Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:13:12 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 Atomic positions and unit cell read from directory: ./Ge2N2O.save/ 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 51 29 8 1895 831 128 Max 53 30 9 1898 846 133 Sum 2473 1437 417 90999 40215 6239 bravais-lattice index = 14 lattice parameter (alat) = 10.3458 a.u. unit-cell volume = 923.1180 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.345796 celldm(2)= 1.000000 celldm(3)= 0.932461 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448078 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448078 0.893994 0.000000 ) a(3) = ( 0.000000 0.000000 0.932461 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.501209 -0.000000 ) b(2) = ( 0.000000 1.118575 -0.000000 ) b(3) = ( 0.000000 0.000000 1.072431 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 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 Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4662305 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 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 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090864 0.0147181 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181729 0.0294362 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272594 0.0441543 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363458 0.0588724 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454323 0.0735905 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0545187 0.0883086 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0636052 0.1030267 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0726916 0.1177448 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817781 0.1324629 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908645 0.1471810 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999510 0.1618991 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1090374 0.1766171 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1181239 0.1913352 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1272103 0.2060533 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1362968 0.2207714 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1453832 0.2354895 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544697 0.2502076 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1635562 0.2649257 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1726426 0.2796438 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1817291 0.2943619 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1908155 0.3090800 -0.0000000), wk = 0.0028249 k( 23) = ( 0.1999020 0.3237981 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2089884 0.3385162 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2180749 0.3532343 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2271613 0.3679524 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2362478 0.3826705 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2453342 0.3973886 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2544207 0.4121067 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2635072 0.4268248 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2725936 0.4415429 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2816801 0.4562610 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2907665 0.4709791 -0.0000000), wk = 0.0028249 k( 34) = ( 0.2998530 0.4856972 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3089394 0.5004152 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3180259 0.5151334 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3271123 0.5298514 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3361988 0.5445695 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3452852 0.5592876 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3452852 0.5592876 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3280210 0.5592876 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3107567 0.5592876 -0.0000000), wk = 0.0028249 k( 43) = ( 0.2934924 0.5592876 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2762282 0.5592876 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2589639 0.5592876 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416997 0.5592876 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2244354 0.5592876 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2071711 0.5592876 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1899069 0.5592876 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1726426 0.5592876 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1553783 0.5592876 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1381141 0.5592876 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208498 0.5592876 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1035856 0.5592876 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0863213 0.5592876 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690570 0.5592876 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0517928 0.5592876 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345285 0.5592876 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172643 0.5592876 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5592876 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5592876 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5592876 0.0172973), wk = 0.0028249 k( 63) = ( 0.0000000 0.5592876 0.0345945), wk = 0.0028249 k( 64) = ( 0.0000000 0.5592876 0.0518918), wk = 0.0028249 k( 65) = ( 0.0000000 0.5592876 0.0691891), wk = 0.0028249 k( 66) = ( 0.0000000 0.5592876 0.0864864), wk = 0.0028249 k( 67) = ( 0.0000000 0.5592876 0.1037836), wk = 0.0028249 k( 68) = ( 0.0000000 0.5592876 0.1210809), wk = 0.0028249 k( 69) = ( 0.0000000 0.5592876 0.1383782), wk = 0.0028249 k( 70) = ( 0.0000000 0.5592876 0.1556755), wk = 0.0028249 k( 71) = ( 0.0000000 0.5592876 0.1729727), wk = 0.0028249 k( 72) = ( 0.0000000 0.5592876 0.1902700), wk = 0.0028249 k( 73) = ( 0.0000000 0.5592876 0.2075673), wk = 0.0028249 k( 74) = ( 0.0000000 0.5592876 0.2248646), wk = 0.0028249 k( 75) = ( 0.0000000 0.5592876 0.2421618), wk = 0.0028249 k( 76) = ( 0.0000000 0.5592876 0.2594591), wk = 0.0028249 k( 77) = ( 0.0000000 0.5592876 0.2767564), wk = 0.0028249 k( 78) = ( 0.0000000 0.5592876 0.2940537), wk = 0.0028249 k( 79) = ( 0.0000000 0.5592876 0.3113509), wk = 0.0028249 k( 80) = ( 0.0000000 0.5592876 0.3286482), wk = 0.0028249 k( 81) = ( 0.0000000 0.5592876 0.3459455), wk = 0.0028249 k( 82) = ( 0.0000000 0.5592876 0.3632428), wk = 0.0028249 k( 83) = ( 0.0000000 0.5592876 0.3805400), wk = 0.0028249 k( 84) = ( 0.0000000 0.5592876 0.3978373), wk = 0.0028249 k( 85) = ( 0.0000000 0.5592876 0.4151346), wk = 0.0028249 k( 86) = ( 0.0000000 0.5592876 0.4324318), wk = 0.0028249 k( 87) = ( 0.0000000 0.5592876 0.4497291), wk = 0.0028249 k( 88) = ( 0.0000000 0.5592876 0.4670264), wk = 0.0028249 k( 89) = ( 0.0000000 0.5592876 0.4843237), wk = 0.0028249 k( 90) = ( 0.0000000 0.5592876 0.5016209), wk = 0.0028249 k( 91) = ( 0.0000000 0.5592876 0.5189182), wk = 0.0028249 k( 92) = ( 0.0000000 0.5592876 0.5362155), wk = 0.0028249 k( 93) = ( 0.0000000 0.5592876 0.5362155), wk = 0.0028249 k( 94) = ( 0.0172643 0.5592876 0.5362155), wk = 0.0028249 k( 95) = ( 0.0345285 0.5592876 0.5362155), wk = 0.0028249 k( 96) = ( 0.0517928 0.5592876 0.5362155), wk = 0.0028249 k( 97) = ( 0.0690570 0.5592876 0.5362155), wk = 0.0028249 k( 98) = ( 0.0863213 0.5592876 0.5362155), wk = 0.0028249 k( 99) = ( 0.1035856 0.5592876 0.5362155), wk = 0.0028249 k( 100) = ( 0.1208498 0.5592876 0.5362155), wk = 0.0028249 k( 101) = ( 0.1381141 0.5592876 0.5362155), wk = 0.0028249 k( 102) = ( 0.1553783 0.5592876 0.5362155), wk = 0.0028249 k( 103) = ( 0.1726426 0.5592876 0.5362155), wk = 0.0028249 k( 104) = ( 0.1899069 0.5592876 0.5362155), wk = 0.0028249 k( 105) = ( 0.2071711 0.5592876 0.5362155), wk = 0.0028249 k( 106) = ( 0.2244354 0.5592876 0.5362155), wk = 0.0028249 k( 107) = ( 0.2416997 0.5592876 0.5362155), wk = 0.0028249 k( 108) = ( 0.2589639 0.5592876 0.5362155), wk = 0.0028249 k( 109) = ( 0.2762282 0.5592876 0.5362155), wk = 0.0028249 k( 110) = ( 0.2934924 0.5592876 0.5362155), wk = 0.0028249 k( 111) = ( 0.3107567 0.5592876 0.5362155), wk = 0.0028249 k( 112) = ( 0.3280210 0.5592876 0.5362155), wk = 0.0028249 k( 113) = ( 0.3452852 0.5592876 0.5362155), wk = 0.0028249 k( 114) = ( 0.3452852 0.5592876 0.5362155), wk = 0.0028249 k( 115) = ( 0.3361988 0.5445695 0.5362155), wk = 0.0028249 k( 116) = ( 0.3271123 0.5298514 0.5362155), wk = 0.0028249 k( 117) = ( 0.3180259 0.5151334 0.5362155), wk = 0.0028249 k( 118) = ( 0.3089394 0.5004152 0.5362155), wk = 0.0028249 k( 119) = ( 0.2998530 0.4856972 0.5362155), wk = 0.0028249 k( 120) = ( 0.2907665 0.4709791 0.5362155), wk = 0.0028249 k( 121) = ( 0.2816801 0.4562610 0.5362155), wk = 0.0028249 k( 122) = ( 0.2725936 0.4415429 0.5362155), wk = 0.0028249 k( 123) = ( 0.2635072 0.4268248 0.5362155), wk = 0.0028249 k( 124) = ( 0.2544207 0.4121067 0.5362155), wk = 0.0028249 k( 125) = ( 0.2453342 0.3973886 0.5362155), wk = 0.0028249 k( 126) = ( 0.2362478 0.3826705 0.5362155), wk = 0.0028249 k( 127) = ( 0.2271613 0.3679524 0.5362155), wk = 0.0028249 k( 128) = ( 0.2180749 0.3532343 0.5362155), wk = 0.0028249 k( 129) = ( 0.2089884 0.3385162 0.5362155), wk = 0.0028249 k( 130) = ( 0.1999020 0.3237981 0.5362155), wk = 0.0028249 k( 131) = ( 0.1908155 0.3090800 0.5362155), wk = 0.0028249 k( 132) = ( 0.1817291 0.2943619 0.5362155), wk = 0.0028249 k( 133) = ( 0.1726426 0.2796438 0.5362155), wk = 0.0028249 k( 134) = ( 0.1635562 0.2649257 0.5362155), wk = 0.0028249 k( 135) = ( 0.1544697 0.2502076 0.5362155), wk = 0.0028249 k( 136) = ( 0.1453832 0.2354895 0.5362155), wk = 0.0028249 k( 137) = ( 0.1362968 0.2207714 0.5362155), wk = 0.0028249 k( 138) = ( 0.1272103 0.2060533 0.5362155), wk = 0.0028249 k( 139) = ( 0.1181239 0.1913352 0.5362155), wk = 0.0028249 k( 140) = ( 0.1090374 0.1766171 0.5362155), wk = 0.0028249 k( 141) = ( 0.0999510 0.1618991 0.5362155), wk = 0.0028249 k( 142) = ( 0.0908645 0.1471810 0.5362155), wk = 0.0028249 k( 143) = ( 0.0817781 0.1324629 0.5362155), wk = 0.0028249 k( 144) = ( 0.0726916 0.1177448 0.5362155), wk = 0.0028249 k( 145) = ( 0.0636052 0.1030267 0.5362155), wk = 0.0028249 k( 146) = ( 0.0545187 0.0883086 0.5362155), wk = 0.0028249 k( 147) = ( 0.0454323 0.0735905 0.5362155), wk = 0.0028249 k( 148) = ( 0.0363458 0.0588724 0.5362155), wk = 0.0028249 k( 149) = ( 0.0272594 0.0441543 0.5362155), wk = 0.0028249 k( 150) = ( 0.0181729 0.0294362 0.5362155), wk = 0.0028249 k( 151) = ( 0.0090864 0.0147181 0.5362155), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5362155), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5362155), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.5189182), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.5016209), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4843237), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4670264), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4497291), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4324318), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.4151346), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3978373), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3805400), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3632428), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3459455), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3286482), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.3113509), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2940537), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2767564), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2594591), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2421618), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2248646), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.2075673), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1902700), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1729727), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1556755), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1383782), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1210809), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.1037836), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0864864), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0691891), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0518918), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0345945), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0172973), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0090789 0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0181578 0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0272367 0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0363157 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0453946 0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0544735 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.0635524 0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.0726313 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.0817102 0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.0907891 0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.0998680 0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1089470 0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1180259 0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.1271048 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.1361837 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.1452626 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.1543415 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.1634204 0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.1724993 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.1815783 0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.1906572 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.1997361 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.2088150 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.2178939 0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.2269728 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.2360517 0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.2451307 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.2542096 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.2632885 0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.2723674 0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.2814463 0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.2905252 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.2996041 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.3086831 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.3086831 0.0000000), wk = 0.0028249 k( 221) = ( -0.4908991 0.3234245 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4817983 0.3381659 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4726974 0.3529074 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4635965 0.3676488 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544956 0.3823903 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4453948 0.3971317 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4362939 0.4118732 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4271931 0.4266146 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4180922 0.4413561 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4089913 0.4560975 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3998904 0.4708390 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3907896 0.4855804 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3816887 0.5003219 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3725878 0.5150633 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3634870 0.5298047 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3543861 0.5445462 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3452852 0.5592876 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3452852 0.5592876 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3452852 0.5592876 0.0172973), wk = 0.0028249 k( 240) = ( -0.3452852 0.5592876 0.0345945), wk = 0.0028249 k( 241) = ( -0.3452852 0.5592876 0.0518918), wk = 0.0028249 k( 242) = ( -0.3452852 0.5592876 0.0691891), wk = 0.0028249 k( 243) = ( -0.3452852 0.5592876 0.0864864), wk = 0.0028249 k( 244) = ( -0.3452852 0.5592876 0.1037836), wk = 0.0028249 k( 245) = ( -0.3452852 0.5592876 0.1210809), wk = 0.0028249 k( 246) = ( -0.3452852 0.5592876 0.1383782), wk = 0.0028249 k( 247) = ( -0.3452852 0.5592876 0.1556755), wk = 0.0028249 k( 248) = ( -0.3452852 0.5592876 0.1729727), wk = 0.0028249 k( 249) = ( -0.3452852 0.5592876 0.1902700), wk = 0.0028249 k( 250) = ( -0.3452852 0.5592876 0.2075673), wk = 0.0028249 k( 251) = ( -0.3452852 0.5592876 0.2248646), wk = 0.0028249 k( 252) = ( -0.3452852 0.5592876 0.2421618), wk = 0.0028249 k( 253) = ( -0.3452852 0.5592876 0.2594591), wk = 0.0028249 k( 254) = ( -0.3452852 0.5592876 0.2767564), wk = 0.0028249 k( 255) = ( -0.3452852 0.5592876 0.2940537), wk = 0.0028249 k( 256) = ( -0.3452852 0.5592876 0.3113509), wk = 0.0028249 k( 257) = ( -0.3452852 0.5592876 0.3286482), wk = 0.0028249 k( 258) = ( -0.3452852 0.5592876 0.3459455), wk = 0.0028249 k( 259) = ( -0.3452852 0.5592876 0.3632428), wk = 0.0028249 k( 260) = ( -0.3452852 0.5592876 0.3805400), wk = 0.0028249 k( 261) = ( -0.3452852 0.5592876 0.3978373), wk = 0.0028249 k( 262) = ( -0.3452852 0.5592876 0.4151346), wk = 0.0028249 k( 263) = ( -0.3452852 0.5592876 0.4324318), wk = 0.0028249 k( 264) = ( -0.3452852 0.5592876 0.4497291), wk = 0.0028249 k( 265) = ( -0.3452852 0.5592876 0.4670264), wk = 0.0028249 k( 266) = ( -0.3452852 0.5592876 0.4843237), wk = 0.0028249 k( 267) = ( -0.3452852 0.5592876 0.5016209), wk = 0.0028249 k( 268) = ( -0.3452852 0.5592876 0.5189182), wk = 0.0028249 k( 269) = ( -0.3452852 0.5592876 0.5362155), wk = 0.0028249 k( 270) = ( -0.3452852 0.5592876 0.5362155), wk = 0.0028249 k( 271) = ( -0.3543861 0.5445462 0.5362155), wk = 0.0028249 k( 272) = ( -0.3634870 0.5298047 0.5362155), wk = 0.0028249 k( 273) = ( -0.3725878 0.5150633 0.5362155), wk = 0.0028249 k( 274) = ( -0.3816887 0.5003219 0.5362155), wk = 0.0028249 k( 275) = ( -0.3907896 0.4855804 0.5362155), wk = 0.0028249 k( 276) = ( -0.3998904 0.4708390 0.5362155), wk = 0.0028249 k( 277) = ( -0.4089913 0.4560975 0.5362155), wk = 0.0028249 k( 278) = ( -0.4180922 0.4413561 0.5362155), wk = 0.0028249 k( 279) = ( -0.4271931 0.4266146 0.5362155), wk = 0.0028249 k( 280) = ( -0.4362939 0.4118732 0.5362155), wk = 0.0028249 k( 281) = ( -0.4453948 0.3971317 0.5362155), wk = 0.0028249 k( 282) = ( -0.4544956 0.3823903 0.5362155), wk = 0.0028249 k( 283) = ( -0.4635965 0.3676488 0.5362155), wk = 0.0028249 k( 284) = ( -0.4726974 0.3529074 0.5362155), wk = 0.0028249 k( 285) = ( -0.4817983 0.3381659 0.5362155), wk = 0.0028249 k( 286) = ( -0.4908991 0.3234245 0.5362155), wk = 0.0028249 k( 287) = ( -0.5000000 0.3086831 0.5362155), wk = 0.0028249 k( 288) = ( -0.5000000 0.3086831 0.5362155), wk = 0.0028249 k( 289) = ( -0.5000000 0.3086831 0.5189182), wk = 0.0028249 k( 290) = ( -0.5000000 0.3086831 0.5016209), wk = 0.0028249 k( 291) = ( -0.5000000 0.3086831 0.4843237), wk = 0.0028249 k( 292) = ( -0.5000000 0.3086831 0.4670264), wk = 0.0028249 k( 293) = ( -0.5000000 0.3086831 0.4497291), wk = 0.0028249 k( 294) = ( -0.5000000 0.3086831 0.4324318), wk = 0.0028249 k( 295) = ( -0.5000000 0.3086831 0.4151346), wk = 0.0028249 k( 296) = ( -0.5000000 0.3086831 0.3978373), wk = 0.0028249 k( 297) = ( -0.5000000 0.3086831 0.3805400), wk = 0.0028249 k( 298) = ( -0.5000000 0.3086831 0.3632428), wk = 0.0028249 k( 299) = ( -0.5000000 0.3086831 0.3459455), wk = 0.0028249 k( 300) = ( -0.5000000 0.3086831 0.3286482), wk = 0.0028249 k( 301) = ( -0.5000000 0.3086831 0.3113509), wk = 0.0028249 k( 302) = ( -0.5000000 0.3086831 0.2940537), wk = 0.0028249 k( 303) = ( -0.5000000 0.3086831 0.2767564), wk = 0.0028249 k( 304) = ( -0.5000000 0.3086831 0.2594591), wk = 0.0028249 k( 305) = ( -0.5000000 0.3086831 0.2421618), wk = 0.0028249 k( 306) = ( -0.5000000 0.3086831 