8990 14.9944 15.0155 17.3959 17.4180 18.0994 18.1184 18.2963 18.3154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 1.2066 ( 3213 PWs) bands (ev): -30.7334 -30.7333 3.8993 3.9051 7.6344 7.6453 8.7119 8.7768 10.5296 10.6179 12.7492 12.7674 13.3029 13.3215 13.9245 13.9677 14.9235 14.9291 16.4204 16.4630 18.7259 18.7661 19.8844 19.9161 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 1.3664 ( 3217 PWs) bands (ev): -30.7414 -30.7414 2.8006 2.8069 7.9682 7.9860 9.2711 9.3491 10.5031 10.6165 12.6936 12.7356 13.0546 13.1218 13.6421 13.7292 14.8693 14.8912 16.1324 16.1816 20.3606 20.3995 21.4878 21.5062 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 1.5262 ( 3225 PWs) bands (ev): -30.7530 -30.7530 1.6174 1.6265 8.4822 8.5519 9.1127 9.1692 11.1056 11.1545 12.6652 12.7146 12.9348 12.9950 13.5271 13.5898 15.0065 15.0397 16.4269 16.4599 21.7383 21.7723 23.4596 23.4895 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 1.6860 ( 3227 PWs) bands (ev): -30.7657 -30.7656 0.6103 0.6190 7.9814 8.0104 9.8761 9.8890 11.9421 11.9800 12.7406 12.7834 12.9106 12.9576 13.5599 13.6087 15.2836 15.3241 16.9740 16.9983 22.4863 22.5433 24.4019 24.4626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832-0.2317 ( 3227 PWs) bands (ev): -30.7764 -30.7764 -0.1018 -0.0956 7.3896 7.4028 10.7868 10.7963 12.4781 12.5197 12.8784 12.9625 13.0544 13.1162 13.6849 13.7371 15.7522 15.7843 17.4923 17.5093 22.5023 22.5530 24.5088 24.5686 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832-0.0719 ( 3228 PWs) bands (ev): -30.7824 -30.7824 -0.4603 -0.4571 7.0764 7.0816 11.2829 11.2927 12.7063 12.7618 13.0077 13.0962 13.1574 13.1853 13.9120 13.9397 16.5514 16.5608 17.3763 17.3877 22.2974 22.3164 23.5894 23.6089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 0.0879 ( 3229 PWs) bands (ev): -30.7821 -30.7821 -0.4413 -0.4378 7.0931 7.0989 11.2572 11.2675 12.6919 12.7488 12.9946 13.0907 13.1554 13.1849 13.8957 13.9251 16.4595 16.4711 17.4308 17.4422 22.3047 22.3197 23.6526 23.6754 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 0.2477 ( 3227 PWs) bands (ev): -30.7755 -30.7755 -0.0459 -0.0393 7.4379 7.4522 10.7097 10.7181 12.4433 12.4828 12.8653 12.9422 13.0362 13.0979 13.6643 13.7176 15.6921 15.7259 17.4565 17.4743 22.5283 22.5829 24.5789 24.6434 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 0.4075 ( 3228 PWs) bands (ev): -30.7645 -30.7644 0.6991 0.7080 8.0497 8.0813 9.7769 9.7928 11.8659 11.9039 12.7283 12.7730 12.9044 12.9524 13.5542 13.6027 15.2493 15.2896 16.9144 16.9392 22.4412 22.4960 24.3490 24.4077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000 0.2832 0.5673 ( 3223 PWs) bands (ev): -30.7518 -30.7517 1.7306 1.7395 8.4641 8.5286 9.1171 9.1695 11.0221 11.0750 12.6632 12.7126 12.9450 13.0073 13.5280 13.5941 14.9860 15.0183 16.3823 16.4167 21.6324 21.6650 23.2772 23.3044 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 = 0.3000-0.7833-0.2078 ( 3221 PWs) bands (ev): -30.7380 -30.7380 3.3038 3.3111 7.2642 7.2888 9.2718 9.3567 10.9274 11.0488 12.6600 12.7015 13.1659 13.1822 13.8511 13.9067 15.1471 15.1568 16.4090 16.4635 19.1824 19.2052 20.2422 20.2623 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833-0.0479 ( 3208 PWs) bands (ev): -30.7343 -30.7343 3.6312 3.6378 7.8945 7.9125 8.6035 8.6791 10.7737 10.8738 12.6445 12.6519 13.3986 13.4215 13.9216 13.9409 15.4864 15.5206 17.1326 17.1724 18.0956 18.1164 18.7303 18.7566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833 0.1119 ( 3212 PWs) bands (ev): -30.7353 -30.7352 3.5547 3.5615 7.6022 7.6241 8.8968 8.9760 10.8187 10.9275 12.6603 12.6801 13.3154 13.3319 13.9124 13.9481 15.3870 15.4170 16.7181 16.7619 18.4869 18.5068 19.2523 19.2751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833 0.2717 ( 3223 PWs) bands (ev): -30.7406 -30.7406 3.0386 3.0467 7.1715 7.1998 9.4170 9.4941 11.0231 11.1423 12.6104 12.6556 13.1089 13.1423 13.7752 13.8420 15.0106 15.0159 16.4171 16.4708 19.7153 19.7386 20.9232 20.9484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833 0.4315 ( 3226 PWs) bands (ev): -30.7494 -30.7494 2.1346 2.1458 7.4006 7.4525 9.2610 9.3050 11.4569 11.5327 12.5026 12.5455 13.0232 13.0779 13.6555 13.7097 14.8754 14.9067 16.9064 16.9434 20.9309 20.9551 23.0662 23.1053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833 0.5913 ( 3229 PWs) bands (ev): -30.7600 -30.7600 1.1716 1.1834 7.7846 7.8765 8.9759 9.0571 12.0426 12.1000 12.6050 12.6547 12.9405 12.9907 13.6643 13.6970 14.8827 14.9332 17.6950 17.7221 21.9367 21.9821 25.1601 25.1885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833 0.7511 ( 3221 PWs) bands (ev): -30.7700 -30.7699 0.3966 0.4062 7.4874 7.5290 9.7875 9.8142 12.3979 12.4217 12.8805 12.9395 12.9963 13.0305 13.6789 13.7192 15.0228 15.0786 18.1887 18.2047 22.6526 22.6950 24.8937 24.9545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833-1.1666 ( 3225 PWs) bands (ev): -30.7767 -30.7767 -0.0718 -0.0651 7.1435 7.1602 10.7652 10.7715 12.4824 12.5171 12.9953 13.0960 13.1541 13.2116 13.7147 13.7688 15.5143 15.5530 17.5152 17.5297 23.1506 23.1963 24.6692 24.7349 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833-1.0068 ( 3223 PWs) bands (ev): -30.7784 -30.7784 -0.1827 -0.1770 7.0568 7.0671 11.0656 11.0782 12.4797 12.5239 13.0545 13.1078 13.1834 13.2295 13.7371 13.7965 16.0310 16.0498 16.8034 16.8222 23.3920 23.4588 24.7849 24.8133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833-0.8470 ( 3223 PWs) bands (ev): -30.7745 -30.7745 0.0744 0.0822 7.2559 7.2800 10.4174 10.4213 12.4691 12.4950 12.9532 13.0568 13.1057 13.1582 13.6956 13.7449 15.2553 15.3037 17.9334 17.9462 22.9409 22.9510 24.7037 24.7624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833-0.6872 ( 3223 PWs) bands (ev): -30.7662 -30.7662 0.6745 0.6851 7.6541 7.7147 9.3781 9.4264 12.2966 12.3357 12.7740 12.8186 12.9428 12.9949 13.6735 13.7084 14.9414 14.9974 18.0871 18.1086 22.4236 22.4778 25.1057 25.1701 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833-0.5274 ( 3232 PWs) bands (ev): -30.7557 -30.7557 1.5444 1.5563 7.6883 7.7707 8.9935 9.0648 11.8166 11.8784 12.5385 12.5848 12.9656 13.0147 13.6569 13.6940 14.8691 14.9130 17.3731 17.4033 21.5526 21.5882 24.5395 24.5807 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.7833-0.3676 ( 3229 PWs) bands (ev): -30.7456 -30.7455 2.5228 2.5328 7.2431 7.2822 9.4085 9.4581 11.2457 11.3398 12.5231 12.5661 13.0612 13.1163 13.6791 13.7456 14.9016 14.9234 16.6498 16.6938 20.4786 20.5004 22.1191 22.1536 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648-0.1039 ( 3216 PWs) bands (ev): -30.7409 -30.7409 2.7184 2.7215 7.9055 7.9333 9.2608 9.3483 11.1441 11.2667 12.6177 12.6554 13.0303 13.0672 13.9058 13.9368 16.0057 16.0458 16.8826 16.9342 18.5559 18.5971 19.5105 19.5421 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648 0.0559 ( 3222 PWs) bands (ev): -30.7404 -30.7404 2.7207 2.7234 8.2020 8.2275 9.0664 9.1554 11.0775 11.1998 12.6108 12.6310 13.0510 13.0794 13.9318 13.9548 16.1153 16.1595 17.1074 17.1598 18.2330 18.2725 19.2955 19.3261 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648 0.2157 ( 3221 PWs) bands (ev): -30.7430 -30.7430 2.6780 2.6829 7.2086 7.2369 9.5903 9.6674 11.3741 11.4895 12.5470 12.5979 13.0550 13.0927 13.8129 13.8591 15.4939 15.5069 16.8989 16.9438 19.2460 19.2771 20.2829 20.3165 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648 0.3756 ( 3223 PWs) bands (ev): -30.7484 -30.7484 2.3791 2.3897 6.6761 6.7163 9.6048 9.6491 11.7298 11.8187 12.3288 12.3594 13.0843 13.1332 13.7161 13.7676 15.0137 15.0301 17.6496 17.6860 20.0932 20.1140 21.9793 22.0301 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648 0.5354 ( 3232 PWs) bands (ev): -30.7557 -30.7556 1.7295 1.7438 6.9164 6.9841 9.1261 9.1855 12.0854 12.1425 12.4187 12.4447 12.9871 13.0253 13.7432 13.7668 14.8330 14.8767 18.6656 18.7023 21.0149 21.0528 23.5559 23.6242 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648 0.6952 ( 3238 PWs) bands (ev): -30.7632 -30.7632 1.0088 1.0221 7.4173 7.5126 8.9121 8.9988 12.3233 12.3332 12.7282 12.7344 12.9705 13.0052 13.7494 13.7705 14.7625 14.8233 19.0796 19.0922 22.0021 22.0283 24.1943 24.2300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648 0.8550 ( 3216 PWs) bands (ev): -30.7692 -30.7691 0.4769 0.4873 7.3903 7.4340 9.7827 9.8107 12.3169 12.3470 12.9207 12.9541 13.0485 13.0975 13.6872 13.7284 14.9129 14.9739 17.8293 17.8465 23.3666 23.4335 25.4607 25.5073 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648-1.0628 ( 3225 PWs) bands (ev): -30.7718 -30.7718 0.2532 0.2617 7.2757 7.2931 10.6629 10.6755 12.0342 12.0528 13.0253 13.0807 13.1480 13.1597 13.6140 13.6807 15.4060 15.4336 16.4694 16.4873 24.4319 24.5363 26.3713 26.4153 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648-0.9029 ( 3217 PWs) bands (ev): -30.7704 -30.7703 0.3746 0.3841 7.3420 7.3741 10.1189 10.1321 12.2400 12.2721 12.9640 13.0081 13.0805 13.1271 13.6601 13.7101 15.0362 15.0916 17.3338 17.3512 23.8220 23.9098 25.7274 25.8312 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648-0.7431 ( 3226 PWs) bands (ev): -30.7652 -30.7652 0.8218 0.8343 7.4618 7.5445 9.0786 9.1515 12.3613 12.3660 12.8008 12.8063 12.9869 13.0256 13.7376 13.7630 14.7739 14.8370 18.8525 18.8631 22.3506 22.3713 24.4888 24.5142 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648-0.5833 ( 3235 PWs) bands (ev): -30.7580 -30.7579 1.5057 1.5201 7.0846 7.1645 8.9805 9.0525 12.1697 12.2130 12.5098 12.5301 12.9699 13.0050 13.7515 13.7709 14.8000 14.8501 18.9194 18.9537 21.3083 21.3523 23.7873 23.8483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648-0.4235 ( 3229 PWs) bands (ev): -30.7505 -30.7504 2.2126 2.2248 6.6747 6.7212 9.4929 9.5349 11.8420 11.9222 12.3142 12.3445 13.0553 13.1032 13.7185 13.7614 14.9432 14.9684 17.9531 17.9888 20.3550 20.3770 22.5466 22.6051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.6648-0.2637 ( 3227 PWs) bands (ev): -30.7444 -30.7444 2.6275 2.6338 6.9710 7.0014 9.6575 9.7250 11.4794 11.5883 12.4730 12.5145 13.0897 13.1229 13.7698 13.8219 15.2998 15.3037 17.0630 17.1053 19.5082 19.5358 20.7219 20.7596 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.5463-0.0000 ( 3232 PWs) bands (ev): -30.7481 -30.7481 1.8074 1.8080 8.9188 8.9356 9.3063 9.3960 11.2987 11.4121 12.5681 12.5751 12.7187 12.7461 14.0173 14.0570 16.5908 16.6342 17.2236 17.2768 18.5744 18.5978 18.8189 18.8217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.5463 0.1598 ( 3234 PWs) bands (ev): -30.7487 -30.7487 1.8897 1.8901 7.9575 7.9880 9.7265 9.8014 11.5617 11.6546 12.4834 12.5215 12.8618 12.9087 13.8793 13.9232 16.1519 16.1695 17.2735 17.3018 18.8613 18.8810 19.5336 19.5609 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.5463 0.3196 ( 3224 PWs) bands (ev): -30.7507 -30.7507 2.0462 2.0503 6.8389 6.8676 9.9130 9.9603 11.8424 11.8925 12.2782 12.2923 13.0764 13.1302 13.7108 13.7605 15.3496 15.3506 18.3875 18.4029 19.2979 19.3264 20.8750 20.9122 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.5463 0.4794 ( 3233 PWs) bands (ev): -30.7539 -30.7538 2.0044 2.0162 6.3490 6.3931 9.6343 9.6750 11.9676 11.9865 12.3481 12.3781 12.9971 13.0363 13.7396 13.7618 14.9940 15.0212 19.6687 19.7284 19.9820 20.0112 22.1929 22.2628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.5463 0.6393 ( 3228 PWs) bands (ev): -30.7577 -30.7577 1.6094 1.6247 6.7503 6.8218 9.0800 9.1449 12.1552 12.1684 12.5461 12.5518 12.9699 12.9826 13.7809 13.7892 14.8102 14.8588 19.9423 19.9556 20.9806 21.0051 22.9000 22.9580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.5463 0.7991 ( 3227 PWs) bands (ev): -30.7614 -30.7613 1.1308 1.1442 7.5177 7.6155 8.9169 9.0048 12.1800 12.2293 12.6687 12.7009 12.9911 13.0400 13.7249 13.7517 14.7433 14.8023 18.1536 18.1779 22.5080 22.5664 24.4781 24.5452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.5463 0.9589 ( 3217 PWs) bands (ev): -30.7636 -30.7635 0.8383 0.8491 7.7153 7.7510 9.8526 9.8695 11.6150 11.6398 12.9097 12.9712 13.0204 13.0887 13.6221 13.6680 14.8910 14.9373 16.5203 16.5377 24.2781 24.3753 26.0678 26.1554 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278 0.1039 ( 3232 PWs) bands (ev): -30.7568 -30.7568 1.0509 1.0534 8.9519 9.0104 9.6887 9.7628 11.7577 11.7995 12.4494 12.4603 12.6866 12.6976 13.9409 14.0013 16.5302 16.5396 17.3522 17.3825 18.4896 18.5099 19.8388 19.8810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278 0.2637 ( 3233 PWs) bands (ev): -30.7561 -30.7561 1.3353 1.3366 7.6936 7.7177 9.9420 9.9847 11.9383 11.9479 12.3700 12.4210 12.9691 13.0125 13.6795 13.7282 15.7339 15.7437 18.5053 18.5350 18.9370 18.9596 20.5560 20.5906 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278 0.4235 ( 3233 PWs) bands (ev): -30.7553 -30.7552 1.7326 1.7360 6.6195 6.6449 10.0345 10.0658 11.8264 11.8313 12.4112 12.4504 12.9713 13.0077 13.6633 13.6875 15.2416 15.2477 19.0591 19.0734 20.4191 20.4554 21.4573 21.5129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278 0.5833 ( 3234 PWs) bands (ev): -30.7548 -30.7548 1.9382 1.9496 6.3007 6.3431 9.6588 9.6983 11.9412 11.9534 12.4251 12.4473 12.9435 12.9656 13.7493 13.7591 14.9981 15.0264 19.7914 19.8210 20.4345 20.4563 22.2499 22.3085 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278 0.7431 ( 3229 PWs) bands (ev): -30.7549 -30.7549 1.7771 1.7912 6.9681 7.0353 9.1337 9.1920 12.0339 12.0996 12.4110 12.4430 12.9940 13.0343 13.7337 13.7609 14.8331 14.8753 18.3603 18.3953 21.0598 21.0953 23.5947 23.6642 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278 0.9029 ( 3220 PWs) bands (ev): -30.7552 -30.7552 1.5267 1.5385 8.0746 8.1744 8.9767 9.0622 11.3999 11.4457 12.7363 12.7853 12.9464 12.9987 13.6477 13.6901 14.7650 14.8073 16.6280 16.6505 22.6768 22.7266 24.5976 24.6461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278 1.0628 ( 3219 PWs) bands (ev): -30.7553 -30.7553 1.4449 1.4556 8.3403 8.3662 9.5588 9.5701 10.7323 10.7414 12.8845 12.9107 12.9674 12.9892 13.6068 13.6566 14.7575 14.7905 16.1038 16.1239 23.5520 23.6381 24.7881 24.7979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278-0.8550 ( 3227 PWs) bands (ev): -30.7551 -30.7551 1.5915 1.6041 7.7743 7.8708 8.9255 9.0094 11.6676 11.7251 12.6361 12.6799 12.9600 13.0078 13.6751 13.7131 14.7757 14.8201 17.0507 17.0759 22.1732 22.2160 24.4599 24.5228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278-0.6952 ( 3230 PWs) bands (ev): -30.7548 -30.7548 1.8518 1.8660 6.6804 6.7390 9.2794 9.3306 12.0689 12.1144 12.3771 12.3951 12.9917 13.0292 13.7489 13.7712 14.8739 14.9130 18.9922 19.0339 20.6487 20.6843 23.1703 23.2384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278-0.5354 ( 3231 PWs) bands (ev): -30.7549 -30.7549 1.9169 1.9260 6.2905 6.3268 9.8105 9.8462 11.8779 11.8869 12.4494 12.4610 12.9335 12.9415 13.7331 13.7396 15.0604 15.0827 19.5515 19.5689 20.7559 20.7679 21.9412 21.9904 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278-0.3756 ( 3233 PWs) bands (ev): -30.7555 -30.7555 1.6169 1.6184 6.8856 6.9086 10.0509 10.0834 11.8524 11.8596 12.3829 12.4334 13.0036 13.0507 13.6383 13.6736 15.3501 15.3515 18.8846 18.9005 20.0165 20.0472 21.1969 21.2404 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278-0.2157 ( 3235 PWs) bands (ev): -30.7564 -30.7563 1.2289 1.2308 8.0834 8.1121 9.8657 9.9155 11.9367 11.9480 12.3941 12.4304 12.8906 12.9242 13.7452 13.7962 15.9643 15.9739 18.2214 18.2536 18.6347 18.6548 20.3144 20.3565 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.4278-0.0559 ( 3236 PWs) bands (ev): -30.7569 -30.7569 1.0110 1.0135 9.2360 9.3186 9.6149 9.6975 11.6472 11.6977 12.4514 12.4763 12.6346 12.6464 14.0081 14.0721 16.7042 16.7199 17.1052 17.1433 18.5082 18.5304 19.6914 19.7217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093 0.2078 ( 3245 PWs) bands (ev): -30.7637 -30.7637 0.5943 0.5979 8.7724 8.8142 9.6144 9.6648 12.1357 12.1701 12.5214 12.5634 12.9115 12.9216 13.6183 13.6676 15.9959 16.0151 18.5114 18.5598 18.8440 18.9007 20.9997 21.0424 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093 0.3676 ( 3235 PWs) bands (ev): -30.7597 -30.7597 1.1174 1.1198 7.5308 7.5454 9.9230 9.9446 11.9452 11.9528 12.5647 12.5929 12.9510 12.9700 13.5552 13.5845 15.4840 15.5009 18.6510 18.6640 20.4951 20.5068 21.3017 21.3356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093 0.5274 ( 3227 PWs) bands (ev): -30.7550 -30.7550 1.7584 1.7608 6.6171 6.6376 10.0355 10.0636 11.8263 11.8332 12.3710 12.4151 12.9464 12.9855 13.6701 13.6943 15.2293 15.2314 18.9840 19.0039 20.2973 20.3307 21.8504 21.8998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093 0.6872 ( 3222 PWs) bands (ev): -30.7510 -30.7509 2.1851 2.1947 6.5428 6.5786 9.6854 9.7238 11.8862 11.9546 12.2019 12.2382 13.0963 13.1469 13.7032 13.7458 15.0246 15.0442 18.3359 18.3789 19.8400 19.8670 22.6033 22.6527 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 = 0.3000-0.3093 0.8470 ( 3226 PWs) bands (ev): -30.7482 -30.7482 2.2270 2.2378 7.4848 7.5343 9.2710 9.3147 11.3102 11.3889 12.5416 12.5859 13.0180 13.0745 13.6508 13.7099 14.8663 14.8955 16.7082 16.7463 20.9522 20.9773 22.8074 22.8427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093 1.0068 ( 3220 PWs) bands (ev): -30.7471 -30.7471 2.1647 2.1735 8.8426 8.9055 9.0635 9.1138 10.1788 10.2258 12.7955 12.8237 12.9423 12.9989 13.5950 13.6670 14.7446 14.7718 16.0161 16.0480 22.0193 22.0899 23.0495 23.0686 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093 1.1666 ( 3222 PWs) bands (ev): -30.7476 -30.7475 2.1971 2.2070 8.0463 8.1011 9.1572 9.2027 10.8771 10.9483 12.6759 12.7256 12.9642 13.0256 13.6207 13.6857 14.8116 14.8405 16.3026 16.3381 21.4803 21.5185 22.7746 22.7957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093-0.7511 ( 3231 PWs) bands (ev): -30.7497 -30.7497 2.2375 2.2485 6.8132 6.8549 9.5054 9.5463 11.7389 11.8197 12.3146 12.3521 13.0941 13.1463 13.6913 13.7412 14.9533 14.9784 17.6147 17.6550 20.2227 20.2421 22.8029 22.8489 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 = 0.3000-0.3093-0.5913 ( 3226 PWs) bands (ev): -30.7533 -30.7533 1.9758 1.9812 6.4622 6.4884 9.9337 9.9667 11.8725 11.8889 12.2568 12.3053 13.0157 13.0623 13.6945 13.7253 15.1457 15.1550 19.0774 19.1262 19.7651 19.8207 22.1449 22.1972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093-0.4315 ( 3231 PWs) bands (ev): -30.7578 -30.7578 1.3747 1.3758 7.0950 7.1101 10.0251 10.0468 11.8635 11.8667 12.5278 12.5459 12.9177 12.9287 13.6052 13.6270 15.3623 15.3727 18.7639 18.7747 20.7211 20.7320 21.4940 21.5308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093-0.2717 ( 3243 PWs) bands (ev): -30.7623 -30.7623 0.7760 0.7795 8.2799 8.3024 9.7188 