0.2248646), wk = 0.0028249 k( 307) = ( -0.5000000 0.3086831 0.2075673), wk = 0.0028249 k( 308) = ( -0.5000000 0.3086831 0.1902700), wk = 0.0028249 k( 309) = ( -0.5000000 0.3086831 0.1729727), wk = 0.0028249 k( 310) = ( -0.5000000 0.3086831 0.1556755), wk = 0.0028249 k( 311) = ( -0.5000000 0.3086831 0.1383782), wk = 0.0028249 k( 312) = ( -0.5000000 0.3086831 0.1210809), wk = 0.0028249 k( 313) = ( -0.5000000 0.3086831 0.1037836), wk = 0.0028249 k( 314) = ( -0.5000000 0.3086831 0.0864864), wk = 0.0028249 k( 315) = ( -0.5000000 0.3086831 0.0691891), wk = 0.0028249 k( 316) = ( -0.5000000 0.3086831 0.0518918), wk = 0.0028249 k( 317) = ( -0.5000000 0.3086831 0.0345945), wk = 0.0028249 k( 318) = ( -0.5000000 0.3086831 0.0172973), wk = 0.0028249 k( 319) = ( -0.5000000 0.3086831 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5362155), wk = 0.0028249 k( 321) = ( -0.0147059 0.0090789 0.5362155), wk = 0.0028249 k( 322) = ( -0.0294118 0.0181578 0.5362155), wk = 0.0028249 k( 323) = ( -0.0441177 0.0272367 0.5362155), wk = 0.0028249 k( 324) = ( -0.0588235 0.0363157 0.5362155), wk = 0.0028249 k( 325) = ( -0.0735294 0.0453946 0.5362155), wk = 0.0028249 k( 326) = ( -0.0882353 0.0544735 0.5362155), wk = 0.0028249 k( 327) = ( -0.1029412 0.0635524 0.5362155), wk = 0.0028249 k( 328) = ( -0.1176471 0.0726313 0.5362155), wk = 0.0028249 k( 329) = ( -0.1323529 0.0817102 0.5362155), wk = 0.0028249 k( 330) = ( -0.1470588 0.0907891 0.5362155), wk = 0.0028249 k( 331) = ( -0.1617647 0.0998680 0.5362155), wk = 0.0028249 k( 332) = ( -0.1764706 0.1089470 0.5362155), wk = 0.0028249 k( 333) = ( -0.1911765 0.1180259 0.5362155), wk = 0.0028249 k( 334) = ( -0.2058823 0.1271048 0.5362155), wk = 0.0028249 k( 335) = ( -0.2205882 0.1361837 0.5362155), wk = 0.0028249 k( 336) = ( -0.2352941 0.1452626 0.5362155), wk = 0.0028249 k( 337) = ( -0.2500000 0.1543415 0.5362155), wk = 0.0028249 k( 338) = ( -0.2647059 0.1634204 0.5362155), wk = 0.0028249 k( 339) = ( -0.2794118 0.1724993 0.5362155), wk = 0.0028249 k( 340) = ( -0.2941177 0.1815783 0.5362155), wk = 0.0028249 k( 341) = ( -0.3088235 0.1906572 0.5362155), wk = 0.0028249 k( 342) = ( -0.3235294 0.1997361 0.5362155), wk = 0.0028249 k( 343) = ( -0.3382353 0.2088150 0.5362155), wk = 0.0028249 k( 344) = ( -0.3529412 0.2178939 0.5362155), wk = 0.0028249 k( 345) = ( -0.3676471 0.2269728 0.5362155), wk = 0.0028249 k( 346) = ( -0.3823529 0.2360517 0.5362155), wk = 0.0028249 k( 347) = ( -0.3970588 0.2451307 0.5362155), wk = 0.0028249 k( 348) = ( -0.4117647 0.2542096 0.5362155), wk = 0.0028249 k( 349) = ( -0.4264706 0.2632885 0.5362155), wk = 0.0028249 k( 350) = ( -0.4411765 0.2723674 0.5362155), wk = 0.0028249 k( 351) = ( -0.4558823 0.2814463 0.5362155), wk = 0.0028249 k( 352) = ( -0.4705882 0.2905252 0.5362155), wk = 0.0028249 k( 353) = ( -0.4852941 0.2996041 0.5362155), wk = 0.0028249 k( 354) = ( -0.5000000 0.3086831 0.5362155), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090864 0.0090864 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181729 0.0181729 0.0000000), wk = 0.0028249 k( 4) = ( 0.0272594 0.0272594 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363458 0.0363458 0.0000000), wk = 0.0028249 k( 6) = ( 0.0454323 0.0454323 0.0000000), wk = 0.0028249 k( 7) = ( 0.0545187 0.0545187 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0636052 0.0636052 0.0000000), wk = 0.0028249 k( 9) = ( 0.0726916 0.0726916 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817781 0.0817781 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908645 0.0908645 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999510 0.0999510 0.0000000), wk = 0.0028249 k( 13) = ( 0.1090374 0.1090374 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1181239 0.1181239 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1272103 0.1272104 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1362968 0.1362968 0.0000000), wk = 0.0028249 k( 17) = ( 0.1453832 0.1453832 0.0000000), wk = 0.0028249 k( 18) = ( 0.1544697 0.1544697 0.0000000), wk = 0.0028249 k( 19) = ( 0.1635562 0.1635562 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1726426 0.1726426 0.0000000), wk = 0.0028249 k( 21) = ( 0.1817291 0.1817291 0.0000000), wk = 0.0028249 k( 22) = ( 0.1908155 0.1908155 0.0000000), wk = 0.0028249 k( 23) = ( 0.1999020 0.1999020 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2089884 0.2089884 0.0000000), wk = 0.0028249 k( 25) = ( 0.2180749 0.2180749 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2271613 0.2271613 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2362478 0.2362478 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2453342 0.2453342 0.0000000), wk = 0.0028249 k( 29) = ( 0.2544207 0.2544207 0.0000000), wk = 0.0028249 k( 30) = ( 0.2635072 0.2635072 0.0000000), wk = 0.0028249 k( 31) = ( 0.2725936 0.2725936 0.0000000), wk = 0.0028249 k( 32) = ( 0.2816801 0.2816800 0.0000000), wk = 0.0028249 k( 33) = ( 0.2907665 0.2907665 0.0000000), wk = 0.0028249 k( 34) = ( 0.2998530 0.2998530 0.0000000), wk = 0.0028249 k( 35) = ( 0.3089394 0.3089394 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3180259 0.3180259 0.0000000), wk = 0.0028249 k( 37) = ( 0.3271123 0.3271123 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3361988 0.3361988 0.0000000), wk = 0.0028249 k( 39) = ( 0.3452852 0.3452852 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3452852 0.3452852 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3280210 0.3530210 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3107567 0.3607567 0.0000000), wk = 0.0028249 k( 43) = ( 0.2934924 0.3684924 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2762282 0.3762282 0.0000000), wk = 0.0028249 k( 45) = ( 0.2589639 0.3839639 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416997 0.3916997 0.0000000), wk = 0.0028249 k( 47) = ( 0.2244354 0.3994354 0.0000000), wk = 0.0028249 k( 48) = ( 0.2071711 0.4071711 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1899069 0.4149069 0.0000000), wk = 0.0028249 k( 50) = ( 0.1726426 0.4226426 0.0000000), wk = 0.0028249 k( 51) = ( 0.1553783 0.4303784 0.0000000), wk = 0.0028249 k( 52) = ( 0.1381141 0.4381141 0.0000000), wk = 0.0028249 k( 53) = ( 0.1208498 0.4458498 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1035856 0.4535856 0.0000000), wk = 0.0028249 k( 55) = ( 0.0863213 0.4613213 0.0000000), wk = 0.0028249 k( 56) = ( 0.0690570 0.4690570 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0517928 0.4767928 0.0000000), wk = 0.0028249 k( 58) = ( 0.0345285 0.4845285 0.0000000), wk = 0.0028249 k( 59) = ( 0.0172643 0.4922643 0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028249 k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028249 k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028249 k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028249 k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028249 k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028249 k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028249 k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028249 k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028249 k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028249 k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028249 k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028249 k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028249 k( 75) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0028249 k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028249 k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028249 k( 78) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0028249 k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028249 k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028249 k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028249 k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028249 k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028249 k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028249 k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028249 k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028249 k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028249 k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028249 k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028249 k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028249 k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028249 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 94) = ( 0.0172643 0.4922643 0.5000000), wk = 0.0028249 k( 95) = ( 0.0345285 0.4845285 0.5000000), wk = 0.0028249 k( 96) = ( 0.0517928 0.4767928 0.5000000), wk = 0.0028249 k( 97) = ( 0.0690570 0.4690570 0.5000000), wk = 0.0028249 k( 98) = ( 0.0863213 0.4613213 0.5000000), wk = 0.0028249 k( 99) = ( 0.1035856 0.4535856 0.5000000), wk = 0.0028249 k( 100) = ( 0.1208498 0.4458498 0.5000000), wk = 0.0028249 k( 101) = ( 0.1381141 0.4381141 0.5000000), wk = 0.0028249 k( 102) = ( 0.1553783 0.4303784 0.5000000), wk = 0.0028249 k( 103) = ( 0.1726426 0.4226426 0.5000000), wk = 0.0028249 k( 104) = ( 0.1899069 0.4149069 0.5000000), wk = 0.0028249 k( 105) = ( 0.2071711 0.4071711 0.5000000), wk = 0.0028249 k( 106) = ( 0.2244354 0.3994354 0.5000000), wk = 0.0028249 k( 107) = ( 0.2416997 0.3916997 0.5000000), wk = 0.0028249 k( 108) = ( 0.2589639 0.3839639 0.5000000), wk = 0.0028249 k( 109) = ( 0.2762282 0.3762282 0.5000000), wk = 0.0028249 k( 110) = ( 0.2934924 0.3684924 0.5000000), wk = 0.0028249 k( 111) = ( 0.3107567 0.3607567 0.5000000), wk = 0.0028249 k( 112) = ( 0.3280210 0.3530210 0.5000000), wk = 0.0028249 k( 113) = ( 0.3452852 0.3452852 0.5000000), wk = 0.0028249 k( 114) = ( 0.3452852 0.3452852 0.5000000), wk = 0.0028249 k( 115) = ( 0.3361988 0.3361988 0.5000000), wk = 0.0028249 k( 116) = ( 0.3271123 0.3271123 0.5000000), wk = 0.0028249 k( 117) = ( 0.3180259 0.3180259 0.5000000), wk = 0.0028249 k( 118) = ( 0.3089394 0.3089394 0.5000000), wk = 0.0028249 k( 119) = ( 0.2998530 0.2998530 0.5000000), wk = 0.0028249 k( 120) = ( 0.2907665 0.2907665 0.5000000), wk = 0.0028249 k( 121) = ( 0.2816801 0.2816800 0.5000000), wk = 0.0028249 k( 122) = ( 0.2725936 0.2725936 0.5000000), wk = 0.0028249 k( 123) = ( 0.2635072 0.2635072 0.5000000), wk = 0.0028249 k( 124) = ( 0.2544207 0.2544207 0.5000000), wk = 0.0028249 k( 125) = ( 0.2453342 0.2453342 0.5000000), wk = 0.0028249 k( 126) = ( 0.2362478 0.2362478 0.5000000), wk = 0.0028249 k( 127) = ( 0.2271613 0.2271613 0.5000000), wk = 0.0028249 k( 128) = ( 0.2180749 0.2180749 0.5000000), wk = 0.0028249 k( 129) = ( 0.2089884 0.2089884 0.5000000), wk = 0.0028249 k( 130) = ( 0.1999020 0.1999020 0.5000000), wk = 0.0028249 k( 131) = ( 0.1908155 0.1908155 0.5000000), wk = 0.0028249 k( 132) = ( 0.1817291 0.1817291 0.5000000), wk = 0.0028249 k( 133) = ( 0.1726426 0.1726426 0.5000000), wk = 0.0028249 k( 134) = ( 0.1635562 0.1635562 0.5000000), wk = 0.0028249 k( 135) = ( 0.1544697 0.1544697 0.5000000), wk = 0.0028249 k( 136) = ( 0.1453832 0.1453832 0.5000000), wk = 0.0028249 k( 137) = ( 0.1362968 0.1362968 0.5000000), wk = 0.0028249 k( 138) = ( 0.1272103 0.1272104 0.5000000), wk = 0.0028249 k( 139) = ( 0.1181239 0.1181239 0.5000000), wk = 0.0028249 k( 140) = ( 0.1090374 0.1090374 0.5000000), wk = 0.0028249 k( 141) = ( 0.0999510 0.0999510 0.5000000), wk = 0.0028249 k( 142) = ( 0.0908645 0.0908645 0.5000000), wk = 0.0028249 k( 143) = ( 0.0817781 0.0817781 0.5000000), wk = 0.0028249 k( 144) = ( 0.0726916 0.0726916 0.5000000), wk = 0.0028249 k( 145) = ( 0.0636052 0.0636052 0.5000000), wk = 0.0028249 k( 146) = ( 0.0545187 0.0545187 0.5000000), wk = 0.0028249 k( 147) = ( 0.0454323 0.0454323 0.5000000), wk = 0.0028249 k( 148) = ( 0.0363458 0.0363458 0.5000000), wk = 0.0028249 k( 149) = ( 0.0272594 0.0272594 0.5000000), wk = 0.0028249 k( 150) = ( 0.0181729 0.0181729 0.5000000), wk = 0.0028249 k( 151) = ( 0.0090864 0.0090864 0.5000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0147059 0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0294118 0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0441177 0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0735294 0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0882353 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.1029412 0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.1323529 0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.1470588 0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.1617647 0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1764706 0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1911765 0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.2058823 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.2205882 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.2647059 0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.2794118 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.2941177 0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.3088235 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.3235294 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.3382353 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.3529412 0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.3676471 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.3823529 0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.3970588 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.4117647 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.4264706 0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.4411765 -0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.4558824 0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.4852941 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 221) = ( -0.4908991 0.5091009 0.0000000), wk = 0.0028249 k( 222) = ( -0.4817983 0.5182017 0.0000000), wk = 0.0028249 k( 223) = ( -0.4726974 0.5273026 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4635965 0.5364035 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544956 0.5455043 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4453948 0.5546052 0.0000000), wk = 0.0028249 k( 227) = ( -0.4362939 0.5637061 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4271931 0.5728070 0.0000000), wk = 0.0028249 k( 229) = ( -0.4180922 0.5819078 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4089913 0.5910087 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3998904 0.6001096 0.0000000), wk = 0.0028249 k( 232) = ( -0.3907896 0.6092104 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3816887 0.6183113 0.0000000), wk = 0.0028249 k( 234) = ( -0.3725878 0.6274122 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3634870 0.6365130 0.0000000), wk = 0.0028249 k( 236) = ( -0.3543861 0.6456139 0.0000000), wk = 0.0028249 k( 237) = ( -0.3452852 0.6547148 0.0000000), wk = 0.0028249 k( 238) = ( -0.3452852 0.6547148 0.0000000), wk = 0.0028249 k( 239) = ( -0.3452852 0.6547148 0.0161290), wk = 0.0028249 k( 240) = ( -0.3452852 0.6547148 0.0322581), wk = 0.0028249 k( 241) = ( -0.3452852 0.6547148 0.0483871), wk = 0.0028249 k( 242) = ( -0.3452852 0.6547148 0.0645161), wk = 0.0028249 k( 243) = ( -0.3452852 0.6547148 0.0806452), wk = 0.0028249 k( 244) = ( -0.3452852 0.6547148 0.0967742), wk = 0.0028249 k( 245) = ( -0.3452852 0.6547148 0.1129032), wk = 0.0028249 k( 246) = ( -0.3452852 0.6547148 0.1290323), wk = 0.0028249 k( 247) = ( -0.3452852 0.6547148 0.1451613), wk = 0.0028249 k( 248) = ( -0.3452852 0.6547148 0.1612903), wk = 0.0028249 k( 249) = ( -0.3452852 0.6547148 0.1774194), wk = 0.0028249 k( 250) = ( -0.3452852 0.6547148 0.1935484), wk = 0.0028249 k( 251) = ( -0.3452852 0.6547148 0.2096774), wk = 0.0028249 k( 252) = ( -0.3452852 0.6547148 0.2258065), wk = 0.0028249 k( 253) = ( -0.3452852 0.6547148 0.2419355), wk = 0.0028249 k( 254) = ( -0.3452852 0.6547148 0.2580645), wk = 0.0028249 k( 255) = ( -0.3452852 0.6547148 0.2741936), wk = 0.0028249 k( 256) = ( -0.3452852 0.6547148 0.2903226), wk = 0.0028249 k( 257) = ( -0.3452852 0.6547148 0.3064516), wk = 0.0028249 k( 258) = ( -0.3452852 0.6547148 0.3225807), wk = 0.0028249 k( 259) = ( -0.3452852 0.6547148 0.3387097), wk = 0.0028249 k( 260) = ( -0.3452852 0.6547148 0.3548387), wk = 0.0028249 k( 261) = ( -0.3452852 0.6547148 0.3709677), wk = 0.0028249 k( 262) = ( -0.3452852 0.6547148 0.3870968), wk = 0.0028249 k( 263) = ( -0.3452852 0.6547148 0.4032258), wk = 0.0028249 k( 264) = ( -0.3452852 0.6547148 0.4193548), wk = 0.0028249 k( 265) = ( -0.3452852 0.6547148 0.4354839), wk = 0.0028249 k( 266) = ( -0.3452852 0.6547148 0.4516129), wk = 0.0028249 k( 267) = ( -0.3452852 0.6547148 0.4677419), wk = 0.0028249 k( 268) = ( -0.3452852 0.6547148 0.4838710), wk = 0.0028249 k( 269) = ( -0.3452852 0.6547148 0.5000000), wk = 0.0028249 k( 270) = ( -0.3452852 0.6547148 0.5000000), wk = 0.0028249 k( 271) = ( -0.3543861 0.6456139 0.5000000), wk = 0.0028249 k( 272) = ( -0.3634870 0.6365130 0.5000000), wk = 0.0028249 k( 273) = ( -0.3725878 0.6274122 0.5000000), wk = 0.0028249 k( 274) = ( -0.3816887 0.6183113 0.5000000), wk = 0.0028249 k( 275) = ( -0.3907896 0.6092104 0.5000000), wk = 0.0028249 k( 276) = ( -0.3998904 0.6001096 0.5000000), wk = 0.0028249 k( 277) = ( -0.4089913 0.5910087 0.5000000), wk = 0.0028249 k( 278) = ( -0.4180922 0.5819078 0.5000000), wk = 0.0028249 k( 279) = ( -0.4271931 0.5728070 0.5000000), wk = 0.0028249 k( 280) = ( -0.4362939 0.5637061 0.5000000), wk = 0.0028249 k( 281) = ( -0.4453948 0.5546052 0.5000000), wk = 0.0028249 k( 282) = ( -0.4544956 0.5455043 0.5000000), wk = 0.0028249 k( 283) = ( -0.4635965 0.5364035 0.5000000), wk = 0.0028249 k( 284) = ( -0.4726974 0.5273026 0.5000000), wk = 0.0028249 k( 285) = ( -0.4817983 0.5182017 0.5000000), wk = 0.0028249 k( 286) = ( -0.4908991 0.5091009 0.5000000), wk = 0.0028249 k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 288) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 289) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028249 k( 290) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028249 k( 291) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028249 k( 292) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028249 k( 293) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028249 k( 294) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028249 k( 295) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028249 k( 296) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028249 k( 297) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028249 k( 298) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028249 k( 299) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0028249 k( 300) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028249 k( 301) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028249 k( 302) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0028249 k( 303) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028249 k( 304) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028249 k( 305) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0028249 k( 306) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028249 k( 307) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028249 k( 308) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0028249 k( 309) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028249 k( 310) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028249 k( 311) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028249 k( 312) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028249 k( 313) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028249 k( 314) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028249 k( 315) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028249 k( 316) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028249 k( 317) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028249 k( 318) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028249 k( 319) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 321) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028249 k( 322) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028249 k( 323) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0028249 k( 324) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028249 k( 325) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028249 k( 326) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028249 k( 327) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028249 k( 328) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028249 k( 329) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028249 k( 330) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028249 k( 331) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028249 k( 332) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028249 k( 333) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028249 k( 334) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028249 k( 335) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028249 k( 336) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028249 k( 337) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028249 k( 338) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028249 k( 339) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028249 k( 340) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0028249 k( 341) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028249 k( 342) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028249 k( 343) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028249 k( 344) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028249 k( 345) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028249 k( 346) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028249 k( 347) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028249 k( 348) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028249 k( 349) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028249 k( 350) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028249 k( 351) = ( -0.4558823 0.4558824 0.5000000), wk = 0.0028249 k( 352) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028249 k( 353) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028249 k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 90999 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 40215 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 212, 58) NL pseudopotentials 0.23 Mb ( 106, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1896) G-vector shells 0.01 Mb ( 974) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 212, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.8 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.1 secs Computing kpt #: 3 total cpu time spent up to now is 51.9 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.9 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.0 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.0 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.1 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.1 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.0 secs Computing kpt #: 10 total cpu time spent up to now is 85.6 secs Computing kpt #: 11 total cpu time spent up to now is 89.3 secs Computing kpt #: 12 total cpu time spent up to now is 92.8 secs Computing kpt #: 13 total cpu time spent up to now is 96.5 secs Computing kpt #: 14 total cpu time spent up to now is 101.1 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.0 secs Computing kpt #: 16 total cpu time spent up to now is 110.2 secs Computing kpt #: 17 total cpu time spent up to now is 113.2 secs Computing kpt #: 18 total cpu time spent up to now is 115.9 secs Computing kpt #: 19 total cpu time spent up to now is 118.6 secs Computing kpt #: 20 total cpu time spent up to now is 121.8 secs Computing kpt #: 21 total cpu time spent up to now is 124.6 secs Computing kpt #: 22 total cpu time spent up to now is 127.3 secs Computing kpt #: 23 total cpu time spent up to now is 129.6 secs Computing kpt #: 24 total cpu time spent up to now is 132.4 secs Computing kpt #: 25 total cpu time spent up to now is 135.1 secs Computing kpt #: 26 total cpu time spent up to now is 137.5 secs Computing kpt #: 27 total cpu time spent up to now is 139.9 secs Computing kpt #: 28 total cpu time spent up to now is 142.4 secs Computing kpt #: 29 total cpu time spent up to now is 144.9 secs Computing kpt #: 30 total cpu time spent up to now is 147.6 secs Computing kpt #: 31 total cpu time spent up to now is 150.5 secs Computing kpt #: 32 total cpu time spent up to now is 153.8 secs Computing kpt #: 33 total cpu time spent up to now is 156.3 secs Computing kpt #: 34 total cpu time spent up to now is 158.5 secs Computing kpt #: 35 total cpu time spent up to now is 160.9 secs Computing kpt #: 36 total cpu time spent up to now is 163.1 secs Computing kpt #: 37 total cpu time spent up to now is 165.7 secs Computing kpt #: 38 total cpu time spent up to now is 167.9 secs Computing kpt #: 39 total cpu time spent up to now is 170.1 secs Computing kpt #: 40 total cpu time spent up to now is 172.2 secs Computing kpt #: 41 total cpu time spent up to now is 174.4 secs Computing kpt #: 42 total cpu time spent up to now is 176.9 secs Computing kpt #: 43 total cpu time spent up to now is 179.1 secs Computing kpt #: 44 total cpu time spent up to now is 181.3 secs Computing kpt #: 45 total cpu time spent up to now is 183.5 secs Computing kpt #: 46 total cpu time spent up to now is 185.7 secs Computing kpt #: 47 total cpu time spent up to now is 187.9 secs Computing kpt #: 48 total cpu time spent up to now is 190.5 secs Computing kpt #: 49 total cpu time spent up to now is 193.1 secs Computing kpt #: 50 total cpu time spent up to now is 195.9 secs Computing kpt #: 51 total cpu time spent up to now is 198.6 secs Computing kpt #: 52 total cpu time spent up to now is 201.7 secs Computing kpt #: 53 total cpu time spent up to now is 204.7 secs Computing kpt #: 54 total cpu time spent up to now is 207.6 secs Computing kpt #: 55 total cpu time spent up to now is 210.5 secs Computing kpt #: 56 total cpu time spent up to now is 213.9 secs Computing kpt #: 57 total cpu time spent up to now is 216.8 secs Computing kpt #: 58 total cpu time spent up to now is 219.8 secs Computing kpt #: 59 total cpu time spent up to now is 222.9 secs Computing kpt #: 60 total cpu time spent up to now is 225.7 secs Computing kpt #: 61 total cpu time spent up to now is 228.7 secs Computing kpt #: 62 total cpu time spent up to now is 231.5 secs Computing kpt #: 63 total cpu time spent up to now is 234.3 secs Computing kpt #: 64 total cpu time spent up to now is 237.2 secs Computing kpt #: 65 total cpu time spent up to now is 240.0 secs Computing kpt #: 66 total cpu time spent up to now is 242.5 secs Computing kpt #: 67 total cpu time spent up to now is 245.1 secs Computing kpt #: 68 total cpu time spent up to now is 247.9 secs Computing kpt #: 69 total cpu time spent up to now is 250.9 secs Computing kpt #: 70 total cpu time spent up to now is 253.7 secs Computing kpt #: 71 total cpu time spent up to now is 256.7 secs Computing kpt #: 72 total cpu time spent up to now is 260.2 secs Computing kpt #: 73 total cpu time spent up to now is 263.7 secs Computing kpt #: 74 total cpu time spent up to now is 267.2 secs Computing kpt #: 75 total cpu time spent up to now is 270.7 secs Computing kpt #: 76 total cpu time spent up to now is 274.7 secs Computing kpt #: 77 total cpu time spent up to now is 279.4 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.4 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.5 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.4 secs Computing kpt #: 81 total cpu time spent up to now is 300.5 secs Computing kpt #: 82 total cpu time spent up to now is 304.3 secs Computing kpt #: 83 total cpu time spent up to now is 307.6 secs Computing kpt #: 84 total cpu time spent up to now is 310.7 secs Computing kpt #: 85 total cpu time spent up to now is 313.6 secs Computing kpt #: 86 total cpu time spent up to now is 316.4 secs Computing kpt #: 87 total cpu time spent up to now is 319.3 secs Computing kpt #: 88 total cpu time spent up to now is 322.4 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.1 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.1 secs Computing kpt #: 91 total cpu time spent up to now is 336.5 secs Computing kpt #: 92 total cpu time spent up to now is 339.2 secs Computing kpt #: 93 total cpu time spent up to now is 343.4 secs Computing kpt #: 94 total cpu time spent up to now is 347.1 secs Computing kpt #: 95 total cpu time spent up to now is 350.5 secs Computing kpt #: 96 total cpu time spent up to now is 353.3 secs Computing kpt #: 97 total cpu time spent up to now is 356.6 secs Computing kpt #: 98 total cpu time spent up to now is 359.5 secs Computing kpt #: 99 total cpu time spent up to now is 362.6 secs Computing kpt #: 100 total cpu time spent up to now is 366.0 secs Computing kpt #: 101 total cpu time spent up to now is 369.2 secs Computing kpt #: 102 total cpu time spent up to now is 371.9 secs Computing kpt #: 103 total cpu time spent up to now is 375.5 secs Computing kpt #: 104 total cpu time spent up to now is 378.2 secs Computing kpt #: 105 total cpu time spent up to now is 381.0 secs Computing kpt #: 106 total cpu time spent up to now is 383.7 secs Computing kpt #: 107 total cpu time spent up to now is 386.5 secs Computing kpt #: 108 total cpu time spent up to now is 389.4 secs Computing kpt #: 109 total cpu time spent up to now is 392.2 secs Computing kpt #: 110 total cpu time spent up to now is 395.0 secs Computing kpt #: 111 total cpu time spent up to now is 397.9 secs Computing kpt #: 112 total cpu time spent up to now is 400.7 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 405.4 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 410.2 secs Computing kpt #: 115 total cpu time spent up to now is 414.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.5 secs Computing kpt #: 117 total cpu time spent up to now is 422.8 secs Computing kpt #: 118 total cpu time spent up to now is 426.3 secs Computing kpt #: 119 total cpu time spent up to now is 429.4 secs Computing kpt #: 120 total cpu time spent up to now is 432.8 secs Computing kpt #: 121 total cpu time spent up to now is 436.3 secs Computing kpt #: 122 total cpu time spent up to now is 439.5 secs Computing kpt #: 123 total cpu time spent up to now is 442.8 secs Computing kpt #: 124 total cpu time spent up to now is 446.7 secs Computing kpt #: 125 total cpu time spent up to now is 449.0 secs Computing kpt #: 126 total cpu time spent up to now is 452.4 secs Computing kpt #: 127 total cpu time spent up to now is 455.0 secs Computing kpt #: 128 total cpu time spent up to now is 458.3 secs Computing kpt #: 129 total cpu time spent up to now is 461.5 secs Computing kpt #: 130 total cpu time spent up to now is 465.7 secs Computing kpt #: 131 total cpu time spent up to now is 468.4 secs Computing kpt #: 132 total cpu time spent up to now is 472.8 secs Computing kpt #: 133 total cpu time spent up to now is 476.2 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 480.6 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.2 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 489.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 494.7 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 499.3 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.1 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.9 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.6 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.5 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 523.2 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 528.1 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 532.6 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.7 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 542.5 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 547.3 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 552.0 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 557.4 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 561.8 secs Computing kpt #: 152 total cpu time spent up to now is 563.9 secs Computing kpt #: 153 total cpu time spent up to now is 566.3 secs Computing kpt #: 154 total cpu time spent up to now is 568.7 secs Computing kpt #: 155 total cpu time spent up to now is 570.9 secs Computing kpt #: 156 total cpu time spent up to now is 573.2 secs Computing kpt #: 157 total cpu time spent up to now is 575.5 secs Computing kpt #: 158 total cpu time spent up to now is 578.2 secs Computing kpt #: 159 total cpu time spent up to now is 581.3 secs Computing kpt #: 160 total cpu time spent up to now is 583.3 secs Computing kpt #: 161 total cpu time spent up to now is 585.2 secs Computing kpt #: 162 total cpu time spent up to now is 587.7 secs Computing kpt #: 163 total cpu time spent up to now is 590.6 secs Computing kpt #: 164 total cpu time spent up to now is 592.6 secs Computing kpt #: 165 total cpu time spent up to now is 594.7 secs Computing kpt #: 166 total cpu time spent up to now is 596.7 secs Computing kpt #: 167 total cpu time spent up to now is 598.6 secs Computing kpt #: 168 total cpu time spent up to now is 600.9 secs Computing kpt #: 169 total cpu time spent up to now is 602.8 secs Computing kpt #: 170 total cpu time spent up to now is 604.8 secs Computing kpt #: 171 total cpu time spent up to now is 607.4 secs Computing kpt #: 172 total cpu time spent up to now is 609.5 secs Computing kpt #: 173 total cpu time spent up to now is 611.6 secs Computing kpt #: 174 total cpu time spent up to now is 614.1 secs Computing kpt #: 175 total cpu time spent up to now is 616.4 secs Computing kpt #: 176 total cpu time spent up to now is 618.6 secs Computing kpt #: 177 total cpu time spent up to now is 620.7 secs Computing kpt #: 178 total cpu time spent up to now is 623.0 secs Computing kpt #: 179 total cpu time spent up to now is 625.5 secs Computing kpt #: 180 total cpu time spent up to now is 628.1 secs Computing kpt #: 181 total cpu time spent up to now is 630.8 secs Computing kpt #: 182 total cpu time spent up to now is 634.4 secs Computing kpt #: 183 total cpu time spent up to now is 638.4 secs Computing kpt #: 184 total cpu time spent up to now is 642.5 secs Computing kpt #: 185 total cpu time spent up to now is 648.6 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 653.6 secs Computing kpt #: 187 total cpu time spent up to now is 657.6 secs Computing kpt #: 188 total cpu time spent up to now is 661.2 secs Computing kpt #: 189 total cpu time spent up to now is 664.5 secs Computing kpt #: 190 total cpu time spent up to now is 667.5 secs Computing kpt #: 191 total cpu time spent up to now is 670.3 secs Computing kpt #: 192 total cpu time spent up to now is 673.4 secs Computing kpt #: 193 total cpu time spent up to now is 676.0 secs Computing kpt #: 194 total cpu time spent up to now is 678.7 secs Computing kpt #: 195 total cpu time spent up to now is 681.3 secs Computing kpt #: 196 total cpu time spent up to now is 684.5 secs Computing kpt #: 197 total cpu time spent up to now is 687.1 secs Computing kpt #: 198 total cpu time spent up to now is 689.3 secs Computing kpt #: 199 total cpu time spent up to now is 692.5 secs Computing kpt #: 200 total cpu time spent up to now is 694.7 secs Computing kpt #: 201 total cpu time spent up to now is 697.0 secs Computing kpt #: 202 total cpu time spent up to now is 699.3 secs Computing kpt #: 203 total cpu time spent up to now is 701.5 secs Computing kpt #: 204 total cpu time spent up to now is 703.7 secs Computing kpt #: 205 total cpu time spent up to now is 706.1 secs Computing kpt #: 206 total cpu time spent up to now is 708.9 secs Computing kpt #: 207 total cpu time spent up to now is 711.0 secs Computing kpt #: 208 total cpu time spent up to now is 713.3 secs Computing kpt #: 209 total cpu time spent up to now is 715.6 secs Computing kpt #: 210 total cpu time spent up to now is 717.8 secs Computing kpt #: 211 total cpu time spent up to now is 720.0 secs Computing kpt #: 212 total cpu time spent up to now is 722.8 secs Computing kpt #: 213 total cpu time spent up to now is 725.9 secs Computing kpt #: 214 total cpu time spent up to now is 728.5 secs Computing kpt #: 215 total cpu time spent up to now is 730.8 secs Computing kpt #: 216 total cpu time spent up to now is 733.1 secs Computing kpt #: 217 total cpu time spent up to now is 735.4 secs Computing kpt #: 218 total cpu time spent up to now is 737.9 secs Computing kpt #: 219 total cpu time spent up to now is 740.4 secs Computing kpt #: 220 total cpu time spent up to now is 742.7 secs Computing kpt #: 221 total cpu time spent up to now is 745.3 secs Computing kpt #: 222 total cpu time spent up to now is 747.8 secs Computing kpt #: 223 total cpu time spent up to now is 750.4 secs Computing kpt #: 224 total cpu time spent up to now is 752.8 secs Computing kpt #: 225 total cpu time spent up to now is 755.2 secs Computing kpt #: 226 total cpu time spent up to now is 757.9 secs Computing kpt #: 227 total cpu time spent up to now is 760.5 secs Computing kpt #: 228 total cpu time spent up to now is 763.2 secs Computing kpt #: 229 total cpu time spent up to now is 766.1 secs Computing kpt #: 230 total cpu time spent up to now is 768.5 secs Computing kpt #: 231 total cpu time spent up to now is 770.8 secs Computing kpt #: 232 total cpu time spent up to now is 773.5 secs Computing kpt #: 233 total cpu time spent up to now is 776.5 secs Computing kpt #: 234 total cpu time spent up to now is 779.3 secs Computing kpt #: 235 total cpu time spent up to now is 782.0 secs Computing kpt #: 236 total cpu time spent up to now is 784.5 secs Computing kpt #: 237 total cpu time spent up to now is 786.9 secs Computing kpt #: 238 total cpu time spent up to now is 789.5 secs Computing kpt #: 239 total cpu time spent up to now is 791.6 secs Computing kpt #: 240 total cpu time spent up to now is 794.1 secs Computing kpt #: 241 total cpu time spent up to now is 796.6 secs Computing kpt #: 242 total cpu time spent up to now is 798.9 secs Computing kpt #: 243 total cpu time spent up to now is 801.8 secs Computing kpt #: 244 total cpu time spent up to now is 804.5 secs Computing kpt #: 245 total cpu time spent up to now is 807.2 secs Computing kpt #: 246 total cpu time spent up to now is 809.4 secs Computing kpt #: 247 total cpu time spent up to now is 811.8 secs Computing kpt #: 248 total cpu time spent up to now is 814.0 secs Computing kpt #: 249 total cpu time spent up to now is 816.4 secs Computing kpt #: 250 total cpu time spent up to now is 818.7 secs Computing kpt #: 251 total cpu time spent up to now is 821.1 secs Computing kpt #: 252 total cpu time spent up to now is 823.7 secs Computing kpt #: 253 total cpu time spent up to now is 825.9 secs Computing kpt #: 254 total cpu time spent up to now is 829.1 secs Computing kpt #: 255 total cpu time spent up to now is 831.6 secs Computing kpt #: 256 total cpu time spent up to now is 834.1 secs Computing kpt #: 257 total cpu time spent up to now is 836.4 secs Computing kpt #: 258 total cpu time spent up to now is 839.1 secs Computing kpt #: 259 total cpu time spent up to now is 841.5 secs Computing kpt #: 260 total cpu time spent up to now is 844.1 secs Computing kpt #: 261 total cpu time spent up to now is 846.8 secs Computing kpt #: 262 total cpu time spent up to now is 849.4 secs Computing kpt #: 263 total cpu time spent up to now is 851.9 secs Computing kpt #: 264 total cpu time spent up to now is 854.5 secs Computing kpt #: 265 total cpu time spent up to now is 857.3 secs Computing kpt #: 266 total cpu time spent up to now is 860.0 secs Computing kpt #: 267 total cpu time spent up to now is 862.8 secs Computing kpt #: 268 total cpu time spent up to now is 865.7 secs Computing kpt #: 269 total cpu time spent up to now is 870.2 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 875.0 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 879.7 secs Computing kpt #: 272 total cpu time spent up to now is 881.9 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 886.8 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 891.4 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 896.2 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 900.8 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 906.0 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 910.8 secs Computing kpt #: 279 total cpu time spent up to now is 913.6 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 918.6 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 923.3 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 928.2 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 933.5 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 938.4 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 943.7 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 948.7 secs Computing kpt #: 287 total cpu time spent up to now is 950.7 secs Computing kpt #: 288 total cpu time spent up to now is 952.9 secs Computing kpt #: 289 total cpu time spent up to now is 955.7 secs Computing kpt #: 290 total cpu time spent up to now is 958.3 secs Computing kpt #: 291 total cpu time spent up to now is 961.1 secs Computing kpt #: 292 total cpu time spent up to now is 963.5 secs Computing kpt #: 293 total cpu time spent up to now is 966.1 secs Computing kpt #: 294 total cpu time spent up to now is 968.3 secs Computing kpt #: 295 total cpu time spent up to now is 970.5 secs Computing kpt #: 296 total cpu time spent up to now is 972.8 secs Computing kpt #: 297 total cpu time spent up to now is 975.0 secs Computing kpt #: 298 total cpu time spent up to now is 977.1 secs Computing kpt #: 299 total cpu time spent up to now is 979.4 secs Computing kpt #: 300 total cpu time spent up to now is 981.7 secs Computing kpt #: 301 total cpu time spent up to now is 983.8 secs Computing kpt #: 302 total cpu time spent up to now is 986.2 secs Computing kpt #: 303 total cpu time spent up to now is 988.4 secs Computing kpt #: 304 total cpu time spent up to now is 990.7 secs Computing kpt #: 305 total cpu time spent up to now is 992.9 secs Computing kpt #: 306 total cpu time spent up to now is 995.2 secs Computing kpt #: 307 total cpu time spent up to now is 997.4 secs Computing kpt #: 308 total cpu time spent up to now is 999.7 secs Computing kpt #: 309 total cpu time spent up to now is 1002.0 secs Computing kpt #: 310 total cpu time spent up to now is 1004.6 secs Computing kpt #: 311 total cpu time spent up to now is 1007.2 secs Computing kpt #: 312 total cpu time spent up to now is 1010.1 secs Computing kpt #: 313 total cpu time spent up to now is 1013.7 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1018.8 secs Computing kpt #: 315 total cpu time spent up to now is 1021.4 secs Computing kpt #: 316 total cpu time spent up to now is 1023.6 secs Computing kpt #: 317 total cpu time spent up to now is 1026.1 secs Computing kpt #: 318 total cpu time spent up to now is 1029.0 secs Computing kpt #: 319 total cpu time spent up to now is 1031.2 secs Computing kpt #: 320 total cpu time spent up to now is 1033.6 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1038.2 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1042.9 secs Computing kpt #: 323 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1048.0 secs Computing kpt #: 324 total cpu time spent up to now is 1050.4 secs Computing kpt #: 325 total cpu time spent up to now is 1052.8 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1057.4 secs Computing kpt #: 327 total cpu time spent up to now is 1061.3 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1066.1 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1071.0 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1075.7 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1080.3 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1085.0 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1089.6 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1094.3 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1098.9 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1103.5 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1108.2 secs Computing kpt #: 338 total cpu time spent up to now is 1112.0 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1116.7 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1121.4 secs Computing kpt #: 341 total cpu time spent up to now is 1125.3 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1130.1 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1134.8 secs Computing kpt #: 344 total cpu time spent up to now is 1138.8 secs Computing kpt #: 345 total cpu time spent up to now is 1142.7 secs Computing kpt #: 346 total cpu time spent up to now is 1146.6 secs Computing kpt #: 347 total cpu time spent up to now is 1150.5 secs Computing kpt #: 348 total cpu time spent up to now is 1153.9 secs Computing kpt #: 349 total cpu time spent up to now is 1157.7 secs Computing kpt #: 350 total cpu time spent up to now is 1160.9 secs Computing kpt #: 351 total cpu time spent up to now is 1164.9 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1169.5 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1174.4 secs Computing kpt #: 354 total cpu time spent up to now is 1176.4 secs ethr = 2.08E-11, avg # of iterations = 60.4 total cpu time spent up to now is 1176.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -13.7637 -13.7637 -13.1257 -13.1257 -11.4272 -11.4272 -9.9776 -9.9776 -9.9008 -9.9008 -9.6130 -9.6130 -4.4986 -4.4986 -4.2074 -4.2074 -4.0153 -4.0153 -1.2515 -1.2515 -0.8772 -0.8772 -0.8448 -0.8448 0.0845 0.0845 0.6088 0.6088 1.3343 1.3343 1.3769 1.3769 2.2831 2.2831 2.6371 2.6371 3.0242 3.0242 3.2161 3.2161 3.6163 3.6163 3.6327 3.6327 3.8416 3.8416 3.9296 3.9296 7.1709 7.1709 9.2129 9.2129 10.0616 10.0616 10.4925 10.4925 12.1740 12.1740 k = 0.0091 0.0147-0.0000 ( 5049 PWs) bands (ev): -13.7633 -13.7633 -13.1257 -13.1257 -11.4268 -11.4266 -10.0148 -9.9992 -9.8819 -9.8646 -9.6131 -9.6121 -4.4980 -4.4975 -4.2262 -4.2216 -3.9992 -3.9927 -1.2622 -1.2461 -0.8816 -0.8724 -0.8457 -0.8452 0.0867 0.0911 0.6092 0.6097 1.3309 1.3329 1.3741 1.3749 2.2832 2.2832 2.6349 2.6361 3.0253 3.0261 3.2153 3.2155 3.6111 3.6145 3.6289 3.6290 3.8414 3.8415 3.9320 3.9341 7.1751 7.1751 9.2148 9.2161 10.0624 10.0625 10.4934 10.4936 12.1467 12.1645 k = 0.0182 0.0294-0.0000 ( 5041 PWs) bands (ev): -13.7619 -13.7619 -13.1258 -13.1258 -11.4254 -11.4251 -10.0679 -10.0507 -9.8363 -9.8157 -9.6125 -9.6105 -4.4957 -4.4948 -4.2646 -4.2584 -3.9550 -3.9450 -1.2776 -1.2464 -0.8846 -0.8695 -0.8484 -0.8450 0.0976 0.1062 0.6111 0.6121 1.3228 1.3268 1.3666 1.3682 2.2836 2.2837 2.6296 2.6320 3.0292 3.0307 3.2132 3.2136 3.5935 3.6009 3.6237 3.6245 3.8411 3.8414 3.9405 3.9443 7.1875 7.1877 9.2218 9.2242 10.0648 10.0650 10.4965 10.4969 12.1110 12.1270 k = 0.0273 0.0442-0.0000 ( 5031 PWs) bands (ev): -13.7596 -13.7595 -13.1259 -13.1259 -11.4231 -11.4225 -10.1248 -10.1080 -9.7885 -9.7664 -9.6112 -9.6081 -4.4919 -4.4905 -4.3091 -4.3030 -3.8976 -3.8856 -1.2973 -1.2528 -0.8856 -0.8716 -0.8526 -0.8410 0.1168 0.1294 0.6143 0.6158 1.3100 1.3159 1.3544 1.3567 2.2841 2.2843 2.6217 2.6253 3.0349 3.0374 3.2099 3.2106 3.5638 3.5737 3.6213 3.6220 3.8406 3.8410 3.9529 3.9579 7.2081 7.2083 9.2336 9.2373 10.0688 10.0690 10.5017 10.5022 12.0713 12.0814 k = 0.0363 0.0589-0.0000 ( 5027 PWs) bands (ev): -13.7564 -13.7563 -13.1261 -13.1260 -11.4197 -11.4190 -10.1838 -10.1676 -9.7417 -9.7185 -9.6092 -9.6051 -4.4864 -4.4846 -4.3544 -4.3487 -3.8334 -3.8200 -1.3209 -1.2652 -0.8853 -0.8792 -0.8570 -0.8323 0.1434 0.1599 0.6189 0.6208 1.2925 1.3003 1.3376 1.3406 2.2847 2.2850 2.6119 2.6166 3.0410 3.0447 3.2059 3.2070 3.5264 3.5383 3.6194 3.6199 3.8400 3.8405 3.9671 3.9727 7.2365 7.2367 9.2502 9.2551 10.0743 10.0747 10.5088 10.5095 12.0229 12.0285 k = 0.0454 0.0736-0.0000 ( 5031 PWs) bands (ev): -13.7523 -13.7522 -13.1263 -13.1263 -11.4154 -11.4145 -10.2441 -10.2286 -9.6970 -9.6727 -9.6063 -9.6013 -4.4793 -4.4771 -4.3983 -4.3934 -3.7648 -3.7503 -1.3477 -1.2833 -0.8907 -0.8874 -0.8573 -0.8203 0.1768 0.1968 0.6248 0.6272 1.2704 1.2799 1.3163 1.3200 2.2852 2.2856 2.6006 2.6064 3.0454 3.0507 3.2018 3.2035 3.4845 3.4982 3.6174 3.6177 3.8392 3.8399 3.9814 3.9873 7.2723 7.2725 9.2713 9.2774 10.0815 10.0819 10.5178 10.5186 11.9527 11.9811 k = 0.0545 0.0883-0.0000 ( 5031 PWs) bands (ev): -13.7474 -13.7472 -13.1266 -13.1265 -11.4101 -11.4090 -10.3055 -10.2907 -9.6547 -9.6293 -9.6026 -9.5968 -4.4706 -4.4683 -4.4397 -4.4359 -3.6932 -3.6776 -1.3772 -1.3064 -0.9053 -0.8958 -0.8495 -0.8053 0.2159 0.2393 0.6320 0.6350 1.2436 1.2548 1.2906 1.2952 2.2854 2.2859 2.5886 2.5956 3.0456 3.0527 3.1989 3.2015 3.4407 3.4561 3.6150 3.6152 3.8383 3.8391 3.9948 4.0008 7.3150 7.3153 9.2966 9.3037 10.0901 10.0905 10.5284 10.5295 11.8814 11.9188 k = 0.0636 0.1030-0.0000 ( 5023 PWs) bands (ev): -13.7415 -13.7413 -13.1270 -13.1269 -11.4038 -11.4025 -10.3677 -10.3536 -9.6164 -9.5968 -9.5926 -9.5874 -4.4800 -4.4758 -4.4602 -4.4563 -3.6189 -3.6024 -1.4089 -1.3336 -0.9226 -0.9093 -0.8347 -0.7874 0.2600 0.2864 0.6405 0.6440 1.2120 1.2250 1.2607 1.2664 2.2851 2.2857 2.5765 2.5845 3.0386 3.0476 3.1988 3.2023 3.3971 3.4140 3.6125 3.6125 3.8374 3.8382 4.0070 4.0129 7.3642 7.3643 9.3257 9.3338 10.1002 10.1006 10.5406 10.5418 11.8128 11.8507 k = 0.0727 0.1177-0.0000 ( 5018 PWs) bands (ev): -13.7348 -13.7346 -13.1274 -13.1272 -11.3965 -11.3950 -10.4304 -10.4171 -9.5968 -9.5861 -9.5742 -9.5500 -4.5158 -4.5127 -4.4483 -4.4444 -3.5426 -3.5251 -1.4420 -1.3639 -0.9425 -0.9262 -0.8149 -0.7665 0.3082 0.3373 0.6502 0.6543 1.1755 1.1905 1.2269 1.2339 2.2841 2.2847 2.5647 2.5736 3.0225 3.0328 3.2026 3.2068 3.3559 3.3739 3.6095 3.6096 3.8363 3.8373 4.0177 4.0234 7.4190 7.4191 9.3582 9.3673 10.1117 10.1120 10.5539 10.5553 11.7484 11.7861 k = 0.0818 0.1325-0.0000 ( 5020 PWs) bands (ev): -13.7273 -13.7271 -13.1278 -13.1277 -11.3881 -11.3864 -10.4936 -10.4809 -9.5903 -9.5797 -9.5409 -9.5147 -4.5488 -4.5466 -4.4349 -4.4307 -3.4644 -3.4461 -1.4761 -1.3962 -0.9648 -0.9458 -0.7907 -0.7425 0.3598 0.3914 0.6611 0.6658 1.1342 1.1512 1.1895 1.1982 2.2821 2.2826 2.5536 2.5632 2.9966 3.0076 3.2101 3.2146 3.3185 3.3372 3.6064 3.6065 3.8352 3.8363 4.0269 4.0325 7.4791 7.4791 9.3937 9.4037 10.1246 10.1248 10.5681 10.5697 11.6887 11.7263 k = 0.0909 0.1472-0.0000 ( 5024 PWs) bands (ev): -13.7190 -13.7187 -13.1283 -13.1282 -11.3787 -11.3769 -10.5571 -10.5451 -9.5840 -9.5727 -9.5095 -9.4824 -4.5789 -4.5774 -4.4200 -4.4154 -3.3847 -3.3656 -1.5105 -1.4298 -0.9894 -0.9678 -0.7628 -0.7155 0.4141 0.4479 0.6732 0.6784 1.0879 1.1071 1.1488 1.1594 2.2788 2.2792 2.5436 2.5537 2.9619 2.9728 3.2200 3.2247 3.2858 3.3046 3.6030 3.6033 3.8342 3.8353 4.0349 4.0402 7.5436 7.5438 9.4318 9.4427 10.1387 10.1387 10.5829 10.5847 11.6343 11.6719 k = 0.1000 0.1619-0.0000 ( 5038 PWs) bands (ev): -13.7100 -13.7096 -13.1289 -13.1287 -11.3683 -11.3662 -10.6207 -10.6093 -9.5774 -9.5651 -9.4810 -9.4532 -4.6060 -4.6050 -4.4036 -4.3986 -3.3037 -3.2837 -1.5448 -1.4638 -1.0163 -0.9922 -0.7313 -0.6854 0.4705 0.5062 0.6863 0.6922 1.0367 1.0580 1.1053 1.1180 2.2741 2.2743 2.5347 2.5452 2.9199 2.9302 3.2305 3.2357 3.2581 3.2761 3.5996 3.6000 3.8332 3.8344 4.0417 4.0468 7.6120 7.6124 9.4721 9.4837 10.1537 10.1539 10.5977 10.5997 11.5854 11.6233 k = 0.1090 0.1766-0.0000 ( 5036 PWs) bands (ev): -13.7002 -13.6998 -13.1294 -13.1293 -11.3568 -11.3545 -10.6843 -10.6735 -9.5703 -9.5571 -9.4554 -9.4270 -4.6300 -4.6297 -4.3857 -4.3803 -3.2215 -3.2009 -1.5783 -1.4976 -1.0453 -1.0187 -0.6964 -0.6523 0.5285 0.5659 0.7006 0.7069 0.9808 1.0039 1.0594 1.0742 2.2675 2.2678 2.5271 2.5377 2.8727 2.8821 3.2294 3.2440 3.2463 3.2542 3.5961 3.5966 3.8323 3.8336 4.0475 4.0523 7.6837 7.6844 9.5141 9.5264 10.1697 10.1702 10.6119 10.6143 11.5422 11.5806 k = 0.1181 0.1913-0.0000 ( 5032 PWs) bands (ev): -13.6897 -13.6893 -13.1301 -13.1299 -11.3442 -11.3417 -10.7477 -10.7376 -9.5627 -9.5485 -9.4329 -9.4039 -4.6514 -4.6512 -4.3664 -4.3607 -3.1385 -3.1171 -1.6108 -1.5305 -1.0763 -1.0472 -0.6585 -0.6162 0.5875 0.6261 0.7161 0.7227 0.9204 0.9448 1.0116 1.0283 2.2589 2.2597 2.5208 2.5312 2.8221 2.8305 3.2095 3.2269 3.2558 3.2600 3.5927 3.5932 3.8316 3.8329 4.0524 4.0570 7.7583 7.7592 9.5576 9.5704 10.1867 10.1875 10.6250 10.6276 11.5047 11.5440 k = 0.1272 0.2061-0.0000 ( 5028 PWs) bands (ev): -13.6786 -13.6782 -13.1308 -13.1306 -11.3305 -11.3279 -10.8109 -10.8013 -9.5547 -9.5395 -9.4134 -9.3840 -4.6703 -4.6697 -4.3458 -4.3398 -3.0547 -3.0327 -1.6417 -1.5622 -1.1092 -1.0777 -0.6176 -0.5772 0.6469 0.6851 0.7335 0.7395 0.8561 0.8809 0.9621 0.9806 2.2484 2.2498 2.5158 2.5256 2.7696 2.7770 3.1902 3.2069 3.2660 3.2702 3.5894 3.5900 3.8311 3.8325 4.0565 4.0609 7.8350 7.8363 9.6022 9.6153 10.2044 10.2057 10.6360 10.6391 11.4719 11.5107 k = 0.1363 0.2208-0.0000 ( 5040 PWs) bands (ev): -13.6668 -13.6664 -13.1315 -13.1314 -11.3158 -11.3128 -10.8737 -10.8647 -9.5463 -9.5302 -9.3968 -9.3671 -4.6866 -4.6856 -4.3238 -4.3175 -2.9704 -2.9478 -1.6708 -1.5921 -1.1439 -1.1100 -0.5739 -0.5354 0.7054 0.7314 0.7568 0.7576 0.7951 0.8123 0.9120 0.9313 2.2360 2.2382 2.5116 2.5208 2.7165 2.7230 3.1725 3.1884 3.2753 3.2796 3.5863 3.5869 3.8309 3.8323 4.0597 4.0639 7.9136 7.9152 9.6476 9.6609 10.2230 10.2247 10.6441 10.6477 11.4397 11.4601 k = 0.1454 0.2355-0.0000 ( 5040 PWs) bands (ev): -13.6545 -13.6541 -13.1323 -13.1322 -11.2999 -11.2967 -10.9360 -10.9275 -9.5375 -9.5205 -9.3833 -9.3533 -4.7005 -4.6992 -4.3006 -4.2940 -2.8858 -2.8626 -1.6976 -1.6199 -1.1803 -1.1439 -0.5276 -0.4909 0.7036 0.7371 0.7587 0.7617 0.7801 0.8225 0.8645 0.8815 2.2219 2.2249 2.5080 2.5161 2.6641 2.6696 3.1560 3.1712 3.2834 3.2878 3.5835 3.5842 3.8311 3.8324 4.0622 4.0662 7.9934 7.9954 9.6935 9.7069 10.2422 10.2445 10.6481 10.6525 11.3992 11.4053 k = 0.1545 0.2502-0.0000 ( 5044 PWs) bands (ev): -13.6417 -13.6412 -13.1332 -13.1330 -11.2828 -11.2794 -10.9978 -10.9898 -9.5285 -9.5105 -9.3726 -9.3425 -4.7121 -4.7105 -4.2762 -4.2693 -2.8010 -2.7773 -1.7219 -1.6453 -1.2181 -1.1794 -0.4787 -0.4439 0.6281 0.6606 0.7765 0.7772 0.7985 0.8302 0.8530 0.8836 2.2061 2.2099 2.5044 2.5108 2.6138 2.6178 3.1407 3.1552 3.2902 3.2948 3.5811 3.5817 3.8317 3.8330 4.0637 4.0676 8.0740 8.0766 9.7398 9.7532 10.2621 10.2649 10.6468 10.6521 11.3521 11.3521 k = 0.1636 0.2649-0.0000 ( 5032 PWs) bands (ev): -13.6284 -13.6279 -13.1341 -13.1339 -11.2646 -11.2610 -11.0588 -11.0513 -9.5193 -9.5003 -9.3646 -9.3345 -4.7218 -4.7200 -4.2507 -4.2436 -2.7163 -2.6921 -1.7433 -1.6679 -1.2571 -1.2161 -0.4276 -0.3945 0.5465 0.5788 0.7384 0.7675 0.8061 0.8120 0.9030 0.9444 2.1889 2.1935 2.4994 2.5021 2.5686 2.5693 3.1266 3.1403 3.2956 3.3005 3.5791 3.5798 3.8329 3.8341 4.0642 4.0680 8.1551 8.1582 9.7864 9.7996 10.2828 10.2861 10.6389 10.6453 11.3019 11.3054 k = 0.1726 0.2796-0.0000 ( 5040 PWs) bands (ev): -13.6147 -13.6142 -13.1350 -13.1348 -11.2452 -11.2413 -11.1190 -11.1120 -9.5099 -9.4900 -9.3594 -9.3292 -4.7298 -4.7278 -4.2241 -4.2168 -2.6319 -2.6072 -1.7616 -1.6876 -1.2973 -1.2540 -0.3743 -0.3429 0.4608 0.4930 0.6860 0.7183 0.8206 0.8309 0.9616 1.0058 2.1702 2.1756 2.4820 2.4869 2.5303 2.5367 3.1134 3.1265 3.2996 3.3048 3.5777 3.5783 3.8347 3.8358 4.0636 4.0673 8.2363 8.2399 9.8332 9.8460 10.3041 10.3079 10.6231 10.6308 11.2560 11.2624 k = 0.1817 0.2944-0.0000 ( 5034 PWs) bands (ev): -13.6007 -13.6001 -13.1360 -13.1358 -11.2248 -11.2205 -11.1783 -11.1718 -9.5004 -9.4797 -9.3566 -9.3265 -4.7363 -4.7342 -4.1965 -4.1891 -2.5478 -2.5227 -1.7767 -1.7040 -1.3383 -1.2928 -0.3190 -0.2894 0.3716 0.4036 0.6315 0.6652 0.8386 0.8504 1.0212 1.0670 2.1502 2.1564 2.4464 2.4554 2.5125 2.5224 3.1014 3.1137 3.3023 3.3078 3.5769 3.5774 3.8371 3.8382 4.0617 4.0655 8.3172 8.3215 9.8801 9.8925 10.3262 10.3305 10.5985 10.6076 11.2156 11.2249 k = 0.1908 0.3091-0.0000 ( 5042 PWs) bands (ev): -13.5863 -13.5857 -13.1370 -13.1368 -11.2373 -11.2308 -11.2024 -11.1983 -9.4909 -9.4693 -9.3562 -9.3263 -4.7416 -4.7395 -4.1681 -4.1605 -2.4644 -2.4389 -1.7883 -1.7170 -1.3800 -1.3323 -0.2621 -0.2341 0.2792 0.3108 0.5764 0.6115 0.8573 0.8700 1.0807 1.1276 2.1288 2.1357 2.4057 2.4151 2.5058 2.5154 3.0905 3.1021 3.3036 3.3096 3.5768 3.5772 3.8404 3.8413 4.0584 4.0622 8.3975 8.4025 9.9271 9.9390 10.3491 10.3537 10.5648 10.5752 11.1813 11.1936 k = 0.1999 0.3238-0.0000 ( 5042 PWs) bands (ev): -13.5716 -13.5711 -13.1380 -13.1379 -11.2945 -11.2885 -11.1796 -11.1750 -9.4816 -9.4591 -9.3580 -9.3284 -4.7460 -4.7438 -4.1388 -4.1312 -2.3817 -2.3559 -1.7962 -1.7264 -1.4219 -1.3721 -0.2038 -0.1775 0.1840 0.2151 0.5211 0.5577 0.8762 0.8898 1.1398 1.1875 2.1058 2.1135 2.3658 2.3753 2.5012 2.5102 3.0808 3.0917 3.3037 3.3100 3.5775 3.5778 3.8445 3.8453 4.0536 4.0574 8.4770 8.4827 9.9744 9.9855 10.3730 10.3776 10.5225 10.5337 11.1533 11.1684 k = 0.2090 0.3385-0.0000 ( 5034 PWs) bands (ev): -13.5568 -13.5562 -13.1391 -13.1390 -11.3508 -11.3452 -11.1554 -11.1504 -9.4723 -9.4491 -9.3618 -9.3325 -4.7497 -4.7475 -4.1089 -4.1012 -2.3001 -2.2738 -1.8002 -1.7321 -1.4639 -1.4121 -0.1445 -0.1202 0.0867 0.1167 0.4659 0.5039 0.8951 0.9095 1.1982 1.2467 2.0812 2.0896 2.3284 2.3381 2.4967 2.5051 3.0724 3.0825 3.3024 3.3093 3.5791 3.5792 3.8496 3.8503 4.0471 4.0511 8.5555 8.5619 10.0217 10.0322 10.3977 10.4012 10.4734 10.4841 11.1311 11.1489 k = 0.2181 0.3532-0.0000 ( 5038 PWs) bands (ev): -13.5418 -13.5412 -13.1402 -13.1401 -11.4060 -11.4008 -11.1299 -11.1246 -9.4634 -9.4393 -9.3675 -9.3386 -4.7529 -4.7508 -4.0784 -4.0707 -2.2196 -2.1929 -1.8004 -1.7340 -1.5055 -1.4518 -0.0848 -0.0662 -0.0088 0.0163 0.4111 0.4503 0.9142 0.9293 1.2559 1.3049 2.0548 2.0636 2.2944 2.3043 2.4916 2.4997 3.0653 3.0747 3.3000 3.3073 3.5815 3.5817 3.8557 3.8563 4.0389 4.0430 8.6326 8.6399 10.0693 10.0788 10.4037 10.4189 10.4321 10.4398 11.1138 11.1341 k = 0.2272 0.3680-0.0000 ( 5038 PWs) bands (ev): -13.5268 -13.5262 -13.1413 -13.1412 -11.4599 -11.4550 -11.1031 -11.0975 -9.4549 -9.4300 -9.3749 -9.3465 -4.7560 -4.7538 -4.0474 -4.0397 -2.1405 -2.1133 -1.7965 -1.7320 -1.5465 -1.4910 -0.1202 -0.0884 -0.0226 0.0020 0.3567 0.3972 0.9333 0.9490 1.3127 1.3622 2.0263 2.0355 2.2644 2.2745 2.4858 2.4936 3.0594 3.0681 3.2965 3.3043 3.5848 3.5852 3.8629 3.8634 4.0288 4.0330 8.7083 8.7164 10.1169 10.1256 10.3472 10.3635 10.4523 10.4611 11.1006 11.1231 k = 0.2362 0.3827-0.0000 ( 5034 PWs) bands (ev): -13.5117 -13.5111 -13.1424 -13.1423 -11.5126 -11.5080 -11.0751 -11.0692 -9.4468 -9.4212 -9.3838 -9.3559 -4.7589 -4.7568 -4.0160 -4.0084 -2.0632 -2.0352 -1.7884 -1.7260 -1.5864 -1.5294 -0.2226 -0.1922 0.0364 0.0594 0.3030 0.3444 0.9526 0.9688 1.3686 1.4185 1.9958 2.0053 2.2386 2.2488 2.4791 2.4866 3.0550 3.0628 3.2919 3.3001 3.5891 3.5898 3.8714 3.8717 4.0169 4.0213 8.7824 8.7913 10.1645 10.1721 10.2811 10.2966 10.4809 10.4893 11.0907 11.1151 k = 0.2453 0.3974-0.0000 ( 5034 PWs) bands (ev): -13.4967 -13.4960 -13.1435 -13.1435 -11.5639 -11.5596 -11.0458 -11.0395 -9.4393 -9.4131 -9.3940 -9.3667 -4.7620 -4.7599 -3.9844 -3.9769 -1.9879 -1.9588 -1.7760 -1.7160 -1.6247 -1.5664 -0.3274 -0.2980 0.0947 0.1169 0.2504 0.2922 0.9723 0.9889 1.4236 1.4737 1.9635 1.9729 2.2170 2.2272 2.4714 2.4788 3.0518 3.0589 3.2862 3.2949 3.5945 3.5955 3.8810 3.8812 4.0031 4.0076 8.8547 8.8644 10.2076 10.2118 10.2220 10.2262 10.5113 10.5196 11.0834 11.1095 k = 0.2544 0.4121-0.0000 ( 5018 PWs) bands (ev): -13.4817 -13.4810 -13.1446 -13.1446 -11.6138 -11.6098 -11.0152 -11.0086 -9.4325 -9.4057 -9.4054 -9.3787 -4.7654 -4.7632 -3.9527 -3.9453 -1.9155 -1.8843 -1.7590 -1.7020 -1.6608 -1.6018 -0.4334 -0.4050 0.1469 0.1728 0.2029 0.2409 0.9927 1.0096 1.4774 1.5277 1.9296 1.9389 2.1993 2.2095 2.4628 2.4700 3.0500 3.0563 3.2795 3.2887 3.6011 3.6024 3.8920 3.8921 3.9873 3.9920 8.9252 8.9358 10.1380 10.1533 10.2586 10.2651 10.5436 10.5518 11.0783 11.1056 k = 0.2635 0.4268-0.0000 ( 5022 PWs) bands (ev): -13.4669 -13.4662 -13.1458 -13.1457 -11.6623 -11.6586 -10.9834 -10.9764 -9.4266 -9.4177 -9.3991 -9.3917 -4.7691 -4.7670 -3.9209 -3.9138 -1.8477 -1.8122 -1.7369 -1.6933 -1.6837 -1.6352 -0.5403 -0.5128 0.1364 0.1870 0.2164 0.2293 1.0143 1.0312 1.5302 1.5806 1.8946 1.9037 2.1853 2.1955 2.4533 2.4603 3.0493 3.0550 3.2718 3.2814 3.6088 3.6104 3.9042 3.9043 3.9698 3.9746 8.9938 9.0052 10.0642 10.0789 10.3045 10.3100 10.5779 10.5861 11.0751 11.1026 k = 0.2726 0.4415-0.0000 ( 5018 PWs) bands (ev): -13.4523 -13.4516 -13.1468 -13.1468 -11.7093 -11.7058 -10.9503 -10.9430 -9.4309 -9.4215 -9.4056 -9.3936 -4.7732 -4.7711 -3.8893 -3.8824 -1.7909 -1.7432 -1.7241 -1.7012 -1.6662 -1.6606 -0.6477 -0.6210 0.0872 0.1370 0.2657 0.2792 1.0374 1.0543 1.5818 1.6322 1.8589 1.8675 2.1747 2.1847 2.4428 2.4498 3.0499 3.0549 3.2632 3.2733 3.6178 3.6197 3.9177 3.9178 3.9504 3.9554 9.0604 9.0726 9.9894 10.0035 10.3488 10.3537 10.6147 10.6225 11.0735 11.0966 k = 0.2817 0.4563-0.0000 ( 5018 PWs) bands (ev): -13.4380 -13.4373 -13.1479 -13.1479 -11.7547 -11.7515 -10.9161 -10.9083 -9.4447 -9.4202 -9.4175 -9.3892 -4.7778 -4.7757 -3.8579 -3.8512 -1.7747 -1.7159 -1.6957 -1.6786 -1.6595 -1.6303 -0.7552 -0.7295 0.0361 0.0865 0.3131 0.3256 1.0628 1.0794 1.6320 1.6824 1.8228 1.8310 2.1670 2.1770 2.4315 2.4384 3.0516 3.0560 3.2537 3.2642 3.6280 3.6303 3.9289 3.9323 3.9329 3.9348 9.1249 9.1380 9.9141 9.9277 10.3911 10.3955 10.6540 10.6614 11.0471 11.0543 k = 0.2908 0.4710-0.0000 ( 5020 PWs) bands (ev): -13.4240 -13.4232 -13.1490 -13.1489 -11.7986 -11.7956 -10.8806 -10.8725 -9.4590 -9.4353 -9.4148 -9.3860 -4.7829 -4.7808 -3.8268 -3.8204 -1.7936 -1.7201 -1.6813 -1.6291 -1.6045 -1.5857 -0.8626 -0.8378 -0.0152 0.0361 0.3557 0.3669 1.0911 1.1071 1.6806 1.7310 1.7871 1.7947 2.1621 2.1721 2.4196 2.4263 3.0543 3.0581 3.2434 3.2542 3.6396 3.6421 3.9066 3.9119 3.9485 3.9486 9.1874 9.2013 9.8390 9.8519 10.4310 10.4350 10.6959 10.7025 10.9542 10.9690 k = 0.2999 0.4857-0.0000 ( 5028 PWs) bands (ev): -13.4103 -13.4095 -13.1500 -13.1499 -11.8408 -11.8381 -10.8440 -10.8354 -9.4736 -9.4508 -9.4133 -9.3841 -4.7884 -4.7863 -3.7961 -3.7900 -1.8147 -1.7420 -1.6448 -1.5906 -1.5450 -1.5285 -0.9695 -0.9458 -0.0663 -0.0140 0.3923 0.4020 1.1228 1.1381 1.7240 1.7554 1.7555 1.7811 2.1597 2.1696 2.4070 2.4136 3.0579 3.0613 3.2322 3.2434 3.6526 3.6553 3.8824 3.8879 3.9655 3.9658 9.2478 9.2624 9.7643 9.7766 10.4679 10.4718 10.7405 10.7452 10.8641 10.8813 k = 0.3089 0.5004-0.0000 ( 5032 PWs) bands (ev): -13.3970 -13.3963 -13.1509 -13.1508 -11.8815 -11.8789 -10.8062 -10.7972 -9.4884 -9.4665 -9.4133 -9.3838 -4.7945 -4.7924 -3.7658 -3.7600 -1.8332 -1.7603 -1.6067 -1.5537 -1.4852 -1.4688 -1.0756 -1.0530 -0.1175 -0.0641 0.4221 0.4302 1.1583 1.1727 1.7114 1.7209 1.7787 1.8256 2.1596 2.1696 2.3940 2.4005 3.0623 3.0653 3.2203 3.2318 3.6669 3.6699 3.8569 3.8626 3.9835 3.9840 9.3060 9.3212 9.6904 9.7020 10.5016 10.5057 10.7728 10.7735 10.7919 10.8123 k = 0.3180 0.5151-0.0000 ( 5042 PWs) bands (ev): -13.3842 -13.3835 -13.1518 -13.1517 -11.9204 -11.9180 -10.7674 -10.7579 -9.5034 -9.4823 -9.4148 -9.3851 -4.8009 -4.7988 -3.7360 -3.7305 -1.8483 -1.7751 -1.5667 -1.5155 -1.4268 -1.4103 -1.1803 -1.1591 -0.1685 -0.1142 0.4444 0.4510 1.1976 1.2112 1.6777 1.6856 1.8223 1.8697 2.1617 2.1717 2.3806 2.3869 3.0675 3.0702 3.2076 3.2193 3.6827 3.6858 3.8303 3.8360 4.0023 4.0030 9.3620 9.3778 9.6177 9.6285 10.5317 10.5363 10.6931 10.7046 10.8379 10.8456 k = 0.3271 0.5299-0.0000 ( 5042 PWs) bands (ev): -13.3719 -13.3712 -13.1526 -13.1524 -11.9576 -11.9554 -10.7275 -10.7175 -9.5183 -9.4982 -9.4179 -9.3880 -4.8077 -4.8056 -3.7065 -3.7014 -1.8597 -1.7862 -1.5250 -1.4750 -1.3713 -1.3537 -1.2821 -1.2636 -0.2197 -0.1643 0.4592 0.4645 1.2406 1.2532 1.6440 1.6510 1.8651 1.9121 2.1658 2.1759 2.3670 2.3732 3.0733 3.0757 3.1943 3.2061 3.7000 3.7031 3.8027 3.8086 4.0217 4.0228 9.4156 9.4320 9.5464 9.5565 10.5545 10.5613 10.6180 10.6280 10.8887 10.8943 k = 0.3362 0.5446-0.0000 ( 5034 PWs) bands (ev): -13.3602 -13.3594 -13.1533 -13.1531 -11.9930 -11.9910 -10.6866 -10.6762 -9.5330 -9.5138 -9.4228 -9.3928 -4.8148 -4.8127 -3.6775 -3.6727 -1.8678 -1.7942 -1.4833 -1.4325 -1.3850 -1.3658 -1.3124 -1.2994 -0.2710 -0.2146 0.4667 0.4707 1.2867 1.2984 1.6112 1.6175 1.9064 1.9527 2.1718 2.1820 2.3533 2.3594 3.0795 3.0820 3.1804 3.1921 3.7186 3.7217 3.7744 3.7803 4.0416 4.0430 9.4654 9.4784 9.4835 9.4863 10.5252 10.5383 10.5959 10.5995 10.9405 10.9448 k = 0.3453 0.5593-0.0000 ( 5022 PWs) bands (ev): -13.3490 -13.3482 -13.1539 -13.1537 -12.0267 -12.0248 -10.6448 -10.6339 -9.5475 -9.5293 -9.4295 -9.3995 -4.8221 -4.8200 -3.6486 -3.6442 -1.8732 -1.8002 -1.4947 -1.4640 -1.4237 -1.3879 -1.2619 -1.2479 -0.3224 -0.2652 0.4672 0.4703 1.3351 1.3459 1.5798 1.5852 1.9458 1.9913 2.1795 2.1899 2.3397 2.3456 3.0861 3.0887 3.1660 3.1775 3.7384 3.7415 3.7459 3.7517 4.0616 4.0634 9.4087 9.4176 9.5164 9.5331 10.4564 10.4684 10.6146 10.6190 10.9926 10.9961 k = 0.3453 0.5593-0.0000 ( 5022 PWs) bands (ev): -13.3490 -13.3482 -13.1539 -13.1537 -12.0267 -12.0248 -10.6448 -10.6339 -9.5475 -9.5293 -9.4295 -9.3995 -4.8221 -4.8200 -3.6486 -3.6442 -1.8732 -1.8002 -1.4947 -1.4640 -1.4237 -1.3879 -1.2619 -1.2479 -0.3224 -0.2652 0.4672 0.4703 1.3351 1.3459 1.5798 1.5852 1.9458 1.9913 2.1795 2.1899 2.3397 2.3456 3.0861 3.0887 3.1660 3.1775 3.7384 3.7415 3.7459 3.7517 4.0616 4.0634 9.4087 9.4176 9.5164 9.5331 10.4564 10.4684 10.6146 10.6190 10.9926 10.9961 k = 0.3280 0.5593-0.0000 ( 5031 PWs) bands (ev): -13.3550 -13.3543 -13.1540 -13.1538 -12.0080 -12.0060 -10.6673 -10.6566 -9.5399 -9.5212 -9.4256 -9.3957 -4.8178 -4.8157 -3.6653 -3.6607 -1.8712 -1.7980 -1.4842 -1.4490 -1.4116 -1.3936 -1.2770 -1.2618 -0.2940 -0.2372 0.4672 0.4708 1.3080 1.3193 1.5959 1.6019 1.9245 1.9701 2.1771 2.1877 2.3471 2.3531 3.0825 3.0851 3.1738 3.1854 3.7258 3.7284 3.7632 3.7687 4.0510 4.0526 9.4360 9.4440 9.4987 9.5137 10.4909 10.5056 10.6031 10.6133 10.9662 10.9698 k = 0.3108 0.5593-0.0000 ( 5029 PWs) bands (ev): -13.3616 -13.3608 -13.1550 -13.1548 -11.9864 -11.9843 -10.6906 -10.6802 -9.5321 -9.5129 -9.4220 -9.3921 -4.8126 -4.8105 -3.6852 -3.6805 -1.8703 -1.7977 -1.5096 -1.4764 -1.4010 -1.3840 -1.2565 -1.2374 -0.2629 -0.2066 0.4646 0.4688 1.2785 1.2903 1.6116 1.6176 1.9022 1.9471 2.1787 2.1899 2.3552 2.3612 3.0789 3.0816 3.1817 3.1930 3.7127 3.7156 3.7803 3.7857 4.0406 4.0419 9.4341 9.4396 9.5107 9.5184 10.5151 10.5423 10.5933 10.6208 10.9424 10.9457 k = 0.2935 0.5593-0.0000 ( 5027 PWs) bands (ev): -13.3685 -13.3677 -13.1568 -13.1566 -11.9621 -11.9599 -10.7146 -10.7045 -9.5242 -9.5046 -9.4187 -9.3889 -4.8063 -4.8043 -3.7081 -3.7033 -1.8708 -1.7995 -1.5411 -1.5112 -1.4122 -1.3887 -1.2052 -1.1842 -0.2295 -0.1737 0.4599 0.4647 1.2468 1.2589 1.6250 1.6302 1.8814 1.9244 2.1838 2.1958 2.3637 2.3696 3.0751 3.0780 3.1890 3.1998 3.7007 3.7038 3.7960 3.8013 4.0310 4.0321 9.4108 9.4187 9.5365 9.5418 10.5244 10.5631 10.6015 10.6436 10.9219 10.9249 k = 0.2762 0.5593-0.0000 ( 5032 PWs) bands (ev): -13.3756 -13.3748 -13.1593 -13.1592 -11.9354 -11.9331 -10.7395 -10.7297 -9.5162 -9.4962 -9.4156 -9.3860 -4.7991 -4.7970 -3.7337 -3.7289 -1.8729 -1.8040 -1.5748 -1.5482 -1.4245 -1.3966 -1.1433 -1.1220 -0.1942 -0.1389 0.4533 0.4589 1.2129 1.2253 1.6339 1.6364 1.8656 1.9051 2.1917 2.2045 2.3723 2.3782 3.0710 3.0743 3.1952 3.2053 3.6900 3.6936 3.8091 3.8143 4.0230 4.0239 9.3849 9.3937 9.5624 9.5673 10.5242 10.5587 10.6353 10.6754 10.9060 10.9084 k = 0.2590 0.5593-0.0000 ( 5037 PWs) bands (ev): -13.3828 -13.3821 -13.1624 -13.1623 -11.9065 -11.9041 -10.7652 -10.7557 -9.5082 -9.4879 -9.4128 -9.3833 -4.7907 -4.7887 -3.7618 -3.7570 -1.8769 -1.8112 -1.6100 -1.5862 -1.4311 -1.4009 -1.0790 -1.0582 -0.1571 -0.1023 0.4455 0.4519 1.1771 1.1896 1.6326 1.6351 1.8587 1.8923 2.2019 2.2154 2.3810 2.3868 3.0664 3.0701 3.2001 3.2094 3.6812 3.6851 3.8188 3.8237 4.0179 4.0185 9.3597 9.3688 9.5857 9.5904 10.5209 10.5509 10.6710 10.7078 10.8969 10.8982 k = 0.2417 0.5593-0.0000 ( 5039 PWs) bands (ev): -13.3900 -13.3893 -13.1660 -13.1658 -11.8757 -11.8732 -10.7917 -10.7825 -9.5003 -9.4795 -9.4103 -9.3810 -4.7812 -4.7792 -3.7920 -3.7874 -1.8826 -1.8208 -1.6456 -1.6241 -1.4309 -1.4002 -1.0154 -0.9952 -0.1185 -0.0643 0.4369 0.4443 1.1395 1.1522 1.6174 1.6261 1.8624 1.8889 2.2140 2.2281 2.3896 2.3954 3.0611 3.0653 3.2035 3.2118 3.6744 3.6787 3.8240 3.8286 4.0163 4.0167 9.3363 9.3453 9.6056 9.6101 10.5174 10.5441 10.7013 10.7343 10.8969 10.8980 k = 0.2244 0.5593-0.0000 ( 5035 PWs) bands (ev): -13.3970 -13.3964 -13.1699 -13.1697 -11.8433 -11.8407 -10.8190 -10.8101 -9.4924 -9.4713 -9.4080 -9.3790 -4.7705 -4.7685 -3.8240 -3.8196 -1.8899 -1.8323 -1.6809 -1.6611 -1.4247 -1.3946 -0.9535 -0.9343 -0.0787 -0.0251 0.4282 0.4366 1.1005 1.1132 1.5919 1.6066 1.8757 1.8953 2.2274 2.2420 2.3980 2.4037 3.0548 3.0596 3.2054 3.2127 3.6699 3.6745 3.8243 3.8285 4.0187 4.0192 9.3150 9.3237 9.6220 9.6261 10.5149 10.5389 10.7226 10.7505 10.9070 10.9123 k = 0.2072 0.5593-0.0000 ( 5038 PWs) bands (ev): -13.4039 -13.4033 -13.1740 -13.1738 -11.8096 -11.8068 -10.8471 -10.8384 -9.4846 -9.4633 -9.4060 -9.3773 -4.7587 -4.7567 -3.8574 -3.8533 -1.8983 -1.8450 -1.7151 -1.6966 -1.4136 -1.3849 -0.8943 -0.8762 -0.0379 0.0150 0.4199 0.4295 1.0601 1.0729 1.5591 1.5784 1.8956 1.9098 2.2417 2.2566 2.4061 2.4117 3.0472 3.0526 3.2061 3.2122 3.6676 3.6723 3.8200 3.8236 4.0248 4.0256 9.2959 9.3043 9.6348 9.6387 10.5138 10.5355 10.7343 10.7568 10.9287 10.9387 k = 0.1899 0.5593-0.0000 ( 5037 PWs) bands (ev): -13.4105 -13.4099 -13.1782 -13.1780 -11.7748 -11.7719 -10.8759 -10.8675 -9.4770 -9.4556 -9.4042 -9.3760 -4.7457 -4.7437 -3.8920 -3.8881 -1.9074 -1.8583 -1.7478 -1.7302 -1.3988 -1.3720 -0.8382 -0.8214 0.0036 0.0557 0.4126 0.4234 1.0188 1.0317 1.5217 1.5440 1.9198 1.9300 2.2564 2.2715 2.4138 2.4193 3.0382 3.0441 3.2058 3.2108 3.6672 3.6720 3.8120 3.8151 4.0338 4.0350 9.2791 9.2871 9.6445 9.6479 10.5141 10.5335 10.7391 10.7572 10.9585 10.9724 k = 0.1726 0.5593-0.0000 ( 5043 PWs) bands (ev): -13.4168 -13.4162 -13.1823 -13.1822 -11.7392 -11.7362 -10.9053 -10.8972 -9.4697 -9.4481 -9.4027 -9.3749 -4.7315 -4.7296 -3.9271 -3.9236 -1.9168 -1.8716 -1.7785 -1.7615 -1.3814 -1.3566 -0.7858 -0.7705 0.0455 0.0966 0.4069 0.4192 0.9768 0.9898 1.4816 1.5058 1.9464 1.9536 2.2711 2.2863 2.4210 2.4265 3.0277 3.0340 3.2050 3.2089 3.6685 3.6733 3.8014 3.8041 4.0448 4.0462 9.2646 9.2721 9.6512 9.6543 10.5156 10.5329 10.7405 10.7553 10.9920 11.0086 k = 0.1554 0.5593-0.0000 ( 5035 PWs) bands (ev): -13.4226 -13.4221 -13.1864 -13.1863 -11.7032 -11.7000 -10.9351 -10.9275 -9.4626 -9.4411 -9.4013 -9.3742 -4.7164 -4.7146 -3.9624 -3.9592 -1.9259 -1.8843 -1.8070 -1.7904 -1.3626 -1.3399 -0.7376 -0.7239 0.0873 0.1373 0.4034 0.4172 0.9343 0.9476 1.4401 1.4653 1.9741 1.9792 2.2855 2.3007 2.4277 2.4330 3.0157 3.0224 3.2040 3.2070 3.6711 3.6756 3.7893 3.7917 4.0567 4.0582 9.2523 9.2593 9.6554 9.6582 10.5181 10.5332 10.7410 10.7533 11.0243 11.0434 k = 0.1381 0.5593-0.0000 ( 5036 PWs) bands (ev): -13.4280 -13.4275 -13.1902 -13.1901 -11.6670 -11.6638 -10.9653 -10.9580 -9.4559 -9.4345 -9.4002 -9.3739 -4.7005 -4.6987 -3.9974 -3.9945 -1.9345 -1.8961 -1.8332 -1.8166 -1.3430 -1.3225 -0.6939 -0.6819 0.1289 0.1775 0.4023 0.4179 0.8919 0.9054 1.3983 1.4237 2.0020 2.0055 2.2993 2.3142 2.4338 2.4389 3.0025 3.0093 3.2032 3.2054 3.6744 3.6786 3.7768 3.7788 4.0688 4.0703 9.2421 9.2485 9.6576 9.6600 10.5212 10.5342 10.7417 10.7520 11.0494 11.0705 k = 0.1208 0.5593-0.0000 ( 5030 PWs) bands (ev): -13.4329 -13.4324 -13.1938 -13.1937 -11.6312 -11.6279 -10.9955 -10.9886 -9.4496 -9.4286 -9.3991 -9.3739 -4.6839 -4.6823 -4.0315 -4.0290 -1.9422 -1.9068 -1.8569 -1.8402 -1.3235 -1.3052 -0.6552 -0.6450 0.1696 0.2166 0.4039 0.4216 0.8499 0.8638 1.3574 1.3823 2.0294 2.0317 2.3122 2.3265 2.4392 2.4441 2.9885 2.9953 3.2026 3.2043 3.6780 3.6817 3.7646 3.7663 4.0804 4.0818 9.2338 9.2395 9.6583 9.6603 10.5245 10.5356 10.7431 10.7517 11.0632 11.0825 k = 0.1036 0.5593-0.0000 ( 5034 PWs) bands (ev): -13.4372 -13.4368 -13.1970 -13.1969 -11.5961 -11.5927 -11.0253 -11.0189 -9.4436 -9.4235 -9.3981 -9.3742 -4.6672 -4.6656 -4.0641 -4.0619 -1.9487 -1.9160 -1.8781 -1.8611 -1.3048 -1.2889 -0.6216 -0.6132 0.2092 0.2543 0.4080 0.4280 0.8090 0.8234 1.3181 1.3420 2.0553 2.0569 2.3240 2.3373 2.4439 2.4484 2.9744 2.9809 3.2024 3.2036 3.6813 3.6845 3.7535 3.7548 4.0912 4.0925 9.2272 9.2322 9.6578 9.6595 10.5279 10.5371 10.7453 10.7523 11.0691 11.0846 k = 0.0863 0.5593-0.0000 ( 5036 PWs) bands (ev): -13.4409 -13.4406 -13.1998 -13.1997 -11.5624 -11.5591 -11.0543 -11.0485 -9.4382 -9.4195 -9.3967 -9.3750 -4.6507 -4.6493 -4.0943 -4.0925 -1.9539 -1.9236 -1.8967 -1.8792 -1.2875 -1.2740 -0.5934 -0.5867 0.2472 0.2903 0.4136 0.4364 0.7701 0.7848 1.2819 1.3039 2.0792 2.0804 2.3344 2.3465 2.4479 2.4520 2.9608 2.9668 3.2025 3.2034 3.6839 3.6864 3.7441 3.7451 4.1007 4.1019 9.2221 9.2263 9.6567 9.6581 10.5312 10.5386 10.7480 10.7537 11.0718 11.0839 k = 0.0691 0.5593-0.0000 ( 5039 PWs) bands (ev): -13.4439 -13.4437 -13.2021 -13.2021 -11.5309 -11.5278 -11.0816 -11.0764 -9.4332 -9.4168 -9.3949 -9.3761 -4.6351 -4.6340 -4.1213 -4.1199 -1.9576 -1.9295 -1.9125 -1.8946 -1.2722 -1.2613 -0.5706 -0.5655 0.2834 0.3246 0.4192 0.4455 0.7342 0.7491 1.2498 1.2691 2.1002 2.1013 2.3434 2.3538 2.4511 2.4546 2.9485 2.9537 3.2028 3.2035 3.6853 3.6871 3.7369 3.7376 4.1089 4.1098 9.2183 9.2218 9.6552 9.6563 10.5342 10.5399 10.7510 10.7554 11.0731 11.0823 k = 0.0518 0.5593-0.0000 ( 5037 PWs) bands (ev): -13.4463 -13.4461 -13.2040 -13.2040 -11.5030 -11.5002 -11.1059 -11.1016 -9.4287 -9.4156 -9.3926 -9.3776 -4.6214 -4.6205 -4.1441 -4.1430 -1.9595 -1.9341 -1.9252 -1.9074 -1.2594 -1.2511 -0.5531 -0.5494 0.3172 0.3568 0.4227 0.4528 0.7034 0.7176 1.2234 1.2391 2.1176 2.1186 2.3508 2.3591 2.4537 2.4564 2.9383 2.9424 3.2033 3.2037 3.6855 3.6866 3.7322 3.7327 4.1154 4.1161 9.2157 9.2183 9.6538 9.6546 10.5367 10.5409 10.7539 10.7572 11.0739 11.0806 k = 0.0345 0.5593-0.0000 ( 5037 PWs) bands (ev): -13.4481 -13.4479 -13.2053 -13.2053 -11.4802 -11.4781 -11.1256 -11.1224 -9.4248 -9.4156 -9.3899 -9.3795 -4.6104 -4.6098 -4.1616 -4.1608 -1.9595 -1.9400 -1.9321 -1.9175 -1.2496 -1.2439 -0.5406 -0.5383 0.3482 0.3866 0.4215 0.4552 0.6801 0.6918 1.2041 1.2152 2.1308 2.1316 2.3566 2.3624 2.4555 2.4575 2.9306 2.9335 3.2037 3.2040 3.6848 3.6854 3.7294 3.7299 4.1202 4.1207 9.2141 9.2159 9.6526 9.6531 10.5388 10.5415 10.7564 10.7585 11.0745 11.0789 k = 0.0173 0.5593-0.0000 ( 5031 PWs) bands (ev): -13.4491 -13.4490 -13.2062 -13.2061 -11.4649 -11.4637 -11.1384 -11.1367 -9.4214 -9.4167 -9.3870 -9.3817 -4.6033 -4.6029 -4.1725 -4.1721 -1.9576 -1.9476 -1.9327 -1.9251 -1.2429 -1.2401 -0.5330 -0.5319 0.3754 0.4098 0.4171 0.4499 0.6667 0.6737 1.1931 1.1990 2.1392 2.1396 2.3607 2.3637 2.4568 2.4578 2.9262 2.9277 3.2040 3.2042 3.6840 3.6843 3.7283 3.7285 4.1231 4.1234 9.2134 9.2143 9.6518 9.6521 10.5403 10.5417 10.7582 10.7593 11.0753 11.0774 k = 0.0000 0.5593-0.0000 ( 5032 PWs) bands (ev): -13.4494 -13.4494 -13.2064 -13.2064 -11.4590 -11.4590 -11.1424 -11.1424 -9.4187 -9.4187 -9.3843 -9.3843 -4.6007 -4.6007 -4.1761 -4.1761 -1.9536 -1.9536 -1.9302 -1.9302 -1.2397 -1.2397 -0.5302 -0.5302 0.3973 0.3973 0.4358 0.4358 0.6648 0.6648 1.1914 1.1914 2.1422 2.1422 2.3631 2.3631 2.4576 2.4576 2.9252 2.9252 3.2042 3.2042 3.6838 3.6838 3.7280 3.7280 4.1242 4.1242 9.2134 9.2134 9.6517 9.6517 10.5413 10.5413 10.7592 10.7592 11.0762 11.0762 k = 0.0000 0.5593-0.0000 ( 5032 PWs) bands (ev): -13.4494 -13.4494 -13.2064 -13.2064 -11.4590 -11.4590 -11.1424 -11.1424 -9.4187 -9.4187 -9.3843 -9.3843 -4.6007 -4.6007 -4.1761 -4.1761 -1.9536 -1.9536 -1.9302 -1.9302 -1.2397 -1.2397 -0.5302 -0.5302 0.3973 0.3973 0.4358 0.4358 0.6648 0.6648 1.1914 1.1914 2.1422 2.1422 2.3631 2.3631 2.4576 2.4576 2.9252 2.9252 3.2042 3.2042 3.6838 3.6838 3.7280 3.7280 4.1242 4.1242 9.2134 9.2134 9.6517 9.6517 10.5413 10.5413 10.7592 10.7592 11.0762 11.0762 k = 0.0000 0.5593 0.0173 ( 5036 PWs) bands (ev): -13.4491 -13.4491 -13.2065 -13.2064 -11.4582 -11.4582 -11.1418 -11.1417 -9.4209 -9.4204 -9.3864 -9.3863 -4.5990 -4.5990 -4.1745 -4.1736 -1.9541 -1.9538 -1.9291 -1.9284 -1.2385 -1.2378 -0.5366 -0.5337 0.3976 0.3977 0.4347 0.4363 0.6660 0.6669 1.1925 1.1939 2.1424 2.1432 2.3511 2.3513 2.4676 2.4687 2.9253 2.9257 3.2033 3.2034 3.6839 3.6839 3.7286 3.7289 4.1240 4.1241 9.2102 9.2120 9.6499 9.6502 10.5027 10.5093 10.7927 10.7984 11.0710 11.0710 k = 0.0000 0.5593 0.0346 ( 5036 PWs) bands (ev): -13.4483 -13.4483 -13.2065 -13.2065 -11.4557 -11.4556 -11.1401 -11.1398 -9.4269 -9.4259 -9.3928 -9.3925 -4.5941 -4.5940 -4.1689 -4.1670 -1.9563 -1.9561 -1.9236 -1.9229 -1.2342 -1.2327 -0.5528 -0.5471 0.3975 0.3990 0.4327 0.4371 0.6704 0.6721 1.1971 1.1998 2.1439 2.1456 2.3241 2.3242 2.4902 2.4921 2.9260 2.9268 3.2009 3.2010 3.6842 3.6843 3.7308 3.7313 4.1233 4.1235 9.2025 9.2061 9.6449 9.6453 10.4289 10.4383 10.8672 10.8747 11.0571 11.0573 k = 0.0000 0.5593 0.0519 ( 5032 PWs) bands (ev): -13.4469 -13.4469 -13.2066 -13.2066 -11.4514 -11.4514 -11.1371 -11.1367 -9.4367 -9.4351 -9.4033 -9.4028 -4.5859 -4.5858 -4.1591 -4.1564 -1.9628 -1.9615 -1.9121 -1.9120 -1.2265 -1.2243 -0.5779 -0.5698 0.3956 0.4008 0.4303 0.4393 0.6781 0.6802 1.2049 1.2088 2.1466 2.1491 2.2906 2.2909 2.5166 2.5189 2.9273 2.9286 3.1968 3.1971 3.6846 3.6848 3.7345 3.7353 4.1223 4.1226 9.1907 9.1960 9.6366 9.6370 10.3471 10.3583 10.9511 10.9602 11.0386 11.0401 k = 0.0000 0.5593 0.0692 ( 5022 PWs) bands (ev): -13.4450 -13.4449 -13.2068 -13.2068 -11.4455 -11.4454 -11.1328 -11.1323 -9.4502 -9.4481 -9.4178 -9.4171 -4.5745 -4.5744 -4.1454 -4.1419 -1.9732 -1.9709 -1.8954 -1.8949 -1.2152 -1.2124 -0.6109 -0.6009 0.3912 0.4017 0.4288 0.4432 0.6888 0.6909 1.2155 1.2205 2.1503 2.1536 2.2540 2.2547 2.5435 2.5463 2.9294 2.9310 3.1912 3.1916 3.6847 3.6852 3.7399 3.7410 4.1208 4.1213 9.1754 9.1822 9.6251 9.6251 10.2654 10.2784 11.0040 11.0107 11.0533 11.0541 k = 0.0000 0.5593 0.0865 ( 5020 PWs) bands (ev): -13.4425 -13.4425 -13.2070 -13.2070 -11.4378 -11.4378 -11.1274 -11.1268 -9.4673 -9.4648 -9.4362 -9.4354 -4.5600 -4.5599 -4.1279 -4.1235 -1.9875 -1.9842 -1.8736 -1.8724 -1.2001 -1.1967 -0.6507 -0.6391 0.3846 0.3998 0.4296 0.4483 0.7021 0.7038 1.2283 1.2342 2.1546 2.1588 2.2156 2.2167 2.5700 2.5731 2.9322 2.9340 3.1840 3.1845 3.6846 3.6852 3.7470 3.7484 4.1189 4.1195 9.1573 9.1654 9.6095 9.6101 10.1869 10.2020 10.9875 10.9899 11.1328 11.1378 k = 0.0000 0.5593 0.1038 ( 5022 PWs) bands (ev): -13.4396 -13.4395 -13.2073 -13.2073 -11.4285 -11.4284 -11.1207 -11.1200 -9.4879 -9.4848 -9.4583 -9.4572 -4.5425 -4.5424 -4.1068 -4.1015 -2.0055 -2.0013 -1.8471 -1.8452 -1.1810 -1.1770 -0.6961 -0.6834 0.3766 0.3950 0.4330 0.4540 0.7175 0.7184 1.2426 1.2493 2.1583 2.1625 2.1779 2.1785 2.5956 2.5989 2.9357 2.9378 3.1754 3.1760 3.6839 3.6847 3.7556 3.7572 4.1166 4.1173 9.1371 9.1465 9.5900 9.5917 10.1134 10.1310 10.9651 10.9665 11.2137 11.2194 k = 0.0000 0.5593 0.1211 ( 5020 PWs) bands (ev): -13.4361 -13.4360 -13.2077 -13.2076 -11.4175 -11.4174 -11.1128 -11.1119 -9.5119 -9.5083 -9.4838 -9.4826 -4.5222 -4.5220 -4.0822 -4.0761 -2.0272 -2.0222 -1.8163 -1.8137 -1.1575 -1.1531 -0.7458 -0.7324 0.3679 0.3885 0.4379 0.4598 0.7343 0.7344 1.2577 1.2651 2.1330 2.1345 2.1669 2.1726 2.6200 2.6237 2.9400 2.9423 3.1654 3.1662 3.6826 3.6837 3.7656 3.7674 4.1138 4.1146 9.1159 9.1264 9.5666 9.5699 10.0462 10.0666 10.9421 10.9428 11.2886 11.2947 k = 0.0000 0.5593 0.1384 ( 5030 PWs) bands (ev): -13.4321 -13.4320 -13.2081 -13.2081 -11.4048 -11.4046 -11.1036 -11.1026 -9.5390 -9.5349 -9.5126 -9.5112 -4.4992 -4.4989 -4.0543 -4.0475 -2.0526 -2.0468 -1.7819 -1.7785 -1.1297 -1.1248 -0.7984 -0.7848 0.3590 0.3812 0.4433 0.4652 0.7508 0.7521 1.2730 1.2809 2.0918 2.0938 2.1712 2.1781 2.6433 2.6472 2.9452 2.9477 3.1541 3.1551 3.6806 3.6819 3.7767 3.7788 4.1105 4.1115 9.0945 9.1060 9.5395 9.5447 9.9862 10.0097 10.9190 10.9192 11.3554 11.3618 k = 0.0000 0.5593 0.1557 ( 5028 PWs) bands (ev): -13.4277 -13.4275 -13.2087 -13.2086 -11.3903 -11.3902 -11.0932 -11.0921 -9.5692 -9.5647 -9.5444 -9.5428 -4.4735 -4.4732 -4.0234 -4.0159 -2.0814 -2.0751 -1.7446 -1.7403 -1.0973 -1.0922 -0.8526 -0.8392 0.3504 0.3739 0.4487 0.4703 0.7675 0.7701 1.2876 1.2959 2.0499 2.0522 2.1754 2.1833 2.6654 2.6694 2.9514 2.9539 3.1416 3.1428 3.6779 3.6794 3.7888 3.7910 4.1068 4.1078 9.0739 9.0863 9.5096 9.5167 9.9340 9.9605 10.8958 10.8959 11.4126 11.4195 k = 0.0000 0.5593 0.1730 ( 5020 PWs) bands (ev): -13.4228 -13.4227 -13.2094 -13.2093 -11.3742 -11.3741 -11.0815 -11.0803 -9.6022 -9.5974 -9.5787 -9.5770 -4.4455 -4.4450 -3.9897 -3.9816 -2.1137 -2.1069 -1.7056 -1.7003 -1.0605 -1.0555 -0.9062 -0.8938 0.3423 0.3669 0.4539 0.4749 0.7839 0.7877 1.3008 1.3095 2.0080 2.0104 2.1785 2.1874 2.6861 2.6902 2.9586 2.9610 3.1281 3.1296 3.6743 3.6760 3.8016 3.8038 4.1025 4.1037 9.0550 9.0682 9.4777 9.4867 9.8894 9.9190 10.8725 10.8729 11.4598 11.4673 k = 0.0000 0.5593 0.1903 ( 5024 PWs) bands (ev): -13.4175 -13.4174 -13.2102 -13.2101 -11.3565 -11.3563 -11.0686 -11.0673 -9.6380 -9.6330 -9.6151 -9.6135 -4.4151 -4.4146 -3.9536 -3.9448 -2.1490 -2.1419 -1.6667 -1.6600 -1.0200 -1.0172 -0.9551 -0.9460 0.3351 0.3606 0.4589 0.4792 0.7996 0.8047 1.3118 1.3209 1.9666 1.9690 2.1800 2.1899 2.7055 2.7097 2.9667 2.9691 3.1139 3.1156 3.6698 3.6716 3.8149 3.8171 4.0977 4.0991 9.0385 9.0524 9.4455 9.4561 9.8521 9.8844 10.8493 10.8499 11.4974 11.5057 k = 0.0000 0.5593 0.2076 ( 5026 PWs) bands (ev): -13.4119 -13.4117 -13.2112 -13.2111 -11.3370 -11.3368 -11.0544 -11.0530 -9.6764 -9.6714 -9.6533 -9.6519 -4.3827 -4.3820 -3.9153 -3.9059 -2.1871 -2.1797 -1.6305 -1.6220 -1.0152 -1.0006 -0.9682 -0.9583 0.3288 0.3551 0.4636 0.4832 0.8144 0.8205 1.3199 1.3294 1.9262 1.9285 2.1793 2.1902 2.7235 2.7278 2.9757 2.9780 3.0992 3.1013 3.6641 3.6662 3.8284 3.8306 4.0925 4.0940 9.0253 9.0400 9.4143 9.4263 9.8213 9.8559 10.8259 10.8267 11.5264 11.5358 k = 0.0000 0.5593 0.2249 ( 5030 PWs) bands (ev): -13.4058 -13.4057 -13.2123 -13.2122 -11.3159 -11.3156 -11.0390 -11.0374 -9.7173 -9.7126 -9.6929 -9.6919 -4.3482 -4.3474 -3.8751 -3.8652 -2.2276 -2.2201 -1.6012 -1.5905 -1.0492 -1.0372 -0.9215 -0.9120 0.3236 0.3506 0.4680 0.4868 0.8278 0.8350 1.3241 1.3341 1.8874 1.8896 2.1759 2.1879 2.7401 2.7444 2.9853 2.9874 3.0847 3.0871 3.6573 3.6596 3.8420 3.8441 4.0868 4.0884 9.0160 9.0314 9.3859 9.3989 9.7961 9.8326 10.8024 10.8031 11.5480 11.5586 k = 0.0000 0.5593 0.2422 ( 5032 PWs) bands (ev): -13.3995 -13.3993 -13.2136 -13.2135 -11.2931 -11.2929 -11.0223 -11.0206 -9.7603 -9.7560 -9.7337 -9.7333 -4.3119 -4.3110 -3.8333 -3.8230 -2.2700 -2.2625 -1.5842 -1.5710 -1.0715 -1.0622 -0.8681 -0.8587 0.3196 0.3472 0.4720 0.4902 0.8399 0.8478 1.3237 1.3343 1.8510 1.8529 2.1695 2.1824 2.7552 2.7595 2.9946 2.9964 3.0714 3.0742 3.6492 3.6516 3.8555 3.8576 4.0807 4.0825 9.0111 9.0273 9.3615 9.3753 9.7755 9.8138 10.7785 10.7791 11.5631 11.5751 k = 0.0000 0.5593 0.2595 ( 5038 PWs) bands (ev): -13.3929 -13.3927 -13.2152 -13.2151 -11.2687 -11.2684 -11.0044 -11.0026 -9.8053 -9.8015 -9.7757 -9.7755 -4.2739 -4.2728 -3.7904 -3.7798 -2.3139 -2.3064 -1.5849 -1.5692 -1.0742 -1.0672 -0.8110 -0.8012 0.3167 0.3448 0.4759 0.4934 0.8503 0.8589 1.3177 1.3289 1.8178 1.8193 2.1596 2.1734 2.7688 2.7732 3.0013 3.0026 3.0621 3.0650 3.6398 3.6424 3.8687 3.8707 4.0744 4.0762 9.0112 9.0281 9.3424 9.3567 9.7590 9.7987 10.7540 10.7544 11.5721 11.5859 k = 0.0000 0.5593 0.2768 ( 5032 PWs) bands (ev): -13.3860 -13.3858 -13.2169 -13.2168 -11.2427 -11.2424 -10.9852 -10.9833 -9.8520 -9.8486 -9.8190 -9.8183 -4.2344 -4.2331 -3.7467 -3.7358 -2.3586 -2.3514 -1.6051 -1.5875 -1.0551 -1.0496 -0.7506 -0.7405 0.3151 0.3435 0.4795 0.4965 0.8588 0.8680 1.3053 1.3172 1.7885 1.7896 2.1462 2.1608 2.7809 2.7853 3.0017 3.0017 3.0611 3.0634 3.6290 3.6317 3.8816 3.8835 4.0678 4.0698 9.0165 9.0343 9.3293 9.3440 9.7459 9.7868 10.7287 10.7287 11.5750 11.5910 k = 0.0000 0.5593 0.2941 ( 5034 PWs) bands (ev): -13.3789 -13.3787 -13.2189 -13.2188 -11.2152 -11.2148 -10.9649 -10.9629 -9.9000 -9.8970 -9.8631 -9.8619 -4.1933 -4.1919 -3.7026 -3.6916 -2.4036 -2.3967 -1.6422 -1.6235 -1.0168 -1.0121 -0.6875 -0.6770 0.3146 0.3434 0.4829 0.4994 0.8654 0.8749 1.2860 1.2986 1.7637 1.7643 2.1290 2.1443 2.7915 2.7960 2.9930 2.9942 3.0694 3.0711 3.6168 3.6197 3.8941 3.8957 4.0611 4.0632 9.0271 9.0459 9.3231 9.3379 9.7356 9.7776 10.7019 10.7023 11.5708 11.5897 k = 0.0000 0.5593 0.3114 ( 5030 PWs) bands (ev): -13.3717 -13.3714 -13.2212 -13.2211 -11.1860 -11.1856 -10.9433 -10.9413 -9.9491 -9.9464 -9.9076 -9.9061 -4.1510 -4.1494 -3.6589 -3.6478 -2.4482 -2.4418 -1.6913 -1.6722 -0.9643 -0.9596 -0.6222 -0.6113 0.3153 0.3444 0.4862 0.5023 0.8699 0.8795 1.2597 1.2730 1.7436 1.7436 2.1081 2.1240 2.8007 2.8052 2.9800 2.9822 3.0834 3.0847 3.6032 3.6062 3.9060 3.9075 4.0544 4.0565 9.0433 9.0631 9.3239 9.3388 9.7279 9.7709 10.6736 10.6745 11.5552 11.5790 k = 0.0000 0.5593 0.3286 ( 5036 PWs) bands (ev): -13.3643 -13.3640 -13.2237 -13.2236 -11.1554 -11.1550 -10.9207 -10.9185 -9.9989 -9.9965 -9.9525 -9.9506 -4.1075 -4.1057 -3.6161 -3.6051 -2.4915 -2.4857 -1.7483 -1.7291 -0.9021 -0.8970 -0.5554 -0.5440 0.3173 0.3465 0.4894 0.5052 0.8719 0.8816 1.2267 1.2408 1.7276 1.7280 2.0838 2.1002 2.8085 2.8130 2.9656 2.9684 3.1003 3.1016 3.5883 3.5914 3.9172 3.9185 4.0478 4.0500 9.0648 9.0859 9.3322 9.3469 9.7223 9.7661 10.6435 10.6449 11.5079 11.5371 k = 0.0000 0.5593 0.3459 ( 5038 PWs) bands (ev): -13.3568 -13.3565 -13.2265 -13.2264 -11.1233 -11.1228 -10.8970 -10.8947 -10.0491 -10.0469 -9.9976 -9.9954 -4.0629 -4.0609 -3.5750 -3.5644 -2.5325 -2.5276 -1.8102 -1.7911 -0.8332 -0.8275 -0.4877 -0.4759 0.3205 0.3498 0.4927 0.5082 0.8714 0.8808 1.1878 1.2025 1.7156 1.7165 2.0564 2.0730 2.8150 2.8195 2.9509 2.9542 3.1190 3.1204 3.5722 3.5753 3.9278 3.9288 4.0414 4.0436 9.0916 9.1139 9.3479 9.3623 9.7187 9.7632 10.6113 10.6133 11.4435 11.4729 k = 0.0000 0.5593 0.3632 ( 5032 PWs) bands (ev): -13.3492 -13.3490 -13.2296 -13.2294 -11.0898 -11.0893 -10.8724 -10.8700 -10.0994 -10.0974 -10.0426 -10.0402 -4.0174 -4.0152 -3.5367 -3.5266 -2.5700 -2.5662 -1.8750 -1.8561 -0.7601 -0.7537 -0.4201 -0.4080 0.3253 0.3543 0.4961 0.5114 0.8679 0.8770 1.1438 1.1592 1.7070 1.7084 2.0264 2.0431 2.8203 2.8249 2.9366 2.9403 3.1388 3.1403 3.5549 3.5582 3.9375 3.9384 4.0353 4.0375 9.1232 9.1470 9.3708 9.3846 9.7167 9.7616 10.5763 10.5790 11.3757 11.4056 k = 0.0000 0.5593 0.3805 ( 5028 PWs) bands (ev): -13.3416 -13.3414 -13.2330 -13.2328 -11.0550 -11.0545 -10.8470 -10.8445 -10.1495 -10.1476 -10.0874 -10.0848 -3.9710 -3.9687 -3.5025 -3.4932 -2.6026 -2.6002 -1.9414 -1.9228 -0.6844 -0.6772 -0.3535 -0.3413 0.3317 0.3603 0.4998 0.5150 0.8613 0.8697 1.0958 1.1119 1.7013 1.7031 1.9944 2.0111 2.8246 2.8292 2.9229 2.9269 3.1594 3.1611 3.5368 3.5401 3.9465 3.9472 4.0295 4.0317 9.1592 9.1845 9.4005 9.4133 9.7163 9.7613 10.5382 10.5415 11.3076 11.3383 k = 0.0000 0.5593 0.3978 ( 5028 PWs) bands (ev): -13.3340 -13.3338 -13.2367 -13.2365 -11.0190 -11.0184 -10.8210 -10.8185 -10.1988 -10.1971 -10.1317 -10.1290 -3.9240 -3.9216 -3.4739 -3.4657 -2.6286 -2.6278 -2.0085 -1.9902 -0.6075 -0.5994 -0.2894 -0.2774 0.3404 0.3680 0.5040 0.5191 0.8512 0.8588 1.0450 1.0617 1.6980 1.7002 1.9613 1.9777 2.8279 2.8326 2.9101 2.9144 3.1805 3.1824 3.5178 3.5211 3.9547 3.9552 4.0242 4.0263 9.1989 9.2260 9.4363 9.4475 9.7176 9.7620 10.4964 10.5003 11.2412 11.2730 k = 0.0000 0.5593 0.4151 ( 5026 PWs) bands (ev): -13.3265 -13.3262 -13.2407 -13.2405 -10.9820 -10.9813 -10.7949 -10.7924 -10.2470 -10.2454 -10.1753 -10.1725 -3.8766 -3.8740 -3.4525 -3.4457 -2.6474 -2.6463 -2.0756 -2.0577 -0.5306 -0.5216 -0.2294 -0.2181 0.3519 0.3779 0.5088 0.5238 0.8373 0.8439 0.9925 1.0098 1.6966 1.6994 1.9279 1.9438 2.8306 2.8353 2.8983 2.9028 3.2019 3.2039 3.4982 3.5015 3.9621 3.9623 4.0193 4.0213 9.2416 9.2706 9.4767 9.4852 9.7213 9.7640 10.4502 10.4548 11.1786 11.2117 k = 0.0000 0.5593 0.4324 ( 5030 PWs) bands (ev): -13.3190 -13.3188 -13.2451 -13.2449 -10.9441 -10.9433 -10.7693 -10.7666 -10.2932 -10.2917 -10.2179 -10.2151 -3.8289 -3.8262 -3.4399 -3.4346 -2.6573 -2.6540 -2.1422 -2.1247 -0.4550 -0.4451 -0.1755 -0.1655 0.3671 0.3905 0.5146 0.5295 0.8194 0.8250 0.9397 0.9574 1.6972 1.7005 1.8949 1.9101 2.8327 2.8375 2.8876 2.8922 3.2235 3.2257 3.4781 3.4814 3.9687 3.9687 4.0148 4.0168 9.2864 9.3175 9.5198 9.5234 9.7294 9.7681 10.3993 10.4045 11.1218 11.1564 k = 0.0000 0.5593 0.4497 ( 5026 PWs) bands (ev): -13.3117 -13.3114 -13.2497 -13.2495 -10.9055 -10.9047 -10.7450 -10.7424 -10.3364 -10.3349 -10.2592 -10.2564 -3.7812 -3.7784 -3.4371 -3.4335 -2.6564 -2.6508 -2.2079 -2.1907 -0.3819 -0.3712 -0.1299 -0.1223 0.3869 0.4066 0.5214 0.5361 0.7974 0.8021 0.8882 0.9056 1.6995 1.7035 1.8632 1.8776 2.8346 2.8394 2.8780 2.8828 3.2452 3.2475 3.4576 3.4609 3.9744 3.9745 4.0108 4.0127 9.3322 9.3654 9.5564 9.5614 9.7460 9.7770 10.3432 10.3491 11.0727 11.1090 k = 0.0000 0.5593 0.4670 ( 5014 PWs) bands (ev): -13.3044 -13.3042 -13.2547 -13.2545 -10.8668 -10.8659 -10.7239 -10.7214 -10.3747 -10.3732 -10.2988 -10.2959 -3.7338 -3.7309 -3.4444 -3.4425 -2.6442 -2.6365 -2.2720 -2.2553 -0.3126 -0.3012 -0.0953 -0.0909 0.4121 0.4265 0.5291 0.5437 0.7718 0.7760 0.8397 0.8559 1.7038 1.7085 1.8336 1.8470 2.8363 2.8413 2.8696 2.8744 3.2668 3.2693 3.4369 3.4402 3.9793 3.9797 4.0071 4.0089 9.3778 9.4132 9.5775 9.5948 9.7765 9.7956 10.2823 10.2887 11.0330 11.0712 k = 0.0000 0.5593 0.4843 ( 5018 PWs) bands (ev): -13.2974 -13.2971 -13.2600 -13.2597 -10.8284 -10.8275 -10.7087 -10.7063 -10.4053 -10.4036 -10.3359 -10.3331 -3.6871 -3.6842 -3.4611 -3.4606 -2.6214 -2.6117 -2.3341 -2.3180 -0.2488 -0.2369 -0.0737 -0.0732 0.4422 0.4502 0.5370 0.5514 0.7443 0.7487 0.7961 0.8098 1.7102 1.7157 1.8066 1.8189 2.8382 2.8432 2.8622 2.8672 3.2884 3.2910 3.4160 3.4192 3.9837 3.9843 4.0037 4.0053 9.4220 9.4595 9.5834 9.6126 9.8224 9.8298 10.2171 10.2239 11.0042 11.0441 k = 0.0000 0.5593 0.5016 ( 5024 PWs) bands (ev): -13.2906 -13.2903 -13.2655 -13.2653 -10.7915 -10.7903 -10.7030 -10.7008 -10.4244 -10.4226 -10.3696 -10.3669 -3.6416 -3.6388 -3.4868 -3.4861 -2.5890 -2.5777 -2.3936 -2.3781 -0.1919 -0.1801 -0.0701 -0.0666 0.4756 0.4767 0.5424 0.5565 0.7198 0.7245 0.7588 0.7690 1.7189 1.7253 1.7827 1.7937 2.8404 2.8454 2.8560 2.8610 3.3099 3.3126 3.3950 3.3981 3.9876 3.9884 4.0005 4.0020 9.4635 9.5029 9.5760 9.6129 9.8799 9.8801 10.1486 10.1557 10.9871 11.0286 k = 0.0000 0.5593 0.5189 ( 5022 PWs) bands (ev): -13.2839 -13.2837 -13.2714 -13.2711 -10.7575 -10.7562 -10.7099 -10.7080 -10.4290 -10.4269 -10.3982 -10.3956 -3.5978 -3.5954 -3.5193 -3.5178 -2.5487 -2.5360 -2.4498 -2.4351 -0.1440 -0.1328 -0.0815 -0.0746 0.5036 0.5090 0.5403 0.5535 0.7062 0.7109 0.7289 0.7360 1.7303 1.7378 1.7620 1.7718 2.8432 2.8482 2.8508 2.8559 3.3313 3.3341 3.3739 3.3769 3.9911 3.9921 3.9975 3.9988 9.5009 9.5417 9.5585 9.5989 9.9411 9.9454 10.0784 10.0853 10.9822 11.0092 k = 0.0000 0.5593 0.5362 ( 5028 PWs) bands (ev): -13.2775 -13.2775 -13.2773 -13.2773 -10.7291 -10.7291 -10.7275 -10.7275 -10.4192 -10.4192 -10.4168 -10.4168 -3.5567 -3.5567 -3.5547 -3.5547 -2.5019 -2.5019 -2.4881 -2.4881 -0.1066 -0.1066 -0.0971 -0.0971 0.5266 0.5266 0.5370 0.5370 0.7097 0.7097 0.7149 0.7149 1.7446 1.7446 1.7532 1.7532 2.8466 2.8466 2.8516 2.8516 3.3526 3.3526 3.3555 3.3555 3.9944 3.9944 3.9955 3.9955 9.5330 9.5330 9.5743 9.5743 10.0084 10.0084 10.0146 10.0146 10.9897 10.9897 k = 0.0000 0.5593 0.5362 ( 5028 PWs) bands (ev): -13.2775 -13.2775 -13.2773 -13.2773 -10.7291 -10.7291 -10.7275 -10.7275 -10.4192 -10.4192 -10.4168 -10.4168 -3.5567 -3.5567 -3.5547 -3.5547 -2.5019 -2.5019 -2.4881 -2.4881 -0.1066 -0.1066 -0.0971 -0.0971 0.5266 0.5266 0.5370 0.5370 0.7097 0.7097 0.7149 0.7149 1.7446 1.7446 1.7532 1.7532 2.8466 2.8466 2.8516 2.8516 3.3526 3.3526 3.3555 3.3555 3.9944 3.9944 3.9955 3.9955 9.5330 9.5330 9.5743 9.5743 10.0084 10.0084 10.0146 10.0146 10.9897 10.9897 k = 0.0173 0.5593 0.5362 ( 5022 PWs) bands (ev): -13.2773 -13.2773 -13.2770 -13.2770 -10.7313 -10.7313 -10.7296 -10.7296 -10.4175 -10.4175 -10.4150 -10.4150 -3.5552 -3.5552 -3.5530 -3.5530 -2.5037 -2.5037 -2.4900 -2.4900 -0.1058 -0.1058 -0.0964 -0.0964 0.5203 0.5203 0.5362 0.5362 0.7097 0.7097 0.7231 0.7231 1.7436 1.7436 1.7522 1.7522 2.8477 2.8477 2.8528 2.8528 3.3529 3.3529 3.3559 3.3559 3.9927 3.9927 3.9939 3.9939 9.5312 9.5312 9.5722 9.5722 10.0096 10.0096 10.0175 10.0175 10.9885 10.9885 k = 0.0345 0.5593 0.5362 ( 5016 PWs) bands (ev): -13.2767 -13.2767 -13.2764 -13.2764 -10.7377 -10.7377 -10.7357 -10.7357 -10.4123 -10.4123 -10.4097 -10.4097 -3.5505 -3.5505 -3.5479 -3.5479 -2.5094 -2.5094 -2.4956 -2.4956 -0.1036 -0.1036 -0.0942 -0.0942 0.5064 0.5064 0.5301 0.5301 0.7165 0.7165 0.7392 0.7392 1.7405 1.7405 1.7493 1.7493 2.8512 2.8512 2.8564 2.8564 3.3539 3.3539 3.3571 3.3571 3.9878 3.9878 3.9892 3.9892 9.5258 9.5258 9.5660 9.5660 10.0140 10.0140 10.0254 10.0254 10.9849 10.9849 k = 0.0518 0.5593 0.5362 ( 5022 PWs) bands (ev): -13.2756 -13.2756 -13.2753 -13.2753 -10.7479 -10.7479 -10.7456 -10.7456 -10.4041 -10.4041 -10.4013 -10.4013 -3.5427 -3.5427 -3.5396 -3.5396 -2.5187 -2.5187 -2.5050 -2.5050 -0.0998 -0.0998 -0.0906 -0.0906 0.4890 0.4890 0.5183 0.5183 0.7303 0.7303 0.7594 0.7594 1.7356 1.7356 1.7446 1.7446 2.8569 2.8569 2.8622 2.8622 3.3555 3.3555 3.3591 3.3591 3.9796 3.9796 3.9814 3.9814 9.5173 9.5173 9.5561 9.5561 10.0219 10.0219 10.0371 10.0371 10.9789 10.9789 k = 0.0691 0.5593 0.5362 ( 5018 PWs) bands (ev): -13.2741 -13.2741 -13.2737 -13.2737 -10.7611 -10.7611 -10.7585 -10.7585 -10.3933 -10.3933 -10.3903 -10.3903 -3.5318 -3.5318 -3.5281 -3.5281 -2.5316 -2.5316 -2.5180 -2.5180 -0.0946 -0.0946 -0.0856 -0.0856 0.4698 0.4698 0.5025 0.5025 0.7491 0.7491 0.7823 0.7823 1.7290 1.7290 1.7382 1.7382 2.8646 2.8646 2.8701 2.8701 3.3578 3.3578 3.3619 3.3619 3.9684 3.9684 3.9705 3.9705 9.5061 9.5061 9.5433 9.5433 10.0332 10.0332 10.0520 10.0520 10.9708 10.9708 k = 0.0863 0.5593 0.5362 ( 5016 PWs) bands (ev): -13.2722 -13.2722 -13.2718 -13.2718 -10.7769 -10.7769 -10.7740 -10.7740 -10.3806 -10.3806 -10.3775 -10.3775 -3.5180 -3.5180 -3.5135 -3.5135 -2.5479 -2.5479 -2.5345 -2.5345 -0.0880 -0.0880 -0.0792 -0.0792 0.4499 0.4499 0.4844 0.4844 0.7711 0.7711 0.8066 0.8066 1.7208 1.7208 1.7303 1.7303 2.8739 2.8739 2.8796 2.8796 3.3610 3.3610 3.3656 3.3656 3.9543 3.9543 3.9567 3.9567 9.4929 9.4929 9.5282 9.5282 10.0472 10.0472 10.0695 10.0695 10.9607 10.9607 k = 0.1036 0.5593 0.5362 ( 5018 PWs) bands (ev): -13.2699 -13.2699 -13.2695 -13.2695 -10.7946 -10.7946 -10.7915 -10.7915 -10.3664 -10.3664 -10.3632 -10.3632 -3.5013 -3.5013 -3.4961 -3.4961 -2.5675 -2.5675 -2.5542 -2.5542 -0.0801 -0.0801 -0.0715 -0.0715 0.4297 0.4297 0.4652 0.4652 0.7949 0.7949 0.8319 0.8319 1.7114 1.7114 1.7211 1.7211 2.8846 2.8846 2.8904 2.8904 3.3651 3.3651 3.3702 3.3702 3.9373 3.9373 3.9402 3.9402 9.4782 9.4782 9.5115 9.5115 10.0637 10.0637 10.0889 10.0889 10.9487 10.9487 k = 0.1208 0.5593 0.5362 ( 5016 PWs) bands (ev): -13.2673 -13.2673 -13.2669 -13.2669 -10.8138 -10.8138 -10.8105 -10.8105 -10.3512 -10.3512 -10.3478 -10.3478 -3.4820 -3.4820 -3.4761 -3.4761 -2.5902 -2.5902 -2.5770 -2.5770 -0.0710 -0.0710 -0.0625 -0.0625 0.4098 0.4098 0.4454 0.4454 0.8198 0.8198 0.8577 0.8577 1.7009 1.7009 1.7109 1.7109 2.8962 2.8962 2.9021 2.9021 3.3703 3.3703 3.3759 3.3759 3.9178 3.9178 3.9211 3.9211 9.4627 9.4627 9.4939 9.4939 10.0820 10.0820 10.1098 10.1098 10.9350 10.9350 k = 0.1381 0.5593 0.5362 ( 5020 PWs) bands (ev): -13.2644 -13.2644 -13.2639 -13.2639 -10.8340 -10.8340 -10.8306 -10.8306 -10.3352 -10.3352 -10.3318 -10.3318 -3.4603 -3.4603 -3.4536 -3.4536 -2.6155 -2.6155 -2.6025 -2.6025 -0.0608 -0.0608 -0.0523 -0.0523 0.3902 0.3902 0.4256 0.4256 0.8452 0.8452 0.8836 0.8836 1.6896 1.6896 1.6998 1.6998 2.9082 2.9082 2.9142 2.9142 3.3766 3.3766 3.3826 3.3826 3.8960 3.8960 3.8997 3.8997 9.4467 9.4467 9.4759 9.4759 10.1019 10.1019 10.1319 10.1319 10.9200 10.9200 k = 0.1554 0.5593 0.5362 ( 5026 PWs) bands (ev): -13.2612 -13.2612 -13.2607 -13.2607 -10.8550 -10.8550 -10.8515 -10.8515 -10.3188 -10.3188 -10.3153 -10.3153 -3.4365 -3.4365 -3.4290 -3.4290 -2.6433 -2.6433 -2.6303 -2.6303 -0.0495 -0.0495 -0.0409 -0.0409 0.3711 0.3711 0.4060 0.4060 0.8707 0.8707 0.9093 0.9093 1.6779 1.6779 1.6883 1.6883 2.9204 2.9204 2.9264 2.9264 3.3841 3.3841 3.3906 3.3906 3.8722 3.8722 3.8763 3.8763 9.4308 9.4308 9.4580 9.4580 10.1229 10.1229 10.1549 10.1549 10.9039 10.9039 k = 0.1726 0.5593 0.5362 ( 5022 PWs) bands (ev): -13.2578 -13.2578 -13.2573 -13.2573 -10.8764 -10.8764 -10.8728 -10.8728 -10.3020 -10.3020 -10.2986 -10.2986 -3.4110 -3.4110 -3.4028 -3.4028 -2.6729 -2.6729 -2.6600 -2.6600 -0.0372 -0.0372 -0.0284 -0.0284 0.3527 0.3527 0.3868 0.3868 0.8959 0.8959 0.9345 0.9345 1.6659 1.6659 1.6764 1.6764 2.9321 2.9321 2.9381 2.9381 3.3930 3.3930 3.3999 3.3999 3.8467 3.8467 3.8512 3.8512 9.4151 9.4151 9.4404 9.4404 10.1449 10.1449 10.1784 10.1784 10.8869 10.8869 k = 0.1899 0.5593 0.5362 ( 5022 PWs) bands (ev): -13.2542 -13.2542 -13.2537 -13.2537 -10.8980 -10.8980 -10.8944 -10.8944 -10.2851 -10.2851 -10.2817 -10.2817 -3.3845 -3.3845 -3.3755 -3.3755 -2.7039 -2.7039 -2.6910 -2.6910 -0.0241 -0.0241 -0.0149 -0.0149 0.3349 0.3349 0.3681 0.3681 0.9206 0.9206 0.9590 0.9590 1.6540 1.6540 1.6646 1.6646 2.9430 2.9430 2.9489 2.9489 3.4033 3.4033 3.4106 3.4106 3.8200 3.8200 3.8249 3.8249 9.3999 9.3999 9.4236 9.4236 10.1674 10.1674 10.2022 10.2022 10.8695 10.8695 k = 0.2072 0.5593 0.5362 ( 5018 PWs) bands (ev): -13.2505 -13.2505 -13.2500 -13.2500 -10.9196 -10.9196 -10.9160 -10.9160 -10.2682 -10.2682 -10.2648 -10.2648 -3.3576 -3.3576 -3.3480 -3.3480 -2.7354 -2.7354 -2.7224 -2.7224 -0.0103 -0.0103 -0.0005 -0.0005 0.3180 0.3180 0.3500 0.3500 0.9443 0.9443 0.9826 0.9826 1.6425 1.6425 1.6530 1.6530 2.9527 2.9527 2.9584 2.9584 3.4150 3.4150 3.4225 3.4225 3.7924 3.7924 3.7977 3.7977 9.3853 9.3853 9.4075 9.4075 10.1903 10.1903 10.2260 10.2260 10.8520 10.8520 k = 0.2244 0.5593 0.5362 ( 5024 PWs) bands (ev): -13.2468 -13.2468 -13.2462 -13.2462 -10.9410 -10.9410 -10.9374 -10.9374 -10.2513 -10.2513 -10.2480 -10.2480 -3.3315 -3.3315 -3.3212 -3.3212 -2.7663 -2.7663 -2.7533 -2.7533 0.0042 0.0042 0.0146 0.0146 0.3018 0.3018 0.3327 0.3327 0.9669 0.9669 1.0049 1.0049 1.6316 1.6316 1.6419 1.6419 2.9608 2.9608 2.9663 2.9663 3.4280 3.4280 3.4357 3.4357 3.7645 3.7645 3.7702 3.7702 9.3715 9.3715 9.3925 9.3925 10.2132 10.2132 10.2495 10.2495 10.8349 10.8349 k = 0.2417 0.5593 0.5362 ( 5026 PWs) bands (ev): -13.2430 -13.2430 -13.2424 -13.2424 -10.9619 -10.9619 -10.9584 -10.9584 -10.2345 -10.2345 -10.2312 -10.2312 -3.3077 -3.3077 -3.2968 -3.2968 -2.7950 -2.7950 -2.7820 -2.7820 0.0191 0.0191 0.0303 0.0303 0.2866 0.2866 0.3161 0.3161 0.9880 0.9880 1.0257 1.0257 1.6216 1.6216 1.6316 1.6316 2.9671 2.9671 2.9724 2.9724 3.4419 3.4419 3.4498 3.4498 3.7370 3.7370 3.7429 3.7429 9.3585 9.3585 9.3784 9.3784 10.2357 10.2357 10.2723 10.2723 10.8187 10.8187 k = 0.2590 0.5593 0.5362 ( 5018 PWs) bands (ev): -13.2393 -13.2393 -13.2387 -13.2387 -10.9824 -10.9824 -10.9788 -10.9788 -10.2179 -10.2179 -10.2147 -10.2147 -3.2882 -3.2882 -3.2769 -3.2769 -2.8195 -2.8195 -2.8065 -2.8065 0.0343 0.0343 0.0462 0.0462 0.2725 0.2725 0.3007 0.3007 1.0073 1.0073 1.0446 1.0446 1.6128 1.6128 1.6223 1.6223 2.9715 2.9715 2.9765 2.9765 3.4564 3.4564 3.4642 3.4642 3.7107 3.7107 3.7169 3.7169 9.3463 9.3463 9.3654 9.3654 10.2574 10.2574 10.2938 10.2938 10.8042 10.8042 k = 0.2762 0.5593 0.5362 ( 5014 PWs) bands (ev): -13.2357 -13.2357 -13.2351 -13.2351 -11.0021 -11.0021 -10.9986 -10.9986 -10.2015 -10.2015 -10.1982 -10.1982 -3.2756 -3.2756 -3.2643 -3.2643 -2.8370 -2.8370 -2.8241 -2.8241 0.0494 0.0494 0.0621 0.0621 0.2597 0.2597 0.2866 0.2866 1.0244 1.0244 1.0613 1.0613 1.6056 1.6056 1.6143 1.6143 2.9738 2.9738 2.9787 2.9787 3.4705 3.4705 3.4781 3.4781 3.6867 3.6867 3.6930 3.6930 9.3348 9.3348 9.3532 9.3532 10.2777 10.2777 10.3134 10.3134 10.7921 10.7921 k = 0.2935 0.5593 0.5362 ( 5016 PWs) bands (ev): -13.2323 -13.2323 -13.2317 -13.2317 -11.0210 -11.0210 -11.0175 -11.0175 -10.1852 -10.1852 -10.1820 -10.1820 -3.2726 -3.2726 -3.2618 -3.2618 -2.8447 -2.8447 -2.8322 -2.8322 0.0638 0.0638 0.0773 0.0773 0.2488 0.2488 0.2745 0.2745 1.0389 1.0389 1.0754 1.0754 1.6002 1.6002 1.6081 1.6081 2.9742 2.9742 2.9788 2.9788 3.4827 3.4827 3.4898 3.4898 3.6669 3.6669 3.6730 3.6730 9.3239 9.3239 9.3419 9.3419 10.2957 10.2957 10.3303 10.3303 10.7835 10.7835 k = 0.3108 0.5593 0.5362 ( 5014 PWs) bands (ev): -13.2292 -13.2292 -13.2286 -13.2286 -11.0388 -11.0388 -11.0355 -11.0355 -10.1692 -10.1692 -10.1661 -10.1661 -3.2812 -3.2812 -3.2712 -3.2712 -2.8409 -2.8409 -2.8289 -2.8289 0.0767 0.0767 0.0910 0.0910 0.2406 0.2406 0.2650 0.2650 1.0504 1.0504 1.0864 1.0864 1.5969 1.5969 1.6039 1.6039 2.9727 2.9727 2.9772 2.9772 3.4906 3.4906 3.4970 3.4970 3.6537 3.6537 3.6593 3.6593 9.3135 9.3135 9.3312 9.3312 10.3105 10.3105 10.3438 10.3438 10.7792 10.7792 k = 0.3280 0.5593 0.5362 ( 5012 PWs) bands (ev): -13.2264 -13.2264 -13.2258 -13.2258 -11.0556 -11.0556 -11.0523 -11.0523 -10.1534 -10.1534 -10.1503 -10.1503 -3.3015 -3.3015 -3.2923 -3.2923 -2.8257 -2.8257 -2.8141 -2.8141 0.0870 0.0870 0.1018 0.1018 0.2361 0.2361 0.2595 0.2595 1.0585 1.0585 1.0939 1.0939 1.5960 1.5960 1.6023 1.6023 2.9695 2.9695 2.9739 2.9739 3.4919 3.4919 3.4974 3.4974 3.6495 