9.7501 12.0748 12.0982 12.5658 12.6084 12.9651 12.9867 13.5461 13.5897 15.7567 15.7774 18.5530 18.5758 19.5702 19.6028 21.0885 21.1280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3000-0.3093-0.1119 ( 3242 PWs) bands (ev): -30.7653 -30.7653 0.4062 0.4099 9.1697 9.2298 9.8182 9.8792 12.1265 12.1690 12.3484 12.3904 12.8278 12.8646 13.7872 13.8469 16.3920 16.4099 17.7721 17.8020 18.6628 18.6855 20.9340 20.9686 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 = 0.3000-0.3093 0.0479 ( 3244 PWs) bands (ev): -30.7658 -30.7658 0.3423 0.3459 9.1883 9.2314 10.1382 10.1670 11.9968 12.0216 12.3151 12.3522 12.8065 12.8501 13.8790 13.9447 16.6768 16.6956 17.2421 17.2737 18.7148 18.7380 20.9250 20.9442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544 0.4155 ( 3237 PWs) bands (ev): -30.7580 -30.7580 1.3948 1.3993 7.0931 7.0994 9.8136 9.8137 11.9477 11.9567 12.5330 12.5434 12.7745 12.7827 13.6581 13.6761 15.2350 15.2601 19.0658 19.0730 20.4970 20.5049 22.6675 22.7034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544 0.5753 ( 3228 PWs) bands (ev): -30.7536 -30.7536 1.9508 1.9515 6.4703 6.4783 9.9967 10.0199 11.8262 11.8460 12.2199 12.2727 12.9640 13.0042 13.6972 13.7205 15.1370 15.1417 18.8654 18.9106 19.9197 19.9682 23.2512 23.2924 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544 0.7351 ( 3225 PWs) bands (ev): -30.7501 -30.7501 2.1697 2.1761 6.8057 6.8268 9.7319 9.7717 11.7353 11.8032 12.1884 12.2279 13.1865 13.2442 13.6419 13.6992 15.0712 15.0933 17.7722 17.8253 19.5931 19.6229 23.0118 23.0471 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544 0.8950 ( 3217 PWs) bands (ev): -30.7480 -30.7479 2.1037 2.1105 7.9809 8.0038 9.3925 9.4415 11.0916 11.1731 12.5370 12.5824 13.0563 13.1259 13.5209 13.6044 15.1071 15.1368 16.4927 16.5414 20.4203 20.4405 22.3367 22.3618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544 1.0548 ( 3223 PWs) bands (ev): -30.7473 -30.7473 2.0546 2.0607 8.9448 8.9786 9.1613 9.1973 10.4404 10.5136 12.7630 12.7881 12.8907 12.9577 13.4695 13.5614 15.0916 15.1175 16.1630 16.2049 21.3767 21.4164 21.7485 21.7667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544 1.2146 ( 3218 PWs) bands (ev): -30.7483 -30.7482 2.1234 2.1304 7.7076 7.7316 9.4515 9.4987 11.2663 11.3464 12.4676 12.5101 13.1014 13.1696 13.5459 13.6256 15.1011 15.1310 16.6765 16.7264 20.2029 20.2211 22.4614 22.4866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544 1.3744 ( 3229 PWs) bands (ev): -30.7507 -30.7507 2.1584 2.1640 6.6564 6.6754 9.8042 9.8417 11.7978 11.8602 12.1366 12.1818 13.1686 13.2222 13.6581 13.7077 15.0761 15.0939 18.0867 18.1428 19.5225 19.5615 23.1436 23.1818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544-0.5434 ( 3229 PWs) bands (ev): -30.7545 -30.7545 1.8576 1.8584 6.5282 6.5333 10.0003 10.0187 11.8259 11.8404 12.2855 12.3340 12.9027 12.9405 13.6987 13.7181 15.1531 15.1617 18.9169 18.9499 20.1473 20.1845 23.1630 23.2039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544-0.3836 ( 3241 PWs) bands (ev): -30.7589 -30.7589 1.2732 1.2783 7.2989 7.3072 9.7313 9.7348 11.9989 12.0093 12.5404 12.5637 12.7847 12.8053 13.6373 13.6584 15.2672 15.2956 19.1066 19.1183 20.3604 20.3721 22.5453 22.5809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544-0.2237 ( 3234 PWs) bands (ev): -30.7629 -30.7629 0.7480 0.7536 8.4786 8.4917 9.3975 9.4123 12.2372 12.2705 12.4535 12.5024 12.8305 12.8719 13.5391 13.5813 15.5753 15.6085 18.5476 18.5960 19.7225 19.7780 22.1171 22.1616 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544-0.0639 ( 3234 PWs) bands (ev): -30.7652 -30.7651 0.4703 0.4755 8.8308 8.8491 10.0422 10.0610 11.9659 11.9937 12.4512 12.4792 12.7793 12.7919 13.5548 13.6075 16.1227 16.1487 17.0241 17.0588 20.2403 20.2638 21.9807 22.0122 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.2544 0.0959 ( 3237 PWs) bands (ev): -30.7649 -30.7649 0.5019 0.5072 8.8357 8.8529 9.8659 9.8867 12.0644 12.1008 12.4401 12.4653 12.7824 12.7994 13.5464 13.5981 15.9973 16.0253 17.2763 17.3100 20.1538 20.1852 21.9850 22.0262 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 = 0.4000-0.2544 0.2557 ( 3234 PWs) bands (ev): -30.7622 -30.7622 0.8368 0.8425 8.2496 8.2629 9.4289 9.4422 12.2024 12.2287 12.4775 12.5265 12.8426 12.8857 13.5513 13.5896 15.4924 15.5261 18.8548 18.9162 19.6604 19.7273 22.1798 22.2210 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 0.5194 ( 3231 PWs) bands (ev): -30.7554 -30.7553 1.6137 1.6201 7.1428 7.1610 9.6622 9.6848 11.9917 12.0364 12.2208 12.2798 12.9794 13.0251 13.6362 13.6684 15.1795 15.2104 18.6251 18.6858 19.7151 19.7654 23.2782 23.3104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 0.6792 ( 3232 PWs) bands (ev): -30.7479 -30.7479 2.3754 2.3776 6.7602 6.7702 9.8352 9.8899 11.5985 11.6737 12.1925 12.2254 13.2854 13.3484 13.6636 13.7401 15.1097 15.1202 17.4434 17.5022 19.2531 19.2836 22.4095 22.4435 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 0.8390 ( 3222 PWs) bands (ev): -30.7425 -30.7425 2.7712 2.7744 7.2719 7.2832 9.5648 9.6464 11.1231 11.2300 12.4702 12.5055 13.2385 13.2750 13.7718 13.8514 15.1224 15.1424 16.4733 16.5425 19.1944 19.2050 21.2289 21.2564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 0.9988 ( 3223 PWs) bands (ev): -30.7400 -30.7400 2.8508 2.8526 8.3480 8.3650 9.0252 9.1031 10.5760 10.6849 12.8003 12.8480 12.9750 13.0124 13.6604 13.7334 15.1237 15.1487 16.2865 16.3399 19.8427 19.8703 20.4146 20.4264 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 1.1586 ( 3218 PWs) bands (ev): -30.7408 -30.7408 2.8321 2.8349 7.8025 7.8138 9.3336 9.4199 10.8102 10.9249 12.6381 12.6812 13.1229 13.1575 13.7065 13.7811 15.1414 15.1668 16.3061 16.3689 19.4389 19.4510 20.8111 20.8334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 1.3185 ( 3223 PWs) bands (ev): -30.7448 -30.7448 2.6289 2.6312 6.9010 6.9122 9.7375 9.8077 11.3876 11.4802 12.3113 12.3411 13.3026 13.3516 13.7591 13.8414 15.0942 15.1021 16.8759 16.9409 19.1440 19.1639 21.7561 21.7882 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 1.4783 ( 3230 PWs) bands (ev): -30.7514 -30.7514 2.0214 2.0259 6.8546 6.8666 9.8133 9.8498 11.7990 11.8554 12.1511 12.1964 13.1520 13.2063 13.6299 13.6803 15.1452 15.1672 18.0527 18.1107 19.4662 19.5061 23.0401 23.0700 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359-0.4395 ( 3232 PWs) bands (ev): -30.7594 -30.7594 1.2017 1.2090 7.5640 7.5919 9.4353 9.4578 12.1392 12.1645 12.4210 12.4692 12.8413 12.8843 13.6319 13.6586 15.2174 15.2543 19.1384 19.2047 19.9016 19.9685 23.1488 23.1865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359-0.2797 ( 3237 PWs) bands (ev): -30.7669 -30.7669 0.4986 0.5056 8.3212 8.3631 9.3171 9.3497 12.3667 12.3762 12.7044 12.7417 12.7851 12.8242 13.5780 13.6146 15.3998 15.4392 19.3713 19.3988 20.1969 20.2290 22.7252 22.7633 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 = 0.4000-0.1359-0.1199 ( 3232 PWs) bands (ev): -30.7720 -30.7720 0.0736 0.0794 8.2238 8.2320 10.3270 10.3360 12.4261 12.4462 12.5926 12.6283 12.8717 12.9155 13.5689 13.6169 15.9036 15.9341 17.8266 17.8511 20.8171 20.8584 23.1234 23.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 0.0400 ( 3231 PWs) bands (ev): -30.7731 -30.7731 -0.0138 -0.0085 8.1652 8.1677 10.7140 10.7305 12.3104 12.3290 12.5810 12.6039 12.9011 12.9333 13.5828 13.6324 16.3079 16.3299 17.1044 17.1319 20.9442 20.9702 23.4944 23.5154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 0.1998 ( 3236 PWs) bands (ev): -30.7699 -30.7699 0.2461 0.2525 8.3143 8.3346 9.7836 9.7918 12.4400 12.4484 12.6585 12.7061 12.8354 12.8854 13.5619 13.6058 15.6001 15.6361 18.6542 18.6828 20.5554 20.6044 22.8049 22.8531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.1359 0.3596 ( 3229 PWs) bands (ev): -30.7634 -30.7633 0.8221 0.8295 8.0269 8.0685 9.2417 9.2757 12.2609 12.2735 12.6335 12.6766 12.7549 12.7986 13.6087 13.6380 15.2811 15.3210 19.5526 19.6214 19.9335 20.0075 22.8926 22.9299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 0.6233 ( 3224 PWs) bands (ev): -30.7486 -30.7486 2.1425 2.1496 7.4470 7.4712 9.5159 9.5614 11.4183 11.4962 12.3958 12.4355 13.1407 13.2071 13.5729 13.6482 15.0911 15.1205 16.9026 16.9532 20.0087 20.0265 22.5908 22.6174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 0.7831 ( 3219 PWs) bands (ev): -30.7399 -30.7399 3.0883 3.0929 7.2006 7.2159 9.4478 9.5345 10.9973 11.1110 12.5474 12.5817 13.2345 13.2648 13.8697 13.9459 15.0293 15.0360 16.3501 16.4194 19.1008 19.1108 20.8423 20.8713 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 0.9429 ( 3210 PWs) bands (ev): -30.7349 -30.7349 3.6100 3.6147 7.6908 7.7068 8.8413 8.9155 10.7124 10.8102 12.7765 12.8034 13.2038 13.2191 13.9197 13.9576 15.1007 15.1230 16.5979 16.6492 18.6127 18.6218 19.6077 19.6277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 1.1027 ( 3211 PWs) bands (ev): -30.7344 -30.7344 3.6529 3.6575 7.8497 7.8664 8.6858 8.7547 10.6756 10.7681 12.8067 12.8278 13.2029 13.2194 13.9015 13.9338 15.1046 15.1281 16.6898 16.7376 18.6487 18.6622 19.3793 19.3945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 1.2625 ( 3216 PWs) bands (ev): -30.7386 -30.7386 3.2349 3.2395 7.2399 7.2549 9.3593 9.4477 10.9347 11.0490 12.5954 12.6298 13.2271 13.2513 13.9186 13.9887 15.0423 15.0449 16.3292 16.3985 18.9397 18.9490 20.5702 20.5987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 1.4223 ( 3222 PWs) bands (ev): -30.7467 -30.7466 2.3487 2.3552 7.3474 7.3682 9.5569 9.6121 11.3116 11.3986 12.4103 12.4484 13.1856 13.2526 13.6018 13.6854 15.0710 15.0972 16.7495 16.8043 19.8313 19.8459 22.2020 22.2294 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 1.5821 ( 3229 PWs) bands (ev): -30.7572 -30.7571 1.3243 1.3329 7.9649 8.0152 9.2050 9.2471 11.9243 11.9860 12.4136 12.4664 12.9264 12.9785 13.5743 13.6165 15.1688 15.2083 17.6122 17.6510 20.6335 20.6700 23.6303 23.6723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174-0.3356 ( 3231 PWs) bands (ev): -30.7678 -30.7678 0.4575 0.4655 8.0859 8.1268 9.5362 9.5649 12.4148 12.4538 12.6251 12.6853 12.8415 12.8920 13.5978 13.6376 15.3221 15.3651 18.4419 18.4686 21.1767 21.2275 23.5503 23.6050 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174-0.1758 ( 3227 PWs) bands (ev): -30.7759 -30.7759 -0.1152 -0.1093 7.7032 7.7165 10.5696 10.5756 12.5305 12.5601 12.7869 12.8676 12.9969 13.0396 13.6662 13.7113 15.7480 15.7806 18.3023 18.3166 21.5035 21.5187 23.5922 23.6348 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174-0.0160 ( 3224 PWs) bands (ev): -30.7793 -30.7793 -0.3364 -0.3319 7.5250 7.5293 11.1395 11.1547 12.5827 12.6418 12.8235 12.8441 13.0039 13.0633 13.7470 13.7907 16.6278 16.6392 17.1339 17.1567 21.6356 21.6712 24.4097 24.4202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 0.1438 ( 3224 PWs) bands (ev): -30.7770 -30.7770 -0.1886 -0.1831 7.6451 7.6557 10.7438 10.7537 12.5428 12.5769 12.8021 12.8861 12.9997 13.0503 13.6889 13.7334 15.8921 15.9211 18.0958 18.1111 21.5456 21.5719 23.7341 23.7786 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.0174 0.3036 ( 3230 PWs) bands (ev): -30.7697 -30.7697 0.3169 0.3245 8.0092 8.0417 9.7398 9.7590 12.4562 12.4833 12.6743 12.7390 12.8717 12.9199 13.6037 13.6456 15.3760 15.4181 18.5337 18.5564 21.2533 21.2979 23.4976 23.5505 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 = 0.4000-0.0174 0.4635 ( 3230 PWs) bands (ev): -30.7594 -30.7593 1.1323 1.1410 8.0789 8.1381 9.1504 9.2003 12.0517 12.1160 12.4343 12.4936 12.8854 12.9367 13.5804 13.6194 15.1902 15.2314 17.7986 17.8353 20.7650 20.8067 23.6797 23.7270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 0.7271 ( 3218 PWs) bands (ev): -30.7404 -30.7404 2.9206 2.9265 7.9151 7.9312 9.2459 9.3276 10.4883 10.6049 12.7014 12.7414 13.0693 13.1330 13.6699 13.7557 14.8655 14.8858 16.1271 16.1775 20.1850 20.2253 21.3214 21.3420 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 0.8870 ( 3217 PWs) bands (ev): -30.7328 -30.7328 3.9869 3.9930 7.6304 7.6411 8.6375 8.6989 10.5333 10.6165 12.7498 12.7658 13.3414 13.3561 13.9381 13.9754 14.9346 14.9422 16.5004 16.5400 18.6023 18.6420 19.7095 19.7414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 1.0468 ( 3213 PWs) bands (ev): -30.7303 -30.7303 4.4163 4.4241 7.8007 7.8108 8.0839 8.1274 10.5331 10.5858 12.7449 12.7483 13.6333 13.6501 13.8953 13.8990 14.9944 15.0155 17.3959 17.4180 18.0994 18.1184 18.2963 18.3154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 1.2066 ( 3213 PWs) bands (ev): -30.7334 -30.7333 3.8993 3.9051 7.6344 7.6453 8.7119 8.7768 10.5296 10.6179 12.7492 12.7674 13.3029 13.3215 13.9245 13.9677 14.9235 14.9291 16.4204 16.4630 18.7259 18.7661 19.8844 19.9161 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 1.3664 ( 3217 PWs) bands (ev): -30.7414 -30.7414 2.8006 2.8069 7.9682 7.9860 9.2711 9.3491 10.5031 10.6165 12.6936 12.7356 13.0546 13.1218 13.6421 13.7292 14.8693 14.8912 16.1324 16.1816 20.3606 20.3995 21.4878 21.5062 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 1.5262 ( 3225 PWs) bands (ev): -30.7530 -30.7530 1.6174 1.6265 8.4822 8.5519 9.1127 9.1692 11.1056 11.1545 12.6652 12.7146 12.9348 12.9950 13.5271 13.5898 15.0065 15.0397 16.4269 16.4599 21.7383 21.7723 23.4596 23.4895 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 1.6860 ( 3227 PWs) bands (ev): -30.7657 -30.7656 0.6103 0.6190 7.9814 8.0104 9.8761 9.8890 11.9421 11.9800 12.7406 12.7834 12.9106 12.9576 13.5599 13.6087 15.2836 15.3241 16.9740 16.9983 22.4863 22.5433 24.4019 24.4626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011-0.2317 ( 3227 PWs) bands (ev): -30.7764 -30.7764 -0.1018 -0.0956 7.3896 7.4028 10.7868 10.7963 12.4781 12.5197 12.8784 12.9625 13.0544 13.1162 13.6849 13.7371 15.7522 15.7843 17.4923 17.5093 22.5023 22.5530 24.5088 24.5686 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011-0.0719 ( 3228 PWs) bands (ev): -30.7824 -30.7824 -0.4603 -0.4571 7.0764 7.0816 11.2829 11.2927 12.7063 12.7618 13.0077 13.0962 13.1574 13.1853 13.9120 13.9397 16.5514 16.5608 17.3763 17.3877 22.2974 22.3164 23.5894 23.6089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 0.0879 ( 3229 PWs) bands (ev): -30.7821 -30.7821 -0.4413 -0.4378 7.0931 7.0989 11.2572 11.2675 12.6919 12.7488 12.9946 13.0907 13.1554 13.1849 13.8957 13.9251 16.4595 16.4711 17.4308 17.4422 22.3047 22.3197 23.6526 23.6754 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 0.2477 ( 3227 PWs) bands (ev): -30.7755 -30.7755 -0.0459 -0.0393 7.4379 7.4522 10.7097 10.7181 12.4433 12.4828 12.8653 12.9422 13.0362 13.0979 13.6643 13.7176 15.6921 15.7259 17.4565 17.4743 22.5283 22.5829 24.5789 24.6434 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 0.4075 ( 3228 PWs) bands (ev): -30.7645 -30.7644 0.6991 0.7080 8.0497 8.0813 9.7769 9.7928 11.8659 11.9039 12.7283 12.7730 12.9044 12.9524 13.5542 13.6027 15.2493 15.2896 16.9144 16.9392 22.4412 22.4960 24.3490 24.4077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.1011 0.5673 ( 3223 PWs) bands (ev): -30.7518 -30.7517 1.7306 1.7395 8.4641 8.5286 9.1171 9.1695 11.0221 11.0750 12.6632 12.7126 12.9450 13.0073 13.5280 13.5941 14.9860 15.0183 16.3823 16.4167 21.6324 21.6650 23.2772 23.3044 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 = 0.4000 0.2197 0.8310 ( 3221 PWs) bands (ev): -30.7339 -30.7339 3.7885 3.7895 8.2032 8.2186 8.4481 8.4909 10.2347 10.3074 12.6771 12.6920 13.3111 13.3632 13.8791 13.9422 14.7598 14.7709 16.1706 16.2097 19.1610 19.2229 20.4624 20.5174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 0.9908 ( 3214 PWs) bands (ev): -30.7293 -30.7293 4.6818 4.6838 7.7383 7.7564 7.9661 7.9677 10.4247 10.4418 12.6124 12.6159 13.8296 13.8358 14.0800 14.0856 14.8492 14.8512 17.1255 17.1429 17.8187 17.8684 18.4897 18.5287 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 1.1507 ( 3209 PWs) bands (ev): -30.7304 -30.7304 4.4172 4.4195 7.9146 7.9505 8.0609 8.0612 10.3851 10.4249 12.6292 12.6372 13.6526 13.6648 14.0401 14.0565 14.8215 14.8266 16.6457 16.6694 18.2307 18.2874 19.1839 19.2353 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 1.3105 ( 3215 PWs) bands (ev): -30.7372 -30.7372 3.2964 3.3004 8.4133 8.4261 8.7824 8.8423 10.0575 10.1493 12.7179 12.7368 13.1285 13.1963 13.7612 13.8414 14.7237 14.7400 16.0184 16.0604 19.9713 20.0367 21.3380 21.3910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 1.4703 ( 3221 PWs) bands (ev): -30.7483 -30.7483 2.0406 2.0496 8.9100 8.9310 9.1408 9.1479 10.1806 10.2088 12.8146 12.8313 12.9392 12.9885 13.5840 13.6539 14.7530 14.7807 16.0136 16.0437 22.2693 22.3420 23.4259 23.4402 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 1.6301 ( 3222 PWs) bands (ev): -30.7615 -30.7614 0.9338 0.9435 8.0551 8.0728 10.0005 10.0110 11.2347 11.2356 12.8831 12.8908 12.9763 12.9878 13.5513 13.6040 15.0691 15.0980 16.2579 16.2782 23.5740 23.6401 24.7879 24.7891 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 1.7899 ( 3230 PWs) bands (ev): -30.7737 -30.7737 0.1009 0.1083 7.3129 7.3264 10.8016 10.8157 12.1784 12.2044 12.9853 13.0149 13.1036 13.1398 13.6215 13.6875 15.7071 15.7264 16.5526 16.5722 23.6453 23.7195 25.8104 25.8114 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197-0.1279 ( 3233 PWs) bands (ev): -30.7820 -30.7820 -0.3898 -0.3863 6.8715 6.8775 11.2739 11.2830 12.6556 12.6977 13.1440 13.1862 13.2587 13.2809 13.8988 13.9351 16.5219 16.5262 16.8464 16.8643 23.1638 23.2127 23.7788 23.7791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 0.0320 ( 3234 PWs) bands (ev): -30.7840 -30.7840 -0.5043 -0.5034 6.7693 6.7708 11.3766 11.3790 12.7534 12.7658 13.2138 13.2291 13.3047 13.3063 14.0315 14.0398 16.7782 16.7789 17.0146 17.0200 22.9959 23.0092 23.0777 23.0781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 0.1918 ( 3226 PWs) bands (ev): -30.7793 -30.7793 -0.2375 -0.2323 7.0083 7.0174 11.1325 11.1448 12.5231 12.5696 13.0793 13.1218 13.2027 13.2427 13.7697 13.8257 16.2064 16.2167 16.7289 16.7487 23.3584 23.4227 24.5878 24.5879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 0.3516 ( 3221 PWs) bands (ev): -30.7691 -30.7691 0.3960 0.4045 7.5780 7.5940 10.5088 10.5222 11.8437 11.8538 12.9355 12.9550 13.0434 13.0646 13.5747 13.6341 15.4149 15.4391 16.4342 16.4534 23.7367 23.8098 25.5940 25.5954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 0.5114 ( 3218 PWs) bands (ev): -30.7561 -30.7561 1.3489 1.3588 8.4104 8.4251 9.6454 9.6531 10.8010 10.8020 12.8594 12.8607 12.9480 12.9680 13.5537 13.6095 14.9037 14.9337 16.1471 16.1700 23.2297 23.2943 24.2506 24.2524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000 0.2197 0.6712 ( 3222 PWs) bands (ev): -30.7435 -30.7434 2.5352 2.5428 8.8007 