3.6495 3.6545 3.6545 9.3036 9.3036 9.3210 9.3210 10.3210 10.3210 10.3529 10.3529 10.7802 10.7802 k = 0.3453 0.5593 0.5362 ( 5010 PWs) bands (ev): -13.2240 -13.2240 -13.2234 -13.2234 -11.0711 -11.0711 -11.0679 -11.0679 -10.1378 -10.1378 -10.1348 -10.1348 -3.3320 -3.3320 -3.3233 -3.3233 -2.8009 -2.8009 -2.7895 -2.7895 0.0932 0.0932 0.1082 0.1082 0.2370 0.2370 0.2593 0.2593 1.0628 1.0628 1.0976 1.0976 1.5977 1.5977 1.6036 1.6036 2.9650 2.9650 2.9693 2.9693 3.4854 3.4854 3.4904 3.4904 3.6547 3.6547 3.6593 3.6593 9.2939 9.2939 9.3112 9.3112 10.3262 10.3262 10.3573 10.3573 10.7867 10.7867 k = 0.3453 0.5593 0.5362 ( 5010 PWs) bands (ev): -13.2240 -13.2240 -13.2234 -13.2234 -11.0711 -11.0711 -11.0679 -11.0679 -10.1378 -10.1378 -10.1348 -10.1348 -3.3320 -3.3320 -3.3233 -3.3233 -2.8009 -2.8009 -2.7895 -2.7895 0.0932 0.0932 0.1082 0.1082 0.2370 0.2370 0.2593 0.2593 1.0628 1.0628 1.0976 1.0976 1.5977 1.5977 1.6036 1.6036 2.9650 2.9650 2.9693 2.9693 3.4854 3.4854 3.4904 3.4904 3.6547 3.6547 3.6593 3.6593 9.2939 9.2939 9.3112 9.3112 10.3262 10.3262 10.3573 10.3573 10.7867 10.7867 k = 0.3362 0.5446 0.5362 ( 5006 PWs) bands (ev): -13.2283 -13.2283 -13.2277 -13.2277 -11.0420 -11.0420 -11.0386 -11.0386 -10.1675 -10.1675 -10.1644 -10.1644 -3.2647 -3.2647 -3.2552 -3.2552 -2.8571 -2.8571 -2.8458 -2.8458 0.0860 0.0860 0.1009 0.1009 0.2295 0.2295 0.2537 0.2537 1.0580 1.0580 1.0939 1.0939 1.5929 1.5929 1.5988 1.5988 2.9743 2.9743 2.9787 2.9787 3.5048 3.5048 3.5101 3.5101 3.6375 3.6375 3.6422 3.6422 9.3109 9.3109 9.3284 9.3284 10.3210 10.3210 10.3532 10.3532 10.7775 10.7775 k = 0.3271 0.5299 0.5362 ( 5004 PWs) bands (ev): -13.2328 -13.2328 -13.2322 -13.2322 -11.0115 -11.0115 -11.0080 -11.0080 -10.1975 -10.1975 -10.1943 -10.1943 -3.1959 -3.1959 -3.1854 -3.1854 -2.9156 -2.9156 -2.9045 -2.9045 0.0787 0.0787 0.0934 0.0934 0.2217 0.2217 0.2477 0.2477 1.0523 1.0523 1.0891 1.0891 1.5901 1.5901 1.5960 1.5960 2.9825 2.9825 2.9870 2.9870 3.5250 3.5250 3.5306 3.5306 3.6217 3.6217 3.6263 3.6263 9.3252 9.3252 9.3426 9.3426 10.3141 10.3141 10.3473 10.3473 10.7724 10.7724 k = 0.3180 0.5151 0.5362 ( 5012 PWs) bands (ev): -13.2375 -13.2375 -13.2369 -13.2369 -10.9796 -10.9796 -10.9759 -10.9759 -10.2277 -10.2277 -10.2245 -10.2245 -3.1261 -3.1261 -3.1144 -3.1144 -2.9760 -2.9760 -2.9654 -2.9654 0.0710 0.0710 0.0855 0.0855 0.2135 0.2135 0.2413 0.2413 1.0458 1.0458 1.0834 1.0834 1.5894 1.5894 1.5952 1.5952 2.9895 2.9895 2.9942 2.9942 3.5457 3.5457 3.5518 3.5518 3.6076 3.6076 3.6119 3.6119 9.3363 9.3363 9.3534 9.3534 10.3049 10.3049 10.3390 10.3390 10.7723 10.7723 k = 0.3089 0.5004 0.5362 ( 5016 PWs) bands (ev): -13.2424 -13.2424 -13.2418 -13.2418 -10.9464 -10.9464 -10.9426 -10.9426 -10.2580 -10.2580 -10.2548 -10.2548 -3.0597 -3.0597 -3.0439 -3.0439 -3.0341 -3.0341 -3.0269 -3.0269 0.0630 0.0630 0.0772 0.0772 0.2050 0.2050 0.2345 0.2345 1.0387 1.0387 1.0770 1.0770 1.5909 1.5909 1.5967 1.5967 2.9953 2.9953 3.0001 3.0001 3.5663 3.5663 3.5735 3.5735 3.5959 3.5959 3.5991 3.5991 9.3438 9.3438 9.3607 9.3607 10.2929 10.2929 10.3278 10.3278 10.7777 10.7777 k = 0.2999 0.4857 0.5362 ( 5012 PWs) bands (ev): -13.2476 -13.2476 -13.2469 -13.2469 -10.9120 -10.9120 -10.9080 -10.9080 -10.2882 -10.2882 -10.2851 -10.2851 -3.1052 -3.1052 -3.0939 -3.0939 -2.9815 -2.9815 -2.9690 -2.9690 0.0544 0.0544 0.0683 0.0683 0.1962 0.1962 0.2274 0.2274 1.0313 1.0313 1.0700 1.0700 1.5947 1.5947 1.6006 1.6006 3.0000 3.0000 3.0049 3.0049 3.5783 3.5783 3.5873 3.5873 3.5948 3.5948 3.5963 3.5963 9.3478 9.3478 9.3642 9.3642 10.2778 10.2778 10.3131 10.3131 10.7888 10.7888 k = 0.2908 0.4710 0.5362 ( 5012 PWs) bands (ev): -13.2528 -13.2528 -13.2521 -13.2521 -10.8764 -10.8764 -10.8723 -10.8723 -10.3183 -10.3183 -10.3152 -10.3152 -3.1711 -3.1711 -3.1605 -3.1605 -2.9097 -2.9097 -2.8958 -2.8958 0.0451 0.0451 0.0586 0.0586 0.1872 0.1872 0.2200 0.2200 1.0239 1.0239 1.0628 1.0628 1.6010 1.6010 1.6069 1.6069 3.0036 3.0036 3.0085 3.0085 3.5722 3.5722 3.5782 3.5782 3.6139 3.6139 3.6185 3.6185 9.3482 9.3482 9.3641 9.3641 10.2590 10.2590 10.2947 10.2947 10.8055 10.8055 k = 0.2817 0.4563 0.5362 ( 5016 PWs) bands (ev): -13.2583 -13.2583 -13.2576 -13.2576 -10.8396 -10.8396 -10.8354 -10.8354 -10.3482 -10.3482 -10.3450 -10.3450 -3.2389 -3.2389 -3.2289 -3.2289 -2.8374 -2.8374 -2.8224 -2.8224 0.0348 0.0348 0.0481 0.0481 0.1780 0.1780 0.2123 0.2123 1.0165 1.0165 1.0556 1.0556 1.6097 1.6097 1.6156 1.6156 3.0059 3.0059 3.0110 3.0110 3.5652 3.5652 3.5706 3.5706 3.6358 3.6358 3.6411 3.6411 9.3452 9.3452 9.3604 9.3604 10.2364 10.2364 10.2723 10.2723 10.8275 10.8275 k = 0.2726 0.4415 0.5362 ( 5012 PWs) bands (ev): -13.2639 -13.2639 -13.2631 -13.2631 -10.8018 -10.8018 -10.7976 -10.7976 -10.3776 -10.3776 -10.3745 -10.3745 -3.3081 -3.3081 -3.2986 -3.2986 -2.7653 -2.7653 -2.7491 -2.7491 0.0236 0.0236 0.0365 0.0365 0.1687 0.1687 0.2045 0.2045 1.0096 1.0096 1.0487 1.0487 1.6210 1.6210 1.6270 1.6270 3.0073 3.0073 3.0124 3.0124 3.5596 3.5596 3.5646 3.5646 3.6580 3.6580 3.6637 3.6637 9.3389 9.3389 9.3536 9.3536 10.2099 10.2099 10.2459 10.2459 10.8545 10.8545 k = 0.2635 0.4268 0.5362 ( 5012 PWs) bands (ev): -13.2696 -13.2696 -13.2688 -13.2688 -10.7631 -10.7631 -10.7587 -10.7587 -10.4067 -10.4067 -10.4036 -10.4036 -3.3786 -3.3786 -3.3695 -3.3695 -2.6935 -2.6935 -2.6762 -2.6762 0.0113 0.0113 0.0239 0.0239 0.1593 0.1593 0.1965 0.1965 1.0034 1.0034 1.0422 1.0422 1.6347 1.6347 1.6408 1.6408 3.0076 3.0076 3.0128 3.0128 3.5557 3.5557 3.5603 3.5603 3.6802 3.6802 3.6863 3.6863 9.3299 9.3299 9.3439 9.3439 10.1795 10.1795 10.2154 10.2154 10.8861 10.8861 k = 0.2544 0.4121 0.5362 ( 5008 PWs) bands (ev): -13.2754 -13.2754 -13.2747 -13.2747 -10.7235 -10.7235 -10.7190 -10.7190 -10.4351 -10.4351 -10.4321 -10.4321 -3.4500 -3.4500 -3.4415 -3.4415 -2.6225 -2.6225 -2.6040 -2.6040 -0.0022 -0.0022 0.0100 0.0100 0.1500 0.1500 0.1885 0.1885 0.9980 0.9980 1.0365 1.0365 1.6509 1.6509 1.6570 1.6570 3.0070 3.0070 3.0123 3.0123 3.5534 3.5534 3.5576 3.5576 3.7022 3.7022 3.7085 3.7085 9.3184 9.3184 9.3317 9.3317 10.1454 10.1454 10.1812 10.1812 10.9214 10.9214 k = 0.2453 0.3974 0.5362 ( 5028 PWs) bands (ev): -13.2813 -13.2813 -13.2806 -13.2806 -10.6831 -10.6831 -10.6785 -10.6785 -10.4630 -10.4630 -10.4601 -10.4601 -3.5222 -3.5222 -3.5142 -3.5142 -2.5523 -2.5523 -2.5328 -2.5328 -0.0169 -0.0169 -0.0051 -0.0051 0.1409 0.1409 0.1806 0.1806 0.9937 0.9937 1.0317 1.0317 1.6693 1.6693 1.6756 1.6756 3.0055 3.0055 3.0109 3.0109 3.5526 3.5526 3.5565 3.5565 3.7238 3.7238 3.7304 3.7304 9.3048 9.3048 9.3176 9.3176 10.1079 10.1079 10.1433 10.1433 10.9599 10.9599 k = 0.2362 0.3827 0.5362 ( 5014 PWs) bands (ev): -13.2873 -13.2873 -13.2866 -13.2866 -10.6420 -10.6420 -10.6374 -10.6374 -10.4901 -10.4901 -10.4873 -10.4873 -3.5951 -3.5951 -3.5876 -3.5876 -2.4834 -2.4834 -2.4628 -2.4628 -0.0329 -0.0329 -0.0215 -0.0215 0.1320 0.1320 0.1728 0.1728 0.9906 0.9906 1.0279 1.0279 1.6900 1.6900 1.6964 1.6964 3.0034 3.0034 3.0088 3.0088 3.5533 3.5533 3.5568 3.5568 3.7449 3.7449 3.7518 3.7518 9.2897 9.2897 9.3019 9.3019 10.0672 10.0672 10.1022 10.1022 11.0007 11.0007 k = 0.2272 0.3680 0.5362 ( 5018 PWs) bands (ev): -13.2934 -13.2934 -13.2926 -13.2926 -10.6004 -10.6004 -10.5956 -10.5956 -10.5165 -10.5165 -10.5138 -10.5138 -3.6683 -3.6683 -3.6614 -3.6614 -2.4159 -2.4159 -2.3942 -2.3942 -0.0502 -0.0502 -0.0391 -0.0391 0.1234 0.1234 0.1653 0.1653 0.9888 0.9888 1.0253 1.0253 1.7128 1.7128 1.7193 1.7193 3.0006 3.0006 3.0061 3.0061 3.5554 3.5554 3.5586 3.5586 3.7654 3.7654 3.7725 3.7725 9.2732 9.2732 9.2849 9.2849 10.0238 10.0238 10.0583 10.0583 11.0431 11.0431 k = 0.2181 0.3532 0.5362 ( 5014 PWs) bands (ev): -13.2995 -13.2995 -13.2987 -13.2987 -10.5594 -10.5594 -10.5539 -10.5539 -10.5410 -10.5410 -10.5391 -10.5391 -3.7417 -3.7417 -3.7353 -3.7353 -2.3500 -2.3500 -2.3274 -2.3274 -0.0685 -0.0685 -0.0578 -0.0578 0.1154 0.1154 0.1581 0.1581 0.9884 0.9884 1.0240 1.0240 1.7373 1.7373 1.7440 1.7440 2.9974 2.9974 3.0030 3.0030 3.5587 3.5587 3.5615 3.5615 3.7851 3.7851 3.7926 3.7926 9.2558 9.2558 9.2669 9.2669 9.9782 9.9782 10.0121 10.0121 11.0860 11.0860 k = 0.2090 0.3385 0.5362 ( 5010 PWs) bands (ev): -13.3056 -13.3056 -13.3048 -13.3048 -10.5677 -10.5677 -10.5647 -10.5647 -10.5149 -10.5149 -10.5106 -10.5106 -3.8151 -3.8151 -3.8092 -3.8092 -2.2860 -2.2860 -2.2625 -2.2625 -0.0879 -0.0879 -0.0776 -0.0776 0.1079 0.1079 0.1513 0.1513 0.9894 0.9894 1.0240 1.0240 1.7635 1.7635 1.7703 1.7703 2.9940 2.9940 2.9997 2.9997 3.5632 3.5632 3.5656 3.5656 3.8041 3.8041 3.8119 3.8119 9.2376 9.2376 9.2482 9.2482 9.9307 9.9307 9.9639 9.9639 11.1287 11.1287 k = 0.1999 0.3238 0.5362 ( 5014 PWs) bands (ev): -13.3117 -13.3117 -13.3109 -13.3109 -10.5914 -10.5914 -10.5886 -10.5886 -10.4724 -10.4724 -10.4679 -10.4679 -3.8882 -3.8882 -3.8828 -3.8828 -2.2241 -2.2241 -2.1998 -2.1998 -0.1083 -0.1083 -0.0983 -0.0983 0.1011 0.1011 0.1451 0.1451 0.9918 0.9918 1.0253 1.0253 1.7909 1.7909 1.7978 1.7978 2.9904 2.9904 2.9963 2.9963 3.5686 3.5686 3.5707 3.5707 3.8223 3.8223 3.8302 3.8302 9.2188 9.2188 9.2291 9.2291 9.8818 9.8818 9.9143 9.9143 11.1700 11.1700 k = 0.1908 0.3091 0.5362 ( 5014 PWs) bands (ev): -13.3177 -13.3177 -13.3170 -13.3170 -10.6143 -10.6143 -10.6117 -10.6117 -10.4296 -10.4296 -10.4251 -10.4251 -3.9607 -3.9607 -3.9559 -3.9559 -2.1644 -2.1644 -2.1394 -2.1394 -0.1293 -0.1293 -0.1197 -0.1197 0.0951 0.0951 0.1394 0.1394 0.9955 0.9955 1.0277 1.0277 1.8194 1.8194 1.8264 1.8264 2.9870 2.9870 2.9930 2.9930 3.5749 3.5749 3.5767 3.5767 3.8395 3.8395 3.8477 3.8477 9.1997 9.1997 9.2095 9.2095 9.8320 9.8320 9.8636 9.8636 11.2092 11.2092 k = 0.1817 0.2944 0.5362 ( 5022 PWs) bands (ev): -13.3237 -13.3237 -13.3230 -13.3230 -10.6363 -10.6363 -10.6338 -10.6338 -10.3869 -10.3869 -10.3823 -10.3823 -4.0326 -4.0326 -4.0282 -4.0282 -2.1072 -2.1072 -2.0815 -2.0815 -0.1510 -0.1510 -0.1417 -0.1417 0.0900 0.0900 0.1344 0.1344 1.0004 1.0004 1.0313 1.0313 1.8484 1.8484 1.8554 1.8554 2.9840 2.9840 2.9901 2.9901 3.5820 3.5820 3.5834 3.5834 3.8557 3.8557 3.8641 3.8641 9.1802 9.1802 9.1897 9.1897 9.7818 9.7818 9.8124 9.8124 11.2453 11.2453 k = 0.1726 0.2796 0.5362 ( 5022 PWs) bands (ev): -13.3296 -13.3296 -13.3289 -13.3289 -10.6573 -10.6573 -10.6549 -10.6549 -10.3443 -10.3443 -10.3398 -10.3398 -4.1034 -4.1034 -4.0995 -4.0995 -2.0524 -2.0524 -2.0264 -2.0264 -0.1730 -0.1730 -0.1640 -0.1640 0.0857 0.0857 0.1301 0.1301 1.0063 1.0063 1.0360 1.0360 1.8777 1.8777 1.8847 1.8847 2.9816 2.9816 2.9878 2.9878 3.5896 3.5896 3.5907 3.5907 3.8709 3.8709 3.8795 3.8795 9.1605 9.1605 9.1696 9.1696 9.7314 9.7314 9.7610 9.7610 11.2774 11.2774 k = 0.1636 0.2649 0.5362 ( 5026 PWs) bands (ev): -13.3354 -13.3354 -13.3347 -13.3347 -10.6773 -10.6773 -10.6751 -10.6751 -10.3021 -10.3021 -10.2977 -10.2977 -4.1730 -4.1730 -4.1695 -4.1695 -2.0004 -2.0004 -1.9740 -1.9740 -0.1951 -0.1951 -0.1866 -0.1866 0.0825 0.0825 0.1266 0.1266 1.0133 1.0133 1.0415 1.0415 1.9068 1.9068 1.9137 1.9137 2.9800 2.9800 2.9865 2.9865 3.5978 3.5978 3.5986 3.5986 3.8850 3.8850 3.8938 3.8938 9.1406 9.1406 9.1493 9.1493 9.6813 9.6813 9.7098 9.7098 11.3050 11.3050 k = 0.1545 0.2502 0.5362 ( 5024 PWs) bands (ev): -13.3410 -13.3410 -13.3403 -13.3403 -10.6963 -10.6963 -10.6942 -10.6942 -10.2605 -10.2605 -10.2561 -10.2561 -4.2411 -4.2411 -4.2380 -4.2380 -1.9511 -1.9511 -1.9246 -1.9246 -0.2172 -0.2172 -0.2091 -0.2091 0.0802 0.0802 0.1238 0.1238 1.0210 1.0210 1.0478 1.0478 1.9353 1.9353 1.9421 1.9421 2.9795 2.9795 2.9862 2.9862 3.6062 3.6062 3.6068 3.6068 3.8981 3.8981 3.9070 3.9070 9.1204 9.1204 9.1288 9.1288 9.6319 9.6319 9.6593 9.6593 11.3280 11.3280 k = 0.1454 0.2355 0.5362 ( 5028 PWs) bands (ev): -13.3465 -13.3465 -13.3459 -13.3459 -10.7143 -10.7143 -10.7122 -10.7122 -10.2196 -10.2196 -10.2153 -10.2153 -4.3074 -4.3074 -4.3047 -4.3047 -1.9046 -1.9046 -1.8782 -1.8782 -0.2391 -0.2391 -0.2314 -0.2314 0.0790 0.0790 0.1218 0.1218 1.0294 1.0294 1.0547 1.0547 1.9628 1.9628 1.9693 1.9693 2.9804 2.9804 2.9873 2.9873 3.6150 3.6150 3.6153 3.6153 3.9101 3.9101 3.9191 3.9191 9.1001 9.1001 9.1082 9.1082 9.5835 9.5835 9.6096 9.6096 11.3464 11.3464 k = 0.1363 0.2208 0.5362 ( 5016 PWs) bands (ev): -13.3518 -13.3518 -13.3512 -13.3512 -10.7312 -10.7312 -10.7292 -10.7292 -10.1796 -10.1796 -10.1754 -10.1754 -4.3716 -4.3716 -4.3693 -4.3693 -1.8610 -1.8610 -1.8349 -1.8349 -0.2606 -0.2606 -0.2532 -0.2532 0.0788 0.0788 0.1206 0.1206 1.0383 1.0383 1.0621 1.0621 1.9888 1.9888 1.9950 1.9950 2.9829 2.9829 2.9900 2.9900 3.6238 3.6238 3.6239 3.6239 3.9210 3.9210 3.9301 3.9301 9.0796 9.0796 9.0874 9.0874 9.5364 9.5364 9.5613 9.5613 11.3610 11.3610 k = 0.1272 0.2061 0.5362 ( 5018 PWs) bands (ev): -13.3569 -13.3569 -13.3563 -13.3563 -10.7470 -10.7470 -10.7452 -10.7452 -10.1407 -10.1407 -10.1367 -10.1367 -4.4335 -4.4335 -4.4316 -4.4316 -1.8204 -1.8204 -1.7948 -1.7948 -0.2814 -0.2814 -0.2745 -0.2745 0.0796 0.0796 0.1201 0.1201 1.0475 1.0475 1.0698 1.0698 2.0130 2.0130 2.0188 2.0188 2.9870 2.9870 2.9944 2.9944 3.6326 3.6326 3.6327 3.6327 3.9308 3.9308 3.9399 3.9399 9.0591 9.0591 9.0665 9.0665 9.4910 9.4910 9.5146 9.5146 11.3725 11.3726 k = 0.1181 0.1913 0.5362 ( 4994 PWs) bands (ev): -13.3618 -13.3618 -13.3612 -13.3612 -10.7617 -10.7617 -10.7600 -10.7600 -10.1032 -10.1032 -10.0994 -10.0994 -4.4928 -4.4928 -4.4912 -4.4912 -1.7827 -1.7827 -1.7578 -1.7578 -0.3015 -0.3015 -0.2950 -0.2950 0.0812 0.0812 0.1202 0.1202 1.0568 1.0568 1.0776 1.0776 2.0351 2.0351 2.0404 2.0404 2.9930 2.9930 3.0005 3.0005 3.6412 3.6412 3.6414 3.6414 3.9396 3.9396 3.9486 3.9486 9.0385 9.0385 9.0455 9.0455 9.4476 9.4476 9.4697 9.4697 11.3822 11.3822 k = 0.1090 0.1766 0.5362 ( 4998 PWs) bands (ev): -13.3664 -13.3664 -13.3658 -13.3658 -10.7753 -10.7753 -10.7738 -10.7738 -10.0673 -10.0673 -10.0636 -10.0636 -4.5492 -4.5492 -4.5478 -4.5478 -1.7480 -1.7480 -1.7240 -1.7240 -0.3206 -0.3206 -0.3146 -0.3146 0.0837 0.0837 0.1209 0.1209 1.0662 1.0662 1.0855 1.0855 2.0548 2.0548 2.0596 2.0596 3.0007 3.0007 3.0084 3.0084 3.6496 3.6496 3.6499 3.6499 3.9473 3.9473 3.9562 3.9562 9.0180 9.0180 9.0247 9.0247 9.4063 9.4063 9.4270 9.4270 11.3908 11.3908 k = 0.1000 0.1619 0.5362 ( 4990 PWs) bands (ev): -13.3707 -13.3707 -13.3702 -13.3702 -10.7879 -10.7879 -10.7864 -10.7864 -10.0331 -10.0331 -10.0297 -10.0297 -4.6024 -4.6024 -4.6013 -4.6013 -1.7162 -1.7162 -1.6934 -1.6934 -0.3387 -0.3387 -0.3331 -0.3331 0.0870 0.0870 0.1221 0.1221 1.0755 1.0755 1.0932 1.0932 2.0720 2.0720 2.0763 2.0763 3.0101 3.0101 3.0179 3.0179 3.6577 3.6577 3.6582 3.6582 3.9541 3.9541 3.9627 3.9627 8.9978 8.9978 9.0041 9.0041 9.3675 9.3675 9.3867 9.3867 11.3993 11.3993 k = 0.0909 0.1472 0.5362 ( 4978 PWs) bands (ev): -13.3747 -13.3747 -13.3742 -13.3742 -10.7993 -10.7993 -10.7980 -10.7980 -10.0010 -10.0010 -9.9978 -9.9978 -4.6522 -4.6522 -4.6513 -4.6513 -1.6874 -1.6874 -1.6659 -1.6659 -0.3556 -0.3556 -0.3504 -0.3504 0.0909 0.0909 0.1237 0.1237 1.0845 1.0845 1.1006 1.1006 2.0867 2.0867 2.0905 2.0905 3.0210 3.0210 3.0288 3.0288 3.6655 3.6655 3.6660 3.6660 3.9599 3.9599 3.9683 3.9683 8.9781 8.9781 8.9839 8.9839 9.3313 9.3313 9.3490 9.3490 11.4081 11.4081 k = 0.0818 0.1325 0.5362 ( 4994 PWs) bands (ev): -13.3784 -13.3784 -13.3780 -13.3780 -10.8097 -10.8097 -10.8085 -10.8085 -9.9710 -9.9710 -9.9681 -9.9681 -4.6982 -4.6982 -4.6975 -4.6975 -1.6613 -1.6613 -1.6414 -1.6414 -0.3712 -0.3712 -0.3665 -0.3665 0.0952 0.0952 0.1254 0.1254 1.0931 1.0931 1.1076 1.1076 2.0989 2.0989 2.1022 2.1022 3.0331 3.0331 3.0407 3.0407 3.6728 3.6728 3.6733 3.6733 3.9649 3.9649 3.9729 3.9729 8.9590 8.9590 8.9645 8.9645 9.2980 9.2980 9.3141 9.3141 11.4177 11.4177 k = 0.0727 0.1177 0.5362 ( 4988 PWs) bands (ev): -13.3818 -13.3818 -13.3814 -13.3814 -10.8189 -10.8189 -10.8179 -10.8179 -9.9435 -9.9435 -9.9408 -9.9408 -4.7402 -4.7402 -4.7397 -4.7397 -1.6381 -1.6381 -1.6199 -1.6199 -0.3853 -0.3853 -0.3811 -0.3811 0.0998 0.0998 0.1273 0.1273 1.1013 1.1013 1.1142 1.1142 2.1089 2.1089 2.1117 2.1117 3.0458 3.0458 3.0532 3.0532 3.6796 3.6796 3.6801 3.6801 3.9691 3.9691 3.9766 3.9766 8.9410 8.9410 8.9460 8.9460 9.2679 9.2679 9.2822 9.2822 11.4280 11.4280 k = 0.0636 0.1030 0.5362 ( 4996 PWs) bands (ev): -13.3848 -13.3848 -13.3844 -13.3844 -10.8271 -10.8271 -10.8261 -10.8261 -9.9186 -9.9186 -9.9162 -9.9162 -4.7780 -4.7780 -4.7775 -4.7775 -1.6177 -1.6177 -1.6014 -1.6014 -0.3980 -0.3980 -0.3943 -0.3943 0.1047 0.1047 0.1292 0.1292 1.1088 1.1088 1.1201 1.1201 2.1167 2.1167 2.1191 2.1191 3.0589 3.0589 3.0657 3.0657 3.6857 3.6857 3.6863 3.6863 3.9726 3.9726 3.9795 3.9795 8.9242 8.9242 8.9286 8.9286 9.2409 9.2409 9.2536 9.2536 11.4390 11.4390 k = 0.0545 0.0883 0.5362 ( 5010 PWs) bands (ev): -13.3874 -13.3874 -13.3871 -13.3871 -10.8341 -10.8341 -10.8333 -10.8333 -9.8966 -9.8966 -9.8945 -9.8945 -4.8112 -4.8112 -4.8109 -4.8109 -1.5999 -1.5999 -1.5857 -1.5857 -0.4090 -0.4090 -0.4059 -0.4059 0.1095 0.1095 0.1309 0.1309 1.1156 1.1156 1.1253 1.1253 2.1228 2.1228 2.1247 2.1247 3.0716 3.0716 3.0779 3.0779 3.6912 3.6912 3.6917 3.6917 3.9755 3.9755 3.9816 3.9816 8.9090 8.9090 8.9129 8.9129 9.2174 9.2174 9.2283 9.2283 11.4501 11.4501 k = 0.0454 0.0736 0.5362 ( 5022 PWs) bands (ev): -13.3896 -13.3896 -13.3894 -13.3894 -10.8401 -10.8401 -10.8394 -10.8394 -9.8776 -9.8776 -9.8758 -9.8758 -4.8398 -4.8398 -4.8396 -4.8396 -1.5848 -1.5848 -1.5727 -1.5727 -0.4185 -0.4185 -0.4158 -0.4158 0.1142 0.1142 0.1323 0.1323 1.1216 1.1216 1.1297 1.1297 2.1273 2.1273 2.1288 2.1288 3.0836 3.0836 3.0892 3.0892 3.6960 3.6960 3.6964 3.6964 3.9778 3.9778 3.9831 3.9831 8.8956 8.8956 8.8989 8.8989 9.1974 9.1974 9.2066 9.2066 11.4610 11.4611 k = 0.0363 0.0589 0.5362 ( 5014 PWs) bands (ev): -13.3915 -13.3915 -13.3913 -13.3913 -10.8449 -10.8449 -10.8444 -10.8444 -9.8617 -9.8617 -9.8603 -9.8603 -4.8634 -4.8634 -4.8633 -4.8633 -1.5723 -1.5723 -1.5625 -1.5625 -0.4262 -0.4262 -0.4241 -0.4241 0.1186 0.1186 0.1332 0.1332 1.1268 1.1268 1.1333 1.1333 2.1306 2.1306 2.1318 2.1318 3.0944 3.0944 3.0990 3.0990 3.7000 3.7000 3.7003 3.7003 3.9797 3.9797 3.9841 3.9841 8.8843 8.8843 8.8869 8.8869 9.1810 9.1810 9.1884 9.1884 11.4712 11.4713 k = 0.0273 0.0442 0.5362 ( 5010 PWs) bands (ev): -13.3929 -13.3929 -13.3928 -13.3928 -10.8487 -10.8487 -10.8483 -10.8483 -9.8492 -9.8492 -9.8481 -9.8481 -4.8820 -4.8820 -4.8819 -4.8819 -1.5623 -1.5623 -1.5549 -1.5549 -0.4322 -0.4322 -0.4306 -0.4306 0.1226 0.1226 0.1337 0.1337 1.1311 1.1311 1.1359 1.1359 2.1329 2.1329 2.1338 2.1338 3.1034 3.1034 3.1070 3.1070 3.7031 3.7031 3.7034 3.7034 3.9812 3.9812 3.9846 3.9846 8.8753 8.8753 8.8773 8.8773 9.1684 9.1684 9.1740 9.1740 11.4800 11.4801 k = 0.0182 0.0294 0.5362 ( 5010 PWs) bands (ev): -13.3940 -13.3940 -13.3938 -13.3938 -10.8514 -10.8514 -10.8511 -10.8511 -9.8401 -9.8401 -9.8394 -9.8394 -4.8953 -4.8953 -4.8953 -4.8953 -1.5549 -1.5549 -1.5499 -1.5499 -0.4364 -0.4364 -0.4354 -0.4354 0.1261 0.1261 0.1335 0.1335 1.1344 1.1344 1.1376 1.1376 2.1344 2.1344 2.1350 2.1350 3.1103 3.1103 3.1128 3.1128 3.7054 3.7054 3.7056 3.7056 3.9824 3.9824 3.9847 3.9847 8.8688 8.8688 8.8702 8.8702 9.1597 9.1597 9.1634 9.1634 11.4866 11.4867 k = 0.0091 0.0147 0.5362 ( 5018 PWs) bands (ev): -13.3946 -13.3946 -13.3945 -13.3945 -10.8529 -10.8529 -10.8528 -10.8528 -9.8346 -9.8346 -9.8342 -9.8342 -4.9034 -4.9034 -4.9034 -4.9034 -1.5499 -1.5499 -1.5474 -1.5474 -0.4389 -0.4389 -0.4383 -0.4383 0.1290 0.1290 0.1327 0.1327 1.1367 1.1367 1.1383 1.1383 2.1353 2.1353 2.1356 2.1356 3.1149 3.1149 3.1161 3.1161 3.7068 3.7068 3.7069 3.7069 3.9834 3.9834 3.9845 3.9845 8.8650 8.8650 8.8657 8.8657 9.1547 9.1547 9.1566 9.1566 11.4911 11.4913 k = 0.0000 0.0000 0.5362 ( 5018 PWs) bands (ev): -13.3947 -13.3947 -13.3947 -13.3947 -10.8534 -10.8534 -10.8534 -10.8534 -9.8326 -9.8326 -9.8326 -9.8326 -4.9061 -4.9061 -4.9061 -4.9061 -1.5474 -1.5474 -1.5474 -1.5474 -0.4395 -0.4395 -0.4395 -0.4395 0.1312 0.1312 0.1312 0.1312 1.1380 1.1380 1.1380 1.1380 2.1357 2.1357 2.1357 2.1357 3.1168 3.1168 3.1168 3.1168 3.7073 3.7073 3.7073 3.7073 3.9841 3.9841 3.9841 3.9841 8.8640 8.8640 8.8640 8.8640 9.1537 9.1537 9.1537 9.1537 11.4925 11.4925 k = 0.0000 0.0000 0.5362 ( 5018 PWs) bands (ev): -13.3947 -13.3947 -13.3947 -13.3947 -10.8534 -10.8534 -10.8534 -10.8534 -9.8326 -9.8326 -9.8326 -9.8326 -4.9061 -4.9061 -4.9061 -4.9061 -1.5474 -1.5474 -1.5474 -1.5474 -0.4395 -0.4395 -0.4395 -0.4395 0.1312 0.1312 0.1312 0.1312 1.1380 1.1380 1.1380 1.1380 2.1357 2.1357 2.1357 