8.8192 9.1050 9.1490 9.9088 9.9896 12.7793 12.8005 12.9749 13.0403 13.6316 13.7114 14.7129 14.7369 15.9684 16.0045 21.3610 21.4328 22.5948 22.6357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469-0.1039 ( 3209 PWs) bands (ev): -30.7315 -30.7315 4.2127 4.2209 7.6491 7.6587 8.4196 8.4739 10.5033 10.5787 12.5664 12.5746 13.7018 13.7287 13.9385 13.9725 15.0827 15.1051 16.6464 16.6719 18.2477 18.2997 18.9274 18.9791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469 0.0559 ( 3210 PWs) bands (ev): -30.7306 -30.7306 4.3533 4.3622 7.7082 7.7155 8.2275 8.2780 10.5164 10.5814 12.5452 12.5499 13.8354 13.8560 13.9631 13.9820 15.1670 15.1978 16.9524 16.9702 17.9235 17.9607 18.4365 18.4759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469 0.2157 ( 3215 PWs) bands (ev): -30.7353 -30.7352 3.6341 3.6408 7.6852 7.7009 8.9203 8.9948 10.4100 10.5203 12.6527 12.6735 13.2717 13.3173 13.8265 13.8934 14.8736 14.8777 16.1810 16.2228 19.3800 19.4455 20.3373 20.3909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469 0.3756 ( 3216 PWs) bands (ev): -30.7445 -30.7444 2.5092 2.5189 8.1154 8.1639 9.1606 9.2069 10.4929 10.5769 12.7642 12.8101 12.9161 12.9698 13.6841 13.7495 14.7137 14.7378 16.1052 16.1400 21.5175 21.5917 22.3362 22.3589 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469 0.5354 ( 3220 PWs) bands (ev): -30.7565 -30.7565 1.3872 1.3986 8.1507 8.2245 9.1836 9.2422 11.2811 11.3162 12.8009 12.8535 12.9488 13.0051 13.6288 13.6728 14.7772 14.8188 16.4529 16.4734 23.1257 23.1839 24.9062 24.9486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469 0.6952 ( 3224 PWs) bands (ev): -30.7688 -30.7687 0.4713 0.4810 7.4417 7.4719 10.1355 10.1463 12.0556 12.0865 12.9464 12.9986 13.0601 13.1165 13.6324 13.6841 15.0574 15.1082 16.9367 16.9548 24.0559 24.1501 25.9396 26.0245 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469 0.8550 ( 3229 PWs) bands (ev): -30.7782 -30.7782 -0.1362 -0.1300 6.9172 6.9316 10.9495 10.9582 12.5005 12.5351 13.1161 13.2149 13.2548 13.3106 13.7540 13.8124 15.5884 15.6235 17.2054 17.2195 23.6748 23.7243 24.7550 24.8418 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469-1.0628 ( 3242 PWs) bands (ev): -30.7824 -30.7824 -0.3823 -0.3792 6.7042 6.7100 11.2908 11.2981 12.6577 12.6893 13.2422 13.2874 13.3513 13.3697 13.9341 13.9677 16.3962 16.4019 16.7845 16.7986 23.5326 23.5666 23.7725 23.8380 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469-0.9029 ( 3228 PWs) bands (ev): -30.7801 -30.7801 -0.2494 -0.2443 6.8190 6.8301 11.1074 11.1168 12.5723 12.6083 13.1583 13.2541 13.3011 13.3500 13.8231 13.8716 15.8140 15.8400 17.1566 17.1693 23.5258 23.5501 24.4004 24.4881 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469-0.7431 ( 3224 PWs) bands (ev): -30.7720 -30.7720 0.2535 0.2622 7.2549 7.2793 10.4168 10.4218 12.2285 12.2586 13.0088 13.0596 13.1262 13.1579 13.6500 13.7081 15.1855 15.2345 17.0638 17.0813 24.0666 24.1653 25.7393 25.8333 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469-0.5833 ( 3223 PWs) bands (ev): -30.7603 -30.7603 1.0849 1.0960 7.9417 7.9951 9.4503 9.4877 11.5349 11.5677 12.8296 12.8830 12.9739 13.0351 13.6236 13.6664 14.8389 14.8850 16.5957 16.6148 23.4881 23.5523 25.5925 25.6537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469-0.4235 ( 3221 PWs) bands (ev): -30.7479 -30.7479 2.1601 2.1707 8.2610 8.3387 9.0335 9.0939 10.6964 10.7558 12.7717 12.8252 12.9058 12.9598 13.6599 13.7177 14.7094 14.7387 16.1791 16.2085 22.0941 22.1607 23.0269 23.0370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.8469-0.2637 ( 3217 PWs) bands (ev): -30.7376 -30.7376 3.3158 3.3229 7.7780 7.7984 9.0960 9.1764 10.3563 10.4777 12.6956 12.7226 13.1104 13.1617 13.7752 13.8476 14.8022 14.8133 16.0952 16.1383 19.9903 20.0597 20.9464 20.9946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.7284 0.0000 ( 3214 PWs) bands (ev): -30.7342 -30.7341 3.6341 3.6415 8.0028 8.0122 8.4820 8.5663 10.7963 10.8990 12.5677 12.5688 13.4975 13.5236 13.9492 13.9500 15.8218 15.8697 17.3150 17.3420 17.7583 17.8171 18.4049 18.4361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.7284 0.1598 ( 3214 PWs) bands (ev): -30.7364 -30.7364 3.4469 3.4549 7.4047 7.4313 9.0876 9.1708 10.8881 11.0092 12.6557 12.6859 13.2506 13.2685 13.8571 13.8964 15.3725 15.3945 16.5392 16.5831 18.9873 19.0189 19.5890 19.6079 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.7284 0.3196 ( 3223 PWs) bands (ev): -30.7429 -30.7429 2.8163 2.8269 7.1605 7.2003 9.3955 9.4547 11.1264 11.2384 12.6670 12.7225 12.9441 12.9593 13.7350 13.7945 14.9210 14.9337 16.5270 16.5692 20.5526 20.5979 21.3937 21.4309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.7284 0.4794 ( 3233 PWs) bands (ev): -30.7524 -30.7524 1.8823 1.8956 7.4809 7.5596 9.0205 9.0863 11.6297 11.6973 12.5841 12.6235 12.9604 13.0024 13.7019 13.7417 14.7674 14.8064 17.0996 17.1272 21.8082 21.8511 23.7061 23.7748 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.7284 0.6393 ( 3221 PWs) bands (ev): -30.7630 -30.7629 0.9685 0.9811 7.5834 7.6663 9.0988 9.1703 12.1558 12.2027 12.7414 12.7785 13.0021 13.0587 13.7052 13.7364 14.7592 14.8199 17.8263 17.8478 22.9808 23.0465 24.8895 24.9562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.7284 0.7991 ( 3216 PWs) bands (ev): -30.7722 -30.7721 0.2804 0.2900 7.1799 7.2149 10.0875 10.1045 12.4142 12.4311 13.0190 13.0662 13.1492 13.1612 13.7113 13.7560 14.9403 15.0032 17.9702 17.9825 23.4964 23.5180 25.5065 25.5945 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.7284 0.9589 ( 3227 PWs) bands (ev): -30.7775 -30.7775 -0.0835 -0.0768 6.9059 6.9208 10.9344 10.9439 12.4440 12.4782 13.1394 13.2228 13.2702 13.3141 13.7255 13.7928 15.5629 15.5982 16.9705 16.9862 24.0878 24.1679 25.0298 25.1310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099 0.1039 ( 3216 PWs) bands (ev): -30.7409 -30.7409 2.7184 2.7215 7.9055 7.9333 9.2608 9.3483 11.1441 11.2667 12.6177 12.6554 13.0303 13.0672 13.9058 13.9368 16.0057 16.0458 16.8826 16.9342 18.5559 18.5971 19.5105 19.5421 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099 0.2637 ( 3227 PWs) bands (ev): -30.7444 -30.7444 2.6275 2.6338 6.9710 7.0014 9.6575 9.7250 11.4794 11.5883 12.4730 12.5145 13.0897 13.1229 13.7698 13.8219 15.2998 15.3037 17.0630 17.1053 19.5082 19.5358 20.7219 20.7596 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099 0.4235 ( 3229 PWs) bands (ev): -30.7505 -30.7504 2.2126 2.2248 6.6747 6.7212 9.4929 9.5349 11.8420 11.9222 12.3142 12.3445 13.0553 13.1032 13.7185 13.7614 14.9432 14.9684 17.9531 17.9888 20.3550 20.3770 22.5466 22.6051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099 0.5833 ( 3235 PWs) bands (ev): -30.7580 -30.7579 1.5057 1.5201 7.0846 7.1645 8.9805 9.0525 12.1697 12.2130 12.5098 12.5301 12.9699 13.0050 13.7515 13.7709 14.8000 14.8501 18.9194 18.9537 21.3083 21.3523 23.7873 23.8483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099 0.7431 ( 3226 PWs) bands (ev): -30.7652 -30.7652 0.8218 0.8343 7.4618 7.5445 9.0786 9.1515 12.3613 12.3660 12.8008 12.8063 12.9869 13.0256 13.7376 13.7630 14.7739 14.8370 18.8525 18.8631 22.3506 22.3713 24.4888 24.5142 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099 0.9029 ( 3217 PWs) bands (ev): -30.7704 -30.7703 0.3746 0.3841 7.3420 7.3741 10.1189 10.1321 12.2400 12.2721 12.9640 13.0081 13.0805 13.1271 13.6601 13.7101 15.0362 15.0916 17.3338 17.3512 23.8220 23.9098 25.7274 25.8312 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099 1.0628 ( 3225 PWs) bands (ev): -30.7718 -30.7718 0.2532 0.2617 7.2757 7.2931 10.6629 10.6755 12.0342 12.0528 13.0253 13.0807 13.1480 13.1597 13.6140 13.6807 15.4060 15.4336 16.4694 16.4873 24.4319 24.5363 26.3713 26.4153 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099-0.8550 ( 3216 PWs) bands (ev): -30.7692 -30.7691 0.4769 0.4873 7.3903 7.4340 9.7827 9.8107 12.3169 12.3470 12.9207 12.9541 13.0485 13.0975 13.6872 13.7284 14.9129 14.9739 17.8293 17.8465 23.3666 23.4335 25.4607 25.5073 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099-0.6952 ( 3238 PWs) bands (ev): -30.7632 -30.7632 1.0088 1.0221 7.4173 7.5126 8.9121 8.9988 12.3233 12.3332 12.7282 12.7344 12.9705 13.0052 13.7494 13.7705 14.7625 14.8233 19.0796 19.0922 22.0021 22.0283 24.1943 24.2300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099-0.5354 ( 3232 PWs) bands (ev): -30.7557 -30.7556 1.7295 1.7438 6.9164 6.9841 9.1261 9.1855 12.0854 12.1425 12.4187 12.4447 12.9871 13.0253 13.7432 13.7668 14.8330 14.8767 18.6656 18.7023 21.0149 21.0528 23.5559 23.6242 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099-0.3756 ( 3223 PWs) bands (ev): -30.7484 -30.7484 2.3791 2.3897 6.6761 6.7163 9.6048 9.6491 11.7298 11.8187 12.3288 12.3594 13.0843 13.1332 13.7161 13.7676 15.0137 15.0301 17.6496 17.6860 20.0932 20.1140 21.9793 22.0301 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099-0.2157 ( 3221 PWs) bands (ev): -30.7430 -30.7430 2.6780 2.6829 7.2086 7.2369 9.5903 9.6674 11.3741 11.4895 12.5470 12.5979 13.0550 13.0927 13.8129 13.8591 15.4939 15.5069 16.8989 16.9438 19.2460 19.2771 20.2829 20.3165 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.6099-0.0559 ( 3222 PWs) bands (ev): -30.7404 -30.7404 2.7207 2.7234 8.2020 8.2275 9.0664 9.1554 11.0775 11.1998 12.6108 12.6310 13.0510 13.0794 13.9318 13.9548 16.1153 16.1595 17.1074 17.1598 18.2330 18.2725 19.2955 19.3261 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914 0.2078 ( 3221 PWs) bands (ev): -30.7491 -30.7491 1.9658 1.9664 7.5767 7.5987 9.8006 9.8662 11.6214 11.7042 12.3740 12.4038 13.0254 13.0648 13.7395 13.7936 15.7183 15.7340 17.3621 17.4066 18.9767 18.9930 20.6001 20.6319 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914 0.3676 ( 3224 PWs) bands (ev): -30.7515 -30.7515 2.0775 2.0823 6.5982 6.6236 9.9162 9.9560 11.8678 11.9076 12.1837 12.2248 13.1026 13.1568 13.6826 13.7285 15.1896 15.1945 18.6057 18.6569 19.4132 19.4621 21.8853 21.9277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914 0.5274 ( 3228 PWs) bands (ev): -30.7550 -30.7550 1.8895 1.9012 6.4247 6.4677 9.5604 9.5993 11.9926 12.0092 12.3933 12.4221 12.9210 12.9503 13.7532 13.7656 14.9714 15.0028 19.6650 19.7232 20.2073 20.2594 23.0533 23.1081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914 0.6872 ( 3236 PWs) bands (ev): -30.7590 -30.7590 1.4094 1.4228 7.0843 7.1569 9.0374 9.1032 12.2014 12.2201 12.5587 12.5746 12.9036 12.9284 13.7532 13.7678 14.8617 14.9107 19.5651 19.5990 20.7981 20.8359 23.9970 24.0339 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914 0.8470 ( 3229 PWs) bands (ev): -30.7624 -30.7624 0.9602 0.9714 7.8094 7.8875 9.1354 9.2020 12.0997 12.1519 12.6768 12.7276 12.9369 12.9906 13.6555 13.6901 14.9116 14.9641 17.6591 17.6836 22.2749 22.3261 25.2615 25.3211 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 = 0.4000-0.4914 1.0068 ( 3217 PWs) bands (ev): -30.7640 -30.7640 0.7488 0.7583 7.8872 7.9073 10.1184 10.1278 11.4878 11.4998 12.8850 12.9097 12.9850 13.0119 13.5586 13.6114 15.1532 15.1844 16.3657 16.3859 23.6112 23.6789 25.0665 25.0945 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 = 0.4000-0.4914 1.1666 ( 3227 PWs) bands (ev): -30.7633 -30.7633 0.8410 0.8513 7.8795 7.9281 9.5369 9.5704 11.8729 11.9133 12.7763 12.8280 12.9488 13.0056 13.6073 13.6504 14.9976 15.0455 16.9917 17.0136 22.9071 22.9645 25.2111 25.2772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914-0.7511 ( 3233 PWs) bands (ev): -30.7605 -30.7605 1.2103 1.2230 7.4415 7.5293 8.9302 9.0099 12.2380 12.2786 12.5739 12.6068 12.9216 12.9613 13.7227 13.7449 14.8553 14.9078 18.8238 18.8552 21.3458 21.3901 24.6083 24.6358 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 = 0.4000-0.4914-0.5913 ( 3228 PWs) bands (ev): -30.7566 -30.7566 1.7149 1.7280 6.6132 6.6661 9.3382 9.3857 12.0733 12.0873 12.4964 12.5076 12.8914 12.9037 13.7676 13.7748 14.9163 14.9562 20.0364 20.1105 20.2574 20.3266 23.3432 23.3874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914-0.4315 ( 3229 PWs) bands (ev): -30.7528 -30.7528 2.0506 2.0584 6.4128 6.4439 9.8291 9.8635 11.9103 11.9358 12.2317 12.2759 13.0299 13.0761 13.7088 13.7397 15.0811 15.0968 19.0731 19.1311 19.7266 19.7826 22.4340 22.4886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914-0.2717 ( 3221 PWs) bands (ev): -30.7499 -30.7499 2.0271 2.0285 7.1195 7.1408 9.8919 9.9467 11.7468 11.8142 12.2686 12.2943 13.1112 13.1596 13.6982 13.7534 15.4535 15.4639 17.8310 17.8741 19.0992 19.1264 21.0720 21.0994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914-0.1119 ( 3226 PWs) bands (ev): -30.7483 -30.7483 1.8811 1.8822 8.3149 8.3451 9.5878 9.6672 11.3802 11.4828 12.5172 12.5582 12.8386 12.8770 13.8036 13.8551 16.1170 16.1451 16.8992 16.9525 18.9406 18.9602 19.9960 20.0413 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.4914 0.0479 ( 3226 PWs) bands (ev): -30.7480 -30.7480 1.8482 1.8495 8.7525 8.7871 9.3918 9.4748 11.2407 11.3515 12.5843 12.6202 12.7471 12.7833 13.8341 13.8829 16.2212 16.2548 16.8344 16.8897 19.0435 19.0690 19.6594 19.6979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729 0.3116 ( 3231 PWs) bands (ev): -30.7556 -30.7556 1.5118 1.5143 7.2663 7.2751 9.9045 9.9339 11.9295 11.9501 12.2778 12.3331 13.0018 13.0508 13.6081 13.6494 15.3888 15.4089 18.6573 18.7123 19.4346 19.4787 21.8188 21.8520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729 0.4714 ( 3228 PWs) bands (ev): -30.7550 -30.7550 1.8479 1.8508 6.4119 6.4283 10.0180 10.0383 11.8026 11.8067 12.4193 12.4458 12.8258 12.8483 13.7165 13.7270 15.1462 15.1503 19.0449 19.0566 20.7006 20.7182 22.6949 22.7386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729 0.6313 ( 3224 PWs) bands (ev): -30.7549 -30.7549 1.8721 1.8816 6.4807 6.5146 9.6601 9.6910 11.9657 11.9842 12.3438 12.3815 12.8968 12.9300 13.7401 13.7542 15.0159 15.0437 19.3776 19.4276 20.1413 20.1883 23.6228 23.6689 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729 0.7911 ( 3227 PWs) bands (ev): -30.7552 -30.7552 1.6088 1.6195 7.4464 7.5022 9.1979 9.2454 11.9325 11.9995 12.3820 12.4318 12.9832 13.0318 13.6464 13.6823 14.9823 15.0228 17.8296 17.8682 20.6995 20.7329 24.2477 24.2742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729 0.9509 ( 3221 PWs) bands (ev): -30.7556 -30.7556 1.3825 1.3916 8.5148 8.5703 9.2486 9.2902 11.1817 11.2208 12.6977 12.7459 12.9112 12.9671 13.5190 13.5779 15.0594 15.0932 16.4351 16.4651 22.0774 22.1167 23.6849 23.7213 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729 1.1107 ( 3225 PWs) bands (ev): -30.7556 -30.7556 1.3704 1.3793 8.5546 8.5983 9.3332 9.3634 11.0883 11.1226 12.7210 12.7666 12.9060 12.9607 13.5107 13.5715 15.0668 15.0991 16.3607 16.3901 22.2170 22.2579 23.6013 23.6369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729 1.2705 ( 3229 PWs) bands (ev): -30.7553 -30.7552 1.5799 1.5905 7.5716 7.6304 9.1631 9.2129 11.8856 11.9510 12.4157 12.4647 12.9781 13.0282 13.6329 13.6711 14.9870 15.0277 17.6487 17.6859 20.8221 20.8550 24.2225 24.2493 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729-0.6472 ( 3225 PWs) bands (ev): -30.7549 -30.7549 1.8535 1.8634 6.5437 6.5795 9.6106 9.6429 11.9903 12.0128 12.3254 12.3646 12.9159 12.9508 13.7353 13.7514 15.0067 15.0363 19.3356 19.3958 20.0642 20.1198 23.7302 23.7753 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729-0.4874 ( 3229 PWs) bands (ev): -30.7550 -30.7550 1.8686 1.8722 6.3718 6.3897 10.0016 10.0223 11.8054 11.8091 12.4329 12.4522 12.8143 12.8307 13.7251 13.7333 15.1302 15.1368 19.0823 19.0918 20.7571 20.7700 22.7749 22.8170 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729-0.3276 ( 3230 PWs) bands (ev): -30.7556 -30.7556 1.5501 1.5523 7.1515 7.1604 9.9320 9.9599 11.9134 11.9325 12.2840 12.3393 12.9950 13.0429 13.6168 13.6550 15.3523 15.3707 18.7212 18.7707 19.5546 19.5961 21.9075 21.9414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729-0.1678 ( 3229 PWs) bands (ev): -30.7563 -30.7563 1.2114 1.2151 8.4241 8.4451 9.6423 9.6899 11.8422 11.8868 12.3849 12.4112 12.8545 12.8917 13.6108 13.6672 15.8371 15.8612 17.5123 17.5563 19.2993 19.3281 21.0880 21.1369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729-0.0080 ( 3242 PWs) bands (ev): -30.7567 -30.7567 1.0705 1.0743 9.2700 9.3375 9.5745 9.5885 11.4403 11.4981 12.5146 12.5406 12.6663 12.6785 13.6718 13.7327 16.2529 16.2778 16.6514 16.7017 19.8275 19.8347 20.4839 20.4960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4000-0.3729 0.1518 ( 3230 PWs) bands (ev): -30.7564 -30.7564 1.1865 1.1903 8.5521 8.5772 9.6184 9.6690 11.8030 11.8509 12.4037 12.4291 12.8260 12.8606 13.6178 13.6751 15.8915 15.9155 17.3817 17.4250 19.3429 19.3725 21.0131 21.0637 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3180-0.5194 ( 3236 PWs) bands (ev): -30.7549 -30.7549 1.8981 1.8981 6.3371 6.3371 10.0252 10.0252 11.7910 11.7910 12.4464 12.4464 12.7356 12.7356 13.7487 13.7487 15.1141 15.1141 19.0263 19.0263 20.7759 20.7759 23.9148 23.9148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3180-0.3596 ( 3227 PWs) bands (ev): -30.7552 -30.7552 1.7125 1.7181 6.8320 6.8469 9.7821 9.8011 11.9443 11.9710 12.2562 12.3087 12.9333 12.9738 13.6767 13.7005 15.1409 15.1664 18.9359 18.9931 19.8356 19.8875 23.4962 23.5285 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 =-0.5000 0.3180-0.1998 ( 3230 PWs) bands (ev): -30.7558 -30.7557 1.3898 1.3965 8.0299 8.0530 9.4132 9.4415 11.8339 11.8919 12.3662 12.4120 12.9463 12.9995 13.5363 13.5878 15.3443 15.3790 17.5024 17.5467 20.1057 20.1381 22.7415 22.7842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3180-0.0400 ( 3227 PWs) bands (ev): -30.7561 -30.7561 1.2094 1.2155 8.9651 8.9937 9.5178 9.5370 11.1867 11.2305 12.6121 12.6442 12.7907 12.8366 13.4577 13.5267 15.6026 15.6288 16.4554 16.4953 21.1617 21.1999 21.8899 21.9338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3180 0.1199 ( 3234 PWs) bands (ev): -30.7560 -30.7560 1.2720 1.2784 8.6630 8.6865 9.3401 9.3706 11.5277 11.5835 12.5078 12.5523 12.8583 12.9101 13.4835 13.5458 15.4895 15.5214 16.8385 16.8797 20.6059 20.6413 22.3366 22.3880 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3180 0.2797 ( 3230 PWs) bands (ev): -30.7555 -30.7554 1.5463 1.5529 7.3786 7.3986 9.5832 9.6078 11.9871 12.0409 12.2344 12.2913 12.9893 13.0383 13.6070 13.6450 15.2169 15.2500 18.3183 18.3724 19.7673 19.8091 23.1265 23.1603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3180 0.4395 ( 3232 PWs) bands (ev): -30.7550 -30.7550 1.8453 1.8486 6.4650 6.4731 9.9523 9.9631 11.8362 11.8468 12.3610 12.3998 12.8064 12.8375 13.7273 13.7385 15.1144 15.1280 19.0311 19.0518 20.4461 20.4703 23.7905 23.8188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-0.4155 ( 3232 PWs) bands (ev): -30.7525 -30.7524 2.0609 2.0636 6.4602 6.4726 9.9523 9.9818 11.8403 11.8738 12.1397 12.1962 13.0563 13.1005 13.6877 13.7191 15.1109 15.1172 18.7072 18.7694 19.6190 19.6795 23.3109 23.3517 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-0.2557 ( 3225 PWs) bands (ev): -30.7495 -30.7495 2.0774 2.0800 7.1808 7.1892 9.8020 9.8546 11.6364 11.7073 12.2460 12.2810 13.1868 13.2429 13.6180 13.6857 15.2979 15.3203 17.4477 17.5039 19.2711 19.2970 22.0799 22.1072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-0.0959 ( 3227 PWs) bands (ev): -30.7480 -30.7479 1.9589 1.9623 8.4230 8.4430 9.4684 9.5400 11.0970 11.1948 12.5645 12.6104 12.9205 12.9625 13.5651 13.6369 15.5926 15.6213 16.5287 16.5848 19.7789 19.8018 21.1179 21.1617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365 0.0639 ( 3230 PWs) bands (ev): -30.7478 -30.7478 1.9440 1.9473 8.6566 8.6833 9.3823 9.4544 10.9862 11.0862 12.6226 12.6693 12.8589 12.9007 13.5580 13.6302 15.6109 15.6389 16.4658 16.5197 19.9621 19.9883 20.9201 20.9643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365 0.2237 ( 3222 PWs) bands (ev): -30.7491 -30.7491 2.0537 2.0567 7.4106 7.4192 9.7423 9.7991 11.5535 11.6306 12.3095 12.3453 13.1541 13.2062 13.6089 13.6783 15.3666 15.3915 17.1929 17.2494 19.3119 19.3322 21.8736 21.9023 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365 0.3836 ( 3228 PWs) bands (ev): -30.7518 -30.7518 2.0918 2.0934 6.5332 6.5438 9.9541 9.9885 11.8251 11.8670 12.1126 12.1681 13.1149 13.1636 13.6697 13.7095 15.1307 15.1357 18.5053 18.5698 19.4604 19.5198 23.0498 23.0877 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365 0.5434 ( 3223 PWs) bands (ev): -30.7556 -30.7556 1.7765 1.7840 6.5691 6.5937 9.7367 9.7583 11.9378 11.9521 12.3863 12.4221 12.8200 12.8502 13.7340 13.7454 15.0629 15.0888 19.2740 19.3031 20.3084 20.3373 24.0065 24.0254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-1.3744 ( 3225 PWs) bands (ev): -30.7598 -30.7597 1.2349 1.2443 7.4096 7.4568 9.2546 9.2953 12.1827 12.2020 12.5122 12.5499 12.8042 12.8414 13.6852 13.7058 15.0770 15.1187 19.4873 19.5524 20.1238 20.1918 23.8978 23.9308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-1.2146 ( 3234 PWs) bands (ev): -30.7632 -30.7632 0.7887 0.7969 8.2658 8.3187 9.3031 9.3445 12.1535 12.2148 12.5241 12.5836 12.8423 12.8928 13.5635 13.6050 15.2913 15.3327 17.7133 17.7444 21.1739 21.2226 23.6059 23.6609 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-1.0548 ( 3232 PWs) bands (ev): -30.7647 -30.7646 0.6040 0.6113 8.3258 8.3302 10.1810 10.1927 11.6343 11.6475 12.6784 12.6993 12.8566 12.8946 13.4939 13.5504 15.6654 15.6888 16.5242 16.5529 22.0453 22.0808 23.3973 23.4104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-0.8950 ( 3234 PWs) bands (ev): -30.7637 -30.7636 0.7281 0.7360 8.3117 8.3509 9.4901 9.5163 12.0557 12.1087 12.5686 12.6192 12.8432 12.8913 13.5415 13.5873 15.3635 15.4030 17.3819 17.4115 21.4042 21.4531 23.5448 23.6011 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-0.7351 ( 3225 PWs) bands (ev): -30.7606 -30.7605 1.1303 1.1396 7.6236 7.6771 9.1798 9.2262 12.2275 12.2569 12.4893 12.5363 12.8242 12.8679 13.6632 13.6877 15.1001 15.1432 19.1733 19.2248 20.2956 20.3526 23.8501 23.8893 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4365-0.5753 ( 3226 PWs) bands (ev): -30.7564 -30.7564 1.6747 1.6830 6.6877 6.7160 9.6435 9.6674 11.9803 11.9933 12.4539 12.4795 12.7838 12.8068 13.7343 13.7448 15.0569 15.0869 19.4048 19.4255 20.3577 20.3780 24.0294 24.0388 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550-0.3116 ( 3226 PWs) bands (ev): -30.7460 -30.7460 2.5425 2.5477 6.8064 6.8288 9.7418 9.8026 11.5232 11.6154 12.2964 12.3297 13.2410 13.2917 13.7261 13.7968 15.1188 15.1231 17.1641 17.2182 19.3416 19.3612 21.7811 21.8152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550-0.1518 ( 3215 PWs) bands (ev): -30.7415 -30.7415 2.7486 2.7508 7.5895 7.6092 9.4443 9.5306 11.1245 11.2406 12.5716 12.6158 13.1068 13.1303 13.8199 13.8760 15.5004 15.5283 16.5781 16.6435 18.8700 18.8802 20.4307 20.4561 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550 0.0080 ( 3218 PWs) bands (ev): -30.7401 -30.7401 2.7695 2.7706 8.4260 8.4387 8.9217 9.0081 10.8863 11.0025 12.7051 12.7324 13.0092 13.0360 13.7952 13.8357 15.6079 15.6380 16.7366 16.7899 18.9565 18.9653 19.6181 19.6533 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550 0.1678 ( 3213 PWs) bands (ev): -30.7418 -30.7418 2.7409 2.7433 7.4863 7.5056 9.4932 9.5785 11.1657 11.2805 12.5451 12.5885 13.1269 13.1496 13.8211 13.8792 15.4630 15.4887 16.5902 16.6559 18.8933 18.9045 20.5459 20.5710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550 0.3276 ( 3222 PWs) bands (ev): -30.7466 -30.7466 2.5011 2.5068 6.7695 6.7927 9.7448 9.8017 11.5612 11.6503 12.2752 12.3087 13.2375 13.2920 13.7095 13.7798 15.0957 15.1023 17.2629 17.3155 19.4085 19.4288 21.9502 21.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550 0.4874 ( 3230 PWs) bands (ev): -30.7535 -30.7535 1.8800 1.8903 6.8747 6.9151 9.4685 9.5048 11.9690 12.0372 12.2383 12.2894 13.0301 13.0753 13.6864 13.7187 14.9881 15.0215 18.3683 18.4155 20.1313 20.1660 23.8607 23.9003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550 0.6472 ( 3230 PWs) bands (ev): -30.7613 -30.7613 1.1147 1.1258 7.5351 7.6106 9.0134 9.0815 12.2677 12.2906 12.5893 12.6233 12.8421 12.8793 13.7044 13.7261 14.9662 15.0150 19.2618 19.2963 20.7648 20.8065 24.4166 24.4406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550-1.2705 ( 3225 PWs) bands (ev): -30.7681 -30.7680 0.4989 0.5082 7.7841 7.8347 9.4905 9.5289 12.4106 12.4358 12.7525 12.8183 12.8842 12.9316 13.6528 13.6892 15.1102 15.1605 18.5596 18.5792 21.7408 21.7793 24.2505 24.3036 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550-1.1107 ( 3230 PWs) bands (ev): -30.7720 -30.7719 0.1745 0.1818 7.6354 7.6506 10.5343 10.5431 12.2034 12.2356 12.8314 12.8649 12.9810 13.0309 13.5941 13.6502 15.6167 15.6504 16.9828 17.0045 22.7060 22.7657 24.7836 24.8399 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550-0.9509 ( 3230 PWs) bands (ev): -30.7717 -30.7717 0.1919 0.1994 7.6459 7.6630 10.4539 10.4602 12.2340 12.2685 12.8218 12.8617 12.9753 13.0257 13.5978 13.6524 15.5497 15.5862 17.1189 17.1402 22.6514 22.7126 24.6977 24.7606 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 =-0.5000 0.5550-0.7911 ( 3225 PWs) bands (ev): -30.7675 -30.7675 0.5488 0.5583 7.7940 7.8504 9.3881 9.4331 12.4096 12.4299 12.7516 12.8154 12.8693 12.9148 13.6598 13.6942 15.0822 15.1331 18.7088 18.7274 21.6201 21.6522 24.2388 24.2867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550-0.6313 ( 3227 PWs) bands (ev): -30.7605 -30.7605 1.1880 1.1992 7.4669 7.5385 9.0397 9.1041 12.2443 12.2720 12.5493 12.5853 12.8533 12.8914 13.7060 13.7272 14.9641 15.0119 19.2142 19.2532 20.7028 20.7488 24.4515 24.4735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.5550-0.4714 ( 3226 PWs) bands (ev): -30.7527 -30.7527 1.9546 1.9647 6.8294 6.8674 9.5167 9.5521 11.9283 11.9973 12.2252 12.2739 13.0561 13.1030 13.6820 13.7178 14.9938 15.0250 18.2560 18.3030 20.0593 20.0915 23.6780 23.7190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735-0.2078 ( 3221 PWs) bands (ev): -30.7380 -30.7380 3.3038 3.3111 7.2642 7.2888 9.2718 9.3567 10.9274 11.0488 12.6600 12.7015 13.1659 13.1822 13.8511 13.9067 15.1471 15.1568 16.4090 16.4635 19.1824 19.2052 20.2422 20.2623 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735-0.0479 ( 3208 PWs) bands (ev): -30.7343 -30.7343 3.6312 3.6378 7.8945 7.9125 8.6035 8.6791 10.7737 10.8738 12.6445 12.6519 13.3986 13.4215 13.9216 13.9409 15.4864 15.5206 17.1326 17.1724 18.0956 18.1164 18.7303 18.7566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735 0.1119 ( 3212 PWs) bands (ev): -30.7353 -30.7352 3.5547 3.5615 7.6022 7.6241 8.8968 8.9760 10.8187 10.9275 12.6603 12.6801 13.3154 13.3319 13.9124 13.9481 15.3870 15.4170 16.7181 16.7619 18.4869 18.5068 19.2523 19.2751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735 0.2717 ( 3223 PWs) bands (ev): -30.7406 -30.7406 3.0386 3.0467 7.1715 7.1998 9.4170 9.4941 11.0231 11.1423 12.6104 12.6556 13.1089 13.1423 13.7752 13.8420 15.0106 15.0159 16.4171 16.4708 19.7153 19.7386 20.9232 20.9484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735 0.4315 ( 3226 PWs) bands (ev): -30.7494 -30.7494 2.1346 2.1458 7.4006 7.4525 9.2610 9.3050 11.4569 11.5327 12.5026 12.5455 13.0232 13.0779 13.6555 13.7097 14.8754 14.9067 16.9064 16.9434 20.9309 20.9551 23.0662 23.1052 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735 0.5913 ( 3229 PWs) bands (ev): -30.7600 -30.7600 1.1716 1.1834 7.7846 7.8765 8.9759 9.0571 12.0426 12.1000 12.6050 12.6547 12.9405 12.9907 13.6643 13.6970 14.8827 14.9332 17.6950 17.7221 21.9367 21.9821 25.1601 25.1885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735 0.7511 ( 3221 PWs) bands (ev): -30.7700 -30.7699 0.3966 0.4062 7.4874 7.5290 9.7875 9.8142 12.3979 12.4217 12.8805 12.9395 12.9963 13.0305 13.6789 13.7192 15.0228 15.0786 18.1887 18.2047 22.6526 22.6950 24.8937 24.9545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735-1.1666 ( 3225 PWs) bands (ev): -30.7767 -30.7767 -0.0718 -0.0651 7.1435 7.1602 10.7652 10.7715 12.4824 12.5171 12.9953 13.0960 13.1541 13.2116 13.7147 13.7688 15.5143 15.5530 17.5152 17.5297 23.1506 23.1963 24.6692 24.7349 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735-1.0068 ( 3223 PWs) bands (ev): -30.7784 -30.7784 -0.1827 -0.1770 7.0568 7.0671 11.0656 11.0782 12.4797 12.5239 13.0545 13.1078 13.1834 13.2295 13.7371 13.7965 16.0310 16.0498 16.8034 16.8222 23.3920 23.4588 24.7849 24.8133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735-0.8470 ( 3223 PWs) bands (ev): -30.7745 -30.7745 0.0744 0.0822 7.2559 7.2800 10.4174 10.4213 12.4691 12.4950 12.9532 13.0568 13.1057 13.1582 13.6956 13.7449 15.2553 15.3037 17.9334 17.9462 22.9409 22.9510 24.7037 24.7624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735-0.6872 ( 3223 PWs) bands (ev): -30.7662 -30.7662 0.6745 0.6851 7.6541 7.7147 9.3781 9.4264 12.2966 12.3357 12.7740 12.8186 12.9428 12.9949 13.6735 13.7084 14.9414 14.9974 18.0871 18.1086 22.4236 22.4778 25.1057 25.1701 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735-0.5274 ( 3232 PWs) bands (ev): -30.7557 -30.7557 1.5444 1.5563 7.6883 7.7707 8.9935 9.0648 11.8166 11.8784 12.5385 12.5848 12.9656 13.0147 13.6569 13.6940 14.8691 14.9130 17.3731 17.4033 21.5526 21.5882 24.5395 24.5807 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6735-0.3676 ( 3229 PWs) bands (ev): -30.7456 -30.7455 2.5228 2.5328 7.2431 7.2822 9.4085 9.4581 11.2457 11.3398 12.5231 12.5661 13.0612 13.1163 13.6791 13.7456 14.9016 14.9234 16.6498 16.6938 20.4786 20.5004 22.1191 22.1536 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920-0.1039 ( 3209 PWs) bands (ev): -30.7315 -30.7315 4.2127 4.2209 7.6491 7.6587 8.4196 8.4739 10.5033 10.5787 12.5664 12.5746 13.7018 13.7287 13.9385 13.9725 15.0827 15.1051 16.6464 16.6719 18.2477 18.2997 18.9274 18.9791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920 0.0559 ( 3210 PWs) bands (ev): -30.7306 -30.7306 4.3533 4.3622 7.7082 7.7155 8.2275 8.2780 10.5164 10.5814 12.5452 12.5499 13.8354 13.8560 13.9631 13.9820 15.1670 15.1978 16.9524 16.9702 17.9235 17.9607 18.4365 18.4759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920 0.2157 ( 3215 PWs) bands (ev): -30.7353 -30.7352 3.6341 3.6408 7.6852 7.7009 8.9203 8.9948 10.4100 10.5203 12.6527 12.6735 13.2717 13.3173 13.8265 13.8934 14.8736 14.8777 16.1810 16.2228 19.3800 19.4455 20.3373 20.3909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920 0.3756 ( 3216 PWs) bands (ev): -30.7445 -30.7444 2.5092 2.5189 8.1154 8.1639 9.1606 9.2069 10.4929 10.5769 12.7642 12.8101 12.9161 12.9698 13.6841 13.7495 14.7137 14.7378 16.1052 16.1400 21.5175 21.5917 22.3362 22.3589 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920 0.5354 ( 3220 PWs) bands (ev): -30.7565 -30.7565 1.3872 1.3986 8.1507 8.2245 9.1836 9.2422 11.2811 11.3162 12.8009 12.8535 12.9488 13.0051 13.6288 13.6728 14.7772 14.8188 16.4529 16.4734 23.1257 23.1839 24.9062 24.9486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920 0.6952 ( 3224 PWs) bands (ev): -30.7688 -30.7687 0.4713 0.4810 7.4417 7.4719 10.1355 10.1463 12.0556 12.0865 12.9464 12.9986 13.0601 13.1165 13.6324 13.6841 15.0574 15.1082 16.9367 16.9548 24.0559 24.1501 25.9396 26.0244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920 0.8550 ( 3229 PWs) bands (ev): -30.7782 -30.7782 -0.1362 -0.1300 6.9172 6.9316 10.9495 10.9582 12.5005 12.5351 13.1161 13.2149 13.2548 13.3106 13.7540 13.8124 15.5884 15.6235 17.2054 17.2195 23.6748 23.7243 24.7550 24.8418 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920-1.0628 ( 3242 PWs) bands (ev): -30.7824 -30.7824 -0.3823 -0.3792 6.7042 6.7100 11.2908 11.2981 12.6577 12.6893 13.2422 13.2874 13.3513 13.3697 13.9341 13.9677 16.3962 16.4019 16.7845 16.7986 23.5326 23.5666 23.7725 23.8380 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920-0.9029 ( 3228 PWs) bands (ev): -30.7801 -30.7801 -0.2494 -0.2443 6.8190 6.8301 11.1074 11.1168 12.5723 12.6083 13.1583 13.2541 13.3011 13.3500 13.8231 13.8716 15.8140 15.8400 17.1566 17.1693 23.5258 23.5501 24.4004 24.4881 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920-0.7431 ( 3224 PWs) bands (ev): -30.7720 -30.7720 0.2535 0.2622 7.2549 7.2793 10.4168 10.4218 12.2285 12.2586 13.0088 13.0596 13.1262 13.1579 13.6500 13.7081 15.1855 15.2345 17.0638 17.0813 24.0666 24.1653 25.7393 25.8333 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920-0.5833 ( 3223 PWs) bands (ev): -30.7603 -30.7603 1.0849 1.0960 7.9417 7.9951 9.4503 9.4877 11.5349 11.5677 12.8296 12.8830 12.9739 13.0351 13.6236 13.6664 14.8389 14.8850 16.5957 16.6148 23.4881 23.5523 25.5925 25.6537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920-0.4235 ( 3221 PWs) bands (ev): -30.7479 -30.7479 2.1601 2.1707 8.2610 8.3387 9.0335 9.0939 10.6964 10.7558 12.7717 12.8252 12.9058 12.9598 13.6599 13.7177 14.7094 14.7387 16.1791 16.2085 22.0941 22.1607 23.0269 23.0370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7920-0.2637 ( 3217 PWs) bands (ev): -30.7376 -30.7376 3.3158 3.3229 7.7780 7.7984 9.0960 9.1764 10.3563 10.4777 12.6956 12.7226 13.1104 13.1617 13.7752 13.8476 14.8022 14.8133 16.0952 16.1383 19.9903 20.0597 20.9464 20.9946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2746-1.0388 ( 3212 PWs) bands (ev): -30.7290 -30.7290 4.7519 4.7519 7.6771 7.6771 7.9745 7.9745 10.4096 10.4096 12.4843 12.4843 13.9083 13.9083 14.3998 14.3998 14.8566 14.8566 17.0127 17.0127 17.6310 17.6310 18.2468 18.2468 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9997 0.9997 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2746-0.8790 ( 3216 PWs) bands (ev): -30.7319 -30.7319 4.1413 4.1414 8.0793 8.1087 8.2191 8.2344 10.2655 10.3208 12.5462 12.5572 13.6157 13.6649 13.9664 14.0198 14.7744 14.7802 16.2894 16.3188 18.6545 18.7215 19.6615 19.7243 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2746-0.7192 ( 3210 PWs) bands (ev): -30.7401 -30.7401 2.9490 2.9561 8.6170 8.6305 9.0263 9.0960 9.7506 9.8543 12.7102 12.7314 13.0585 13.1253 13.7438 13.8186 14.6342 14.6529 15.9213 15.9571 20.8238 20.9086 21.8696 21.9349 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2746-0.5593 ( 3208 PWs) bands (ev): -30.7520 -30.7520 1.7350 1.7458 8.5516 8.5689 9.3916 9.3971 10.4016 10.4022 12.8848 12.8899 12.9694 12.9791 13.6401 13.6914 14.6568 14.6887 16.0117 16.0332 23.2878 23.4000 24.0995 24.1494 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 =-0.5000-0.2746-0.3995 ( 3208 PWs) bands (ev): -30.7651 -30.7651 0.7089 0.7190 7.6326 7.6544 10.2530 10.2649 11.4920 11.4931 12.9714 13.0346 13.0597 13.0988 13.6001 13.6521 15.0191 15.0501 16.2633 16.2791 24.7275 24.8521 26.4977 26.5001 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2746-0.2397 ( 3236 PWs) bands (ev): -30.7765 -30.7764 -0.0242 -0.0173 6.9654 6.9790 10.9645 10.9775 12.3307 12.3641 13.1269 13.1926 13.2602 13.2844 13.6801 13.7570 15.7332 15.7500 16.5002 16.5180 24.5329 24.6465 25.4233 25.4251 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2746-0.0799 ( 3254 PWs) bands (ev): -30.7830 -30.7830 -0.4039 -0.4014 6.6252 6.6297 11.3214 11.3270 12.6780 12.7017 13.2965 13.3284 13.3955 13.4058 13.9766 14.0027 16.4675 16.4682 16.7179 16.7314 23.3959 23.3973 23.9108 23.9561 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 14.5116 ev ! total energy = -96.48952343 Ry Harris-Foulkes estimate = -96.48952343 Ry estimated scf accuracy < 1.8E-10 Ry The total energy is the sum of the following terms: one-electron contribution = 3.90340366 Ry hartree contribution = 13.51759720 Ry xc contribution = -46.66390214 Ry ewald contribution = -67.24662215 Ry smearing contrib. (-TS) = -0.00000001 Ry convergence has been achieved in 10 iterations Writing output data file LiFeAs.save init_run : 39.39s CPU 48.08s WALL ( 1 calls) electrons : 791.01s CPU 815.89s WALL ( 1 calls) Called by init_run: wfcinit : 34.24s CPU 35.14s WALL ( 1 calls) potinit : 0.21s CPU 1.78s WALL ( 1 calls) Called by electrons: c_bands : 666.15s CPU 679.82s WALL ( 11 calls) sum_band : 122.41s CPU 125.23s WALL ( 11 calls) v_of_rho : 0.53s CPU 3.53s WALL ( 11 calls) v_h : 0.11s CPU 0.16s WALL ( 11 calls) v_xc : 0.39s CPU 2.46s WALL ( 11 calls) newd : 0.87s CPU 1.73s WALL ( 11 calls) mix_rho : 0.79s CPU 2.68s WALL ( 11 calls) Called by c_bands: init_us_2 : 1.30s CPU 4.63s WALL ( 14444 calls) cegterg : 645.65s CPU 651.55s WALL ( 6908 calls) Called by sum_band: sum_band:bec : 1.99s CPU 4.42s WALL ( 6908 calls) addusdens : 0.30s CPU 0.31s WALL ( 11 calls) Called by *egterg: h_psi : 558.28s CPU 569.75s WALL ( 22474 calls) s_psi : 14.26s CPU 15.16s WALL ( 22474 calls) g_psi : 0.19s CPU 0.74s WALL ( 14938 calls) cdiaghg : 49.17s CPU 46.00s WALL ( 21218 calls) cegterg:over : 21.58s CPU 18.17s WALL ( 14938 calls) cegterg:upda : 0.72s CPU 3.30s WALL ( 14938 calls) cegterg:last : 0.33s CPU 1.74s WALL ( 6908 calls) Called by h_psi: h_psi:vloc : 525.73s CPU 536.07s WALL ( 22474 calls) h_psi:vnl : 32.30s CPU 32.94s WALL ( 22474 calls) add_vuspsi : 6.23s CPU 11.94s WALL ( 22474 calls) General routines calbec : 35.49s CPU 27.65s WALL ( 29382 calls) fft : 0.73s CPU 1.46s WALL ( 211 calls) fftw : 605.31s CPU 614.39s WALL ( 1979416 calls) Parallel routines fft_scatter : 337.11s CPU 344.65s WALL ( 1979627 calls) PWSCF : 14m25.02s CPU 16m29.99s WALL This run was terminated on: 13:20:15 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=