2.1357 3.1168 3.1168 3.1168 3.1168 3.7073 3.7073 3.7073 3.7073 3.9841 3.9841 3.9841 3.9841 8.8640 8.8640 8.8640 8.8640 9.1537 9.1537 9.1537 9.1537 11.4925 11.4925 k = 0.0000 0.0000 0.5189 ( 5010 PWs) bands (ev): -13.4113 -13.4113 -13.3785 -13.3785 -10.8929 -10.8929 -10.8124 -10.8124 -9.8350 -9.8350 -9.8308 -9.8308 -4.9066 -4.9066 -4.9022 -4.9022 -1.6810 -1.6810 -1.4159 -1.4159 -0.4737 -0.4737 -0.4060 -0.4060 0.0921 0.0921 0.1730 0.1730 1.1218 1.1218 1.1478 1.1478 2.1294 2.1294 2.1438 2.1438 3.1067 3.1067 3.1271 3.1271 3.6993 3.6993 3.7151 3.7151 3.9717 3.9717 3.9944 3.9944 8.8327 8.8327 8.8925 8.8925 9.1565 9.1565 9.1624 9.1624 11.4597 11.4597 k = 0.0000 0.0000 0.5016 ( 5015 PWs) bands (ev): -13.4280 -13.4280 -13.3625 -13.3625 -10.9310 -10.9310 -10.7700 -10.7700 -9.8379 -9.8379 -9.8296 -9.8296 -4.9039 -4.9039 -4.8949 -4.8949 -1.8158 -1.8158 -1.2874 -1.2874 -0.5084 -0.5084 -0.3733 -0.3733 0.0565 0.0565 0.2169 0.2169 1.0996 1.0996 1.1511 1.1511 2.1248 2.1248 2.1536 2.1536 3.0969 3.0969 3.1375 3.1375 3.6909 3.6909 3.7225 3.7225 3.9575 3.9575 4.0027 4.0027 8.7984 8.7984 8.9186 8.9186 9.1706 9.1706 9.1824 9.1824 11.4219 11.4219 k = 0.0000 0.0000 0.4843 ( 5023 PWs) bands (ev): -13.4450 -13.4450 -13.3469 -13.3469 -10.9675 -10.9675 -10.7261 -10.7261 -9.8414 -9.8414 -9.8290 -9.8290 -4.8979 -4.8979 -4.8843 -4.8843 -1.9514 -1.9514 -1.1631 -1.1631 -0.5434 -0.5434 -0.3418 -0.3418 0.0254 0.0254 0.2626 0.2626 1.0716 1.0716 1.1477 1.1477 2.1218 2.1218 2.1652 2.1652 3.0874 3.0874 3.1479 3.1479 3.6825 3.6825 3.7293 3.7293 3.9415 3.9415 4.0090 4.0090 8.7609 8.7609 8.9424 8.9424 9.1959 9.1959 9.2137 9.2137 11.3793 11.3793 k = 0.0000 0.0000 0.4670 ( 5015 PWs) bands (ev): -13.4620 -13.4620 -13.3317 -13.3317 -11.0024 -11.0024 -10.6810 -10.6810 -9.8454 -9.8454 -9.8289 -9.8289 -4.8887 -4.8887 -4.8704 -4.8704 -2.0872 -2.0872 -1.0450 -1.0450 -0.5784 -0.5784 -0.3118 -0.3118 0.0003 0.0003 0.3098 0.3098 1.0386 1.0386 1.1377 1.1377 2.1204 2.1204 2.1787 2.1787 3.0784 3.0784 3.1581 3.1581 3.6742 3.6742 3.7357 3.7357 3.9239 3.9239 4.0133 4.0133 8.7199 8.7199 8.9642 8.9642 9.2321 9.2321 9.2560 9.2560 11.3326 11.3326 k = 0.0000 0.0000 0.4497 ( 5009 PWs) bands (ev): -13.4791 -13.4791 -13.3169 -13.3169 -11.0359 -11.0359 -10.6346 -10.6346 -9.8499 -9.8499 -9.8294 -9.8294 -4.8763 -4.8763 -4.8533 -4.8533 -2.2227 -2.2227 -0.9354 -0.9354 -0.6133 -0.6133 -0.2836 -0.2836 -0.0167 -0.0167 0.3581 0.3581 1.0010 1.0010 1.1212 1.1212 2.1206 2.1206 2.1940 2.1940 3.0700 3.0700 3.1680 3.1680 3.6661 3.6661 3.7415 3.7415 3.9048 3.9048 4.0154 4.0154 8.6753 8.6753 8.9842 8.9842 9.2786 9.2786 9.3090 9.3090 11.2822 11.2822 k = 0.0000 0.0000 0.4324 ( 5017 PWs) bands (ev): -13.4963 -13.4963 -13.3026 -13.3026 -11.0677 -11.0677 -10.5870 -10.5870 -9.8548 -9.8548 -9.8304 -9.8304 -4.8610 -4.8610 -4.8330 -4.8330 -2.3575 -2.3575 -0.8380 -0.8380 -0.6476 -0.6476 -0.2575 -0.2575 -0.0226 -0.0226 0.4072 0.4072 0.9596 0.9596 1.0985 1.0985 2.1221 2.1221 2.2111 2.2111 3.0624 3.0624 3.1776 3.1776 3.6584 3.6584 3.7469 3.7469 3.8843 3.8843 4.0156 4.0156 8.6270 8.6270 9.0026 9.0026 9.3351 9.3351 9.3722 9.3722 11.2287 11.2287 k = 0.0000 0.0000 0.4151 ( 5021 PWs) bands (ev): -13.5133 -13.5133 -13.2887 -13.2887 -11.0981 -11.0981 -10.5384 -10.5384 -9.8602 -9.8602 -9.8320 -9.8320 -4.8427 -4.8427 -4.8096 -4.8096 -2.4914 -2.4914 -0.7589 -0.7589 -0.6793 -0.6793 -0.2339 -0.2339 -0.0138 -0.0138 0.4571 0.4571 0.9153 0.9153 1.0698 1.0698 2.1250 2.1250 2.2299 2.2299 3.0555 3.0555 3.1866 3.1866 3.6512 3.6512 3.7518 3.7518 3.8628 3.8628 4.0139 4.0139 8.5749 8.5749 9.0195 9.0195 9.4008 9.4008 9.4451 9.4451 11.1726 11.1726 k = 0.0000 0.0000 0.3978 ( 5019 PWs) bands (ev): -13.5303 -13.5303 -13.2754 -13.2754 -11.1269 -11.1269 -10.4889 -10.4889 -9.8659 -9.8659 -9.8339 -9.8339 -4.8218 -4.8218 -4.7832 -4.7832 -2.6239 -2.6239 -0.7295 -0.7295 -0.6804 -0.6804 -0.2134 -0.2134 0.0132 0.0132 0.5075 0.5075 0.8692 0.8692 1.0355 1.0355 2.1290 2.1290 2.2504 2.2504 3.0496 3.0496 3.1949 3.1949 3.6446 3.6446 3.7565 3.7565 3.8405 3.8405 4.0104 4.0104 8.5191 8.5191 9.0351 9.0351 9.4750 9.4750 9.5272 9.5272 11.1145 11.1145 k = 0.0000 0.0000 0.3805 ( 5023 PWs) bands (ev): -13.5470 -13.5470 -13.2626 -13.2626 -11.1543 -11.1543 -10.4385 -10.4385 -9.8720 -9.8720 -9.8364 -9.8364 -4.7982 -4.7982 -4.7540 -4.7540 -2.7547 -2.7547 -0.7573 -0.7573 -0.6452 -0.6452 -0.1971 -0.1971 0.0598 0.0598 0.5581 0.5581 0.8226 0.8226 0.9962 0.9962 2.1343 2.1343 2.2725 2.2725 3.0449 3.0449 3.2023 3.2023 3.6386 3.6386 3.7608 3.7608 3.8177 3.8177 4.0052 4.0052 8.4597 8.4597 9.0495 9.0495 9.5569 9.5569 9.6179 9.6179 11.0546 11.0546 k = 0.0000 0.0000 0.3632 ( 5025 PWs) bands (ev): -13.5636 -13.5636 -13.2503 -13.2503 -11.1801 -11.1801 -10.3875 -10.3875 -9.8783 -9.8783 -9.8392 -9.8392 -4.7723 -4.7723 -4.7222 -4.7222 -2.8835 -2.8835 -0.7900 -0.7900 -0.6241 -0.6241 -0.1860 -0.1860 0.1242 0.1242 0.6086 0.6086 0.7768 0.7768 0.9524 0.9524 2.1405 2.1405 2.2959 2.2959 3.0414 3.0414 3.2085 3.2085 3.6334 3.6334 3.7648 3.7648 3.7948 3.7948 3.9985 3.9985 8.3968 8.3968 9.0630 9.0630 9.6454 9.6454 9.7165 9.7165 10.9935 10.9935 k = 0.0000 0.0000 0.3459 ( 5025 PWs) bands (ev): -13.5798 -13.5798 -13.2386 -13.2386 -11.2045 -11.2045 -10.3360 -10.3360 -9.8848 -9.8848 -9.8423 -9.8423 -4.7441 -4.7441 -4.6878 -4.6878 -3.0099 -3.0099 -0.8229 -0.8229 -0.6174 -0.6174 -0.1813 -0.1813 0.2020 0.2020 0.6578 0.6578 0.7343 0.7343 0.9048 0.9048 2.1476 2.1476 2.3207 2.3207 3.0393 3.0393 3.2134 3.2134 3.6289 3.6289 3.7671 3.7671 3.7738 3.7738 3.9904 3.9904 8.3306 8.3306 9.0755 9.0755 9.7395 9.7395 9.8224 9.8224 10.9315 10.9315 k = 0.0000 0.0000 0.3286 ( 5019 PWs) bands (ev): -13.5957 -13.5957 -13.2275 -13.2275 -11.2275 -11.2275 -10.2842 -10.2842 -9.8915 -9.8915 -9.8457 -9.8457 -4.7140 -4.7140 -4.6512 -4.6512 -3.1337 -3.1337 -0.8554 -0.8554 -0.6211 -0.6211 -0.1838 -0.1838 0.2882 0.2882 0.6826 0.6826 0.7196 0.7196 0.8541 0.8541 2.1555 2.1555 2.3463 2.3463 3.0389 3.0389 3.2167 3.2167 3.6251 3.6251 3.7489 3.7489 3.7738 3.7738 3.9813 3.9813 8.2615 8.2615 9.0873 9.0873 9.8379 9.8379 9.9349 9.9349 10.8689 10.8689 k = 0.0000 0.0000 0.3114 ( 5017 PWs) bands (ev): -13.6111 -13.6111 -13.2169 -13.2169 -11.2490 -11.2490 -10.2322 -10.2322 -9.8983 -9.8983 -9.8494 -9.8494 -4.6821 -4.6821 -4.6125 -4.6125 -3.2545 -3.2545 -0.8875 -0.8875 -0.6316 -0.6316 -0.1944 -0.1944 0.3785 0.3785 0.6527 0.6527 0.7621 0.7621 0.8028 0.8028 2.1640 2.1640 2.3727 2.3727 3.0403 3.0403 3.2181 3.2181 3.6220 3.6220 3.7278 3.7278 3.7777 3.7777 3.9712 3.9712 8.1899 8.1899 9.0983 9.0983 9.9391 9.9391 10.0533 10.0533 10.8061 10.8061 k = 0.0000 0.0000 0.2941 ( 5029 PWs) bands (ev): -13.6261 -13.6261 -13.2069 -13.2069 -11.2692 -11.2692 -10.1804 -10.1804 -9.9051 -9.9051 -9.8532 -9.8532 -4.6489 -4.6489 -4.5721 -4.5721 -3.3720 -3.3720 -0.9190 -0.9190 -0.6462 -0.6462 -0.2137 -0.2137 0.4698 0.4698 0.6239 0.6239 0.7425 0.7425 0.8164 0.8164 2.1730 2.1730 2.3994 2.3994 3.0436 3.0436 3.2173 3.2173 3.6196 3.6196 3.7079 3.7079 3.7819 3.7819 3.9606 3.9606 8.1161 8.1161 9.1088 9.1088 10.0413 10.0413 10.1768 10.1768 10.7435 10.7435 k = 0.0000 0.0000 0.2768 ( 5037 PWs) bands (ev): -13.6406 -13.6406 -13.1975 -13.1975 -11.2880 -11.2880 -10.1290 -10.1290 -9.9119 -9.9119 -9.8572 -9.8572 -4.6144 -4.6144 -4.5301 -4.5301 -3.4858 -3.4858 -0.9497 -0.9497 -0.6633 -0.6633 -0.2415 -0.2415 0.5573 0.5573 0.6030 0.6030 0.6880 0.6880 0.8646 0.8646 2.1824 2.1824 2.4261 2.4261 3.0491 3.0491 3.2141 3.2141 3.6177 3.6177 3.6898 3.6898 3.7862 3.7862 3.9497 3.9497 8.0406 8.0406 9.1186 9.1186 10.1423 10.1423 10.3049 10.3049 10.6814 10.6814 k = 0.0000 0.0000 0.2595 ( 5045 PWs) bands (ev): -13.6544 -13.6544 -13.1887 -13.1887 -11.3055 -11.3055 -10.0783 -10.0783 -9.9185 -9.9185 -9.8612 -9.8612 -4.5791 -4.5791 -4.4870 -4.4870 -3.5956 -3.5956 -0.9797 -0.9797 -0.6817 -0.6817 -0.2773 -0.2773 0.5808 0.5808 0.6182 0.6182 0.6639 0.6639 0.9129 0.9129 2.1920 2.1920 2.4522 2.4522 3.0567 3.0567 3.2084 3.2084 3.6164 3.6164 3.6740 3.6740 3.7906 3.7906 3.9390 3.9390 7.9640 7.9640 9.1280 9.1280 10.2393 10.2393 10.4367 10.4367 10.6202 10.6202 k = 0.0000 0.0000 0.2422 ( 5043 PWs) bands (ev): -13.6677 -13.6677 -13.1805 -13.1805 -11.3218 -11.3218 -10.0285 -10.0285 -9.9250 -9.9250 -9.8653 -9.8653 -4.5433 -4.5433 -4.4431 -4.4431 -3.7009 -3.7009 -1.0088 -1.0088 -0.7005 -0.7005 -0.3200 -0.3200 0.5668 0.5668 0.5725 0.5725 0.7407 0.7407 0.9604 0.9604 2.2017 2.2017 2.4773 2.4773 3.0666 3.0666 3.2000 3.2000 3.6154 3.6154 3.6605 3.6605 3.7952 3.7952 3.9287 3.9287 7.8869 7.8869 9.1370 9.1370 10.3288 10.3288 10.5584 10.5584 10.5736 10.5736 k = 0.0000 0.0000 0.2249 ( 5053 PWs) bands (ev): -13.6802 -13.6802 -13.1728 -13.1728 -11.3367 -11.3367 -9.9802 -9.9802 -9.9311 -9.9311 -9.8693 -9.8693 -4.5073 -4.5073 -4.3988 -4.3988 -3.8015 -3.8015 -1.0370 -1.0370 -0.7191 -0.7191 -0.3682 -0.3682 0.5121 0.5121 0.5657 0.5657 0.8208 0.8208 1.0068 1.0068 2.2114 2.2114 2.5011 2.5011 3.0785 3.0785 3.1891 3.1891 3.6147 3.6147 3.6496 3.6496 3.7998 3.7998 3.9192 3.9192 7.8099 7.8099 9.1455 9.1455 10.4065 10.4065 10.5024 10.5024 10.7093 10.7093 k = 0.0000 0.0000 0.2076 ( 5059 PWs) bands (ev): -13.6920 -13.6920 -13.1658 -13.1658 -11.3505 -11.3505 -9.9408 -9.9408 -9.9297 -9.9297 -9.8731 -9.8731 -4.4715 -4.4715 -4.3544 -4.3544 -3.8970 -3.8970 -1.0642 -1.0642 -0.7373 -0.7373 -0.4204 -0.4204 0.4571 0.4571 0.5638 0.5638 0.8967 0.8967 1.0517 1.0517 2.2208 2.2208 2.5231 2.5231 3.0923 3.0923 3.1760 3.1760 3.6142 3.6142 3.6414 3.6414 3.8045 3.8045 3.9110 3.9110 7.7336 7.7336 9.1537 9.1537 10.4392 10.4392 10.4768 10.4768 10.8484 10.8484 k = 0.0000 0.0000 0.1903 ( 5043 PWs) bands (ev): -13.7031 -13.7031 -13.1593 -13.1593 -11.3630 -11.3630 -9.9441 -9.9441 -9.8887 -9.8887 -9.8753 -9.8753 -4.4363 -4.4363 -4.3105 -4.3105 -3.9868 -3.9868 -1.0902 -1.0902 -0.7546 -0.7546 -0.4747 -0.4747 0.4039 0.4039 0.5650 0.5650 0.9675 0.9675 1.0951 1.0951 2.2299 2.2299 2.5432 2.5432 3.1073 3.1073 3.1611 3.1611 3.6138 3.6138 3.6356 3.6356 3.8092 3.8092 3.9045 3.9045 7.6589 7.6589 9.1615 9.1615 10.3887 10.3887 10.5192 10.5192 10.9884 10.9884 k = 0.0000 0.0000 0.1730 ( 5041 PWs) bands (ev): -13.7133 -13.7133 -13.1534 -13.1534 -11.3743 -11.3743 -9.9494 -9.9494 -9.8816 -9.8816 -9.8432 -9.8432 -4.4021 -4.4021 -4.2676 -4.2676 -4.0707 -4.0707 -1.1150 -1.1150 -0.7710 -0.7710 -0.5299 -0.5299 0.3532 0.3532 0.5684 0.5684 1.0326 1.0326 1.1366 1.1366 2.2386 2.2386 2.5612 2.5612 3.1225 3.1225 3.1455 3.1455 3.6134 3.6134 3.6319 3.6319 3.8138 3.8138 3.9000 3.9000 7.5864 7.5864 9.1690 9.1690 10.3376 10.3376 10.5471 10.5471 11.1286 11.1286 k = 0.0000 0.0000 0.1557 ( 5033 PWs) bands (ev): -13.7226 -13.7226 -13.1481 -13.1481 -11.3845 -11.3845 -9.9544 -9.9544 -9.8848 -9.8848 -9.8032 -9.8032 -4.3695 -4.3695 -4.2264 -4.2264 -4.1481 -4.1481 -1.1383 -1.1383 -0.7861 -0.7861 -0.5842 -0.5842 0.3056 0.3056 0.5732 0.5732 1.0916 1.0916 1.1760 1.1760 2.2467 2.2467 2.5769 2.5769 3.1249 3.1249 3.1419 3.1419 3.6131 3.6131 3.6299 3.6299 3.8184 3.8184 3.8977 3.8977 7.5170 7.5170 9.1761 9.1761 10.2895 10.2895 10.5598 10.5598 11.2681 11.2681 k = 0.0000 0.0000 0.1384 ( 5041 PWs) bands (ev): -13.7311 -13.7311 -13.1434 -13.1434 -11.3936 -11.3936 -9.9591 -9.9591 -9.8879 -9.8879 -9.7659 -9.7659 -4.3387 -4.3387 -4.2195 -4.2195 -4.1863 -4.1863 -1.1600 -1.1600 -0.8000 -0.8000 -0.6366 -0.6366 0.2616 0.2616 0.5787 0.5787 1.1442 1.1442 1.2131 1.2131 2.2541 2.2541 2.5905 2.5905 3.1087 3.1087 3.1562 3.1562 3.6130 3.6130 3.6292 3.6292 3.8227 3.8227 3.8976 3.8976 7.4516 7.4516 9.1829 9.1829 10.2448 10.2448 10.5609 10.5609 11.4059 11.4059 k = 0.0000 0.0000 0.1211 ( 5041 PWs) bands (ev): -13.7386 -13.7386 -13.1392 -13.1392 -11.4015 -11.4015 -9.9633 -9.9633 -9.8908 -9.8908 -9.7319 -9.7319 -4.3105 -4.3105 -4.2824 -4.2824 -4.1500 -4.1500 -1.1800 -1.1800 -0.8126 -0.8126 -0.6857 -0.6857 0.2218 0.2218 0.5845 0.5845 1.1902 1.1902 1.2476 1.2476 2.2608 2.2608 2.6021 2.6021 3.0918 3.0918 3.1703 3.1703 3.6132 3.6132 3.6291 3.6291 3.8267 3.8267 3.8998 3.8998 7.3910 7.3910 9.1891 9.1891 10.2042 10.2042 10.5542 10.5542 11.5410 11.5410 k = 0.0000 0.0000 0.1038 ( 5037 PWs) bands (ev): -13.7452 -13.7452 -13.1356 -13.1356 -11.4084 -11.4084 -9.9670 -9.9670 -9.8934 -9.8934 -9.7016 -9.7016 -4.3389 -4.3389 -4.2842 -4.2842 -4.1167 -4.1167 -1.1979 -1.1979 -0.8239 -0.8239 -0.7304 -0.7304 0.1864 0.1864 0.5902 0.5902 1.2296 1.2296 1.2792 1.2792 2.2667 2.2667 2.6118 2.6118 3.0757 3.0757 3.1829 3.1829 3.6136 3.6136 3.6296 3.6296 3.8304 3.8304 3.9038 3.9038 7.3361 7.3361 9.1949 9.1949 10.1679 10.1679 10.5433 10.5433 11.6719 11.6719 k = 0.0000 0.0000 0.0865 ( 5035 PWs) bands (ev): -13.7508 -13.7508 -13.1326 -13.1326 -11.4142 -11.4142 -9.9702 -9.9702 -9.8956 -9.8956 -9.6752 -9.6752 -4.3869 -4.3869 -4.2617 -4.2617 -4.0872 -4.0872 -1.2137 -1.2137 -0.8341 -0.8341 -0.7694 -0.7694 0.1559 0.1559 0.5954 0.5954 1.2622 1.2622 1.3074 1.3074 2.2717 2.2717 2.6198 2.6198 3.0611 3.0611 3.1934 3.1934 3.6142 3.6142 3.6303 3.6303 3.8336 3.8336 3.9091 3.9091 7.2878 7.2878 9.2000 9.2000 10.1363 10.1363 10.5307 10.5307 11.7968 11.7968 k = 0.0000 0.0000 0.0692 ( 5033 PWs) bands (ev): -13.7555 -13.7555 -13.1301 -13.1301 -11.4189 -11.4189 -9.9728 -9.9728 -9.8975 -9.8975 -9.6532 -9.6532 -4.4266 -4.4266 -4.2426 -4.2426 -4.0621 -4.0621 -1.2269 -1.2269 -0.8436 -0.8436 -0.8015 -0.8015 0.1305 0.1305 0.6000 0.6000 1.2885 1.2885 1.3316 1.3316 2.2758 2.2758 2.6262 2.6262 3.0484 3.0484 3.2019 3.2019 3.6148 3.6148 3.6310 3.6310 3.8364 3.8364 3.9150 3.9150 7.2469 7.2469 9.2045 9.2045 10.1100 10.1100 10.5184 10.5184 11.9129 11.9129 k = 0.0000 0.0000 0.0519 ( 5033 PWs) bands (ev): -13.7591 -13.7591 -13.1282 -13.1282 -11.4225 -11.4225 -9.9749 -9.9749 -9.8989 -9.8989 -9.6358 -9.6358 -4.4579 -4.4579 -4.2274 -4.2274 -4.0420 -4.0420 -1.2375 -1.2375 -0.8538 -0.8538 -0.8245 -0.8245 0.1105 0.1105 0.6038 0.6038 1.3086 1.3086 1.3511 1.3511 2.2790 2.2790 2.6310 2.6310 3.0381 3.0381 3.2083 3.2083 3.6154 3.6154 3.6317 3.6317 3.8386 3.8386 3.9207 3.9207 7.2142 7.2142 9.2081 9.2081 10.0890 10.0890 10.5077 10.5077 12.0162 12.0162 k = 0.0000 0.0000 0.0346 ( 5037 PWs) bands (ev): -13.7617 -13.7617 -13.1268 -13.1268 -11.4251 -11.4251 -9.9764 -9.9764 -9.9000 -9.9000 -9.6232 -9.6232 -4.4804 -4.4804 -4.2164 -4.2164 -4.0272 -4.0272 -1.2452 -1.2452 -0.8650 -0.8650 -0.8374 -0.8374 0.0961 0.0961 0.6065 0.6065 1.3229 1.3229 1.3653 1.3653 2.2813 2.2813 2.6344 2.6344 3.0304 3.0304 3.2127 3.2127 3.6159 3.6159 3.6322 3.6322 3.8402 3.8402 3.9254 3.9254 7.1903 7.1903 9.2107 9.2107 10.0739 10.0739 10.4994 10.4994 12.0999 12.0999 k = 0.0000 0.0000 0.0173 ( 5041 PWs) bands (ev): -13.7632 -13.7632 -13.1259 -13.1259 -11.4267 -11.4267 -9.9773 -9.9773 -9.9006 -9.9006 -9.6155 -9.6155 -4.4940 -4.4940 -4.2096 -4.2096 -4.0183 -4.0183 -1.2499 -1.2499 -0.8739 -0.8739 -0.8432 -0.8432 0.0874 0.0874 0.6082 0.6082 1.3314 1.3314 1.3740 1.3740 2.2826 2.2826 2.6364 2.6364 3.0258 3.0258 3.2152 3.2152 3.6162 3.6162 3.6326 3.6326 3.8412 3.8412 3.9285 3.9285 7.1758 7.1758 9.2124 9.2124 10.0647 10.0647 10.4942 10.4942 12.1550 12.1550 k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -13.7637 -13.7637 -13.1257 -13.1257 -11.4272 -11.4272 -9.9776 -9.9776 -9.9008 -9.9008 -9.6130 -9.6130 -4.4986 -4.4986 -4.2074 -4.2074 -4.0153 -4.0153 -1.2515 -1.2515 -0.8772 -0.8772 -0.8448 -0.8448 0.0845 0.0845 0.6088 0.6088 1.3343 1.3343 1.3769 1.3769 2.2831 2.2831 2.6371 2.6371 3.0242 3.0242 3.2161 3.2161 3.6163 3.6163 3.6327 3.6327 3.8416 3.8416 3.9296 3.9296 7.1709 7.1709 9.2129 9.2129 10.0616 10.0616 10.4925 10.4925 12.1740 12.1740 k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -13.7637 -13.7637 -13.1257 -13.1257 -11.4272 -11.4272 -9.9776 -9.9776 -9.9008 -9.9008 -9.6130 -9.6130 -4.4986 -4.4986 -4.2074 -4.2074 -4.0153 -4.0153 -1.2515 -1.2515 -0.8772 -0.8772 -0.8448 -0.8448 0.0845 0.0845 0.6088 0.6088 1.3343 1.3343 1.3769 1.3769 2.2831 2.2831 2.6371 2.6371 3.0242 3.0242 3.2161 3.2161 3.6163 3.6163 3.6327 3.6327 3.8416 3.8416 3.9296 3.9296 7.1709 7.1709 9.2129 9.2129 10.0616 10.0616 10.4925 10.4925 12.1740 12.1740 k =-0.0147 0.0091 0.0000 ( 5047 PWs) bands (ev): -13.7630 -13.7630 -13.1258 -13.1257 -11.4289 -11.4288 -9.9777 -9.9773 -9.9010 -9.9005 -9.6134 -9.6123 -4.5014 -4.5009 -4.2054 -4.2047 -4.0126 -4.0110 -1.2531 -1.2510 -0.8775 -0.8774 -0.8441 -0.8433 0.0832 0.0837 0.6037 0.6072 1.3351 1.3360 1.3781 1.3783 2.2831 2.2837 2.6346 2.6359 3.0257 3.0261 3.2160 3.2162 3.6129 3.6141 3.6312 3.6314 3.8408 3.8409 3.9300 3.9304 7.1752 7.1754 9.2106 9.2145 10.0627 10.0632 10.4932 10.4957 12.1446 12.1649 k =-0.0294 0.0182 0.0000 ( 5041 PWs) bands (ev): -13.7609 -13.7609 -13.1260 -13.1258 -11.4340 -11.4337 -9.9774 -9.9768 -9.9011 -9.9001 -9.6137 -9.6115 -4.5091 -4.5081 -4.1989 -4.1975 -4.0032 -4.0000 -1.2557 -1.2516 -0.8788 -0.8784 -0.8406 -0.8397 0.0798 0.0809 0.5920 0.5988 1.3385 1.3404 1.3817 1.3821 2.2836 2.2848 2.6284 2.6309 3.0306 3.0313 3.2160 3.2164 3.6022 3.6046 3.6288 3.6292 3.8386 3.8389 3.9316 3.9323 7.1882 7.1886 9.2078 9.2156 10.0664 10.0675 10.4978 10.5026 12.0949 12.1187 k =-0.0441 0.0272 0.0000 ( 5031 PWs) bands (ev): -13.7573 -13.7573 -13.1263 -13.1260 -11.4423 -11.4419 -9.9770 -9.9760 -9.9010 -9.8996 -9.6138 -9.6105 -4.5211 -4.5198 -4.1878 -4.1857 -3.9876 -3.9830 -1.2593 -1.2533 -0.8819 -0.8803 -0.8338 -0.8333 0.0744 0.0759 0.5739 0.5841 1.3443 1.3473 1.3879 1.3883 2.2846 2.2863 2.6184 2.6223 3.0387 3.0398 3.2161 3.2167 3.5830 3.5864 3.6274 3.6279 3.8351 3.8356 3.9343 3.9354 7.2096 7.2103 9.2046 9.2161 10.0729 10.0744 10.5060 10.5130 12.0353 12.0579 k =-0.0588 0.0363 0.0000 ( 5027 PWs) bands (ev): -13.7523 -13.7523 -13.1268 -13.1262 -11.4538 -11.4533 -9.9763 -9.9750 -9.9008 -9.8989 -9.6137 -9.6094 -4.5364 -4.5349 -4.1722 -4.1694 -3.9667 -3.9609 -1.2638 -1.2559 -0.8868 -0.8837 -0.8239 -0.8236 0.0669 0.0688 0.5498 0.5631 1.3524 1.3567 1.3966 1.3969 2.2859 2.2881 2.6046 2.6097 3.0498 3.0512 3.2162 3.2170 3.5562 3.5603 3.6269 3.6273 3.8303 3.8309 3.9381 3.9393 7.2391 7.2399 9.2012 9.2162 10.0823 10.0841 10.5174 10.5264 11.9707 11.9915 k =-0.0735 0.0454 0.0000 ( 5021 PWs) bands (ev): -13.7459 -13.7459 -13.1273 -13.1266 -11.4684 -11.4678 -9.9753 -9.9738 -9.9005 -9.8981 -9.6135 -9.6081 -4.5543 -4.5527 -4.1522 -4.1487 -3.9414 -3.9344 -1.2692 -1.2595 -0.8936 -0.8887 -0.8112 -0.8100 0.0573 0.0597 0.5201 0.5365 1.3626 1.3682 1.4079 1.4079 2.2875 2.2900 2.5868 2.5933 3.0634 3.0652 3.2164 3.2174 3.5228 3.5276 3.6268 3.6272 3.8242 3.8250 3.9427 3.9442 7.2759 7.2769 9.1977 9.2161 10.0947 10.0967 10.5314 10.5422 11.9034 11.9223 k =-0.0882 0.0545 0.0000 ( 5021 PWs) bands (ev): -13.7381 -13.7381 -13.1279 -13.1271 -11.4860 -11.4854 -9.9742 -9.9724 -9.8999 -9.8971 -9.6132 -9.6068 -4.5739 -4.5723 -4.1279 -4.1237 -3.9125 -3.9046 -1.2753 -1.2639 -0.9019 -0.8953 -0.7953 -0.7934 0.0459 0.0486 0.4854 0.5046 1.3747 1.3819 1.4213 1.4217 2.2890 2.2918 2.5650 2.5728 3.0791 3.0812 3.2166 3.2179 3.4840 3.4892 3.6273 3.6276 3.8172 3.8181 3.9481 3.9497 7.3195 7.3206 9.1945 9.2160 10.1102 10.1123 10.5474 10.5596 11.8348 11.8518 k =-0.1029 0.0636 0.0000 ( 5013 PWs) bands (ev): -13.7290 -13.7289 -13.1286 -13.1277 -11.5064 -11.5057 -9.9730 -9.9709 -9.8991 -9.8958 -9.6128 -9.6055 -4.5946 -4.5932 -4.0994 -4.0946 -3.8807 -3.8719 -1.2820 -1.2691 -0.9115 -0.9033 -0.7765 -0.7739 0.0324 0.0354 0.4462 0.4681 1.3883 1.3973 1.4371 1.4381 2.2904 2.2933 2.5391 2.5482 3.0962 3.0985 3.2168 3.2184 3.4407 3.4463 3.6283 3.6285 3.8093 3.8103 3.9543 3.9559 7.3690 7.3703 9.1919 9.2163 10.1289 10.1310 10.5645 10.5779 11.7658 11.7810 k =-0.1176 0.0726 0.0000 ( 5021 PWs) bands (ev): -13.7185 -13.7184 -13.1294 -13.1284 -11.5296 -11.5288 -9.9716 -9.9693 -9.8981 -9.8944 -9.6125 -9.6043 -4.6158 -4.6146 -4.0669 -4.0614 -3.8466 -3.8370 -1.2891 -1.2748 -0.9225 -0.9127 -0.7548 -0.7516 0.0170 0.0203 0.4030 0.4274 1.4034 1.4142 1.4553 1.4570 2.2915 2.2944 2.5089 2.5193 3.1139 3.1166 3.2170 3.2189 3.3940 3.3998 3.6299 3.6300 3.8009 3.8020 3.9610 3.9628 7.4238 7.4251 9.1901 9.2170 10.1508 10.1528 10.5821 10.5963 11.6970 11.7107 k =-0.1324 0.0817 0.0000 ( 5017 PWs) bands (ev): -13.7066 -13.7066 -13.1302 -13.1292 -11.5552 -11.5543 -9.9702 -9.9677 -9.8968 -9.8927 -9.6122 -9.6031 -4.6372 -4.6362 -4.0306 -4.0244 -3.8107 -3.8004 -1.2967 -1.2810 -0.9344 -0.9232 -0.7304 -0.7268 -0.0003 0.0032 0.3564 0.3831 1.4196 1.4323 1.4759 1.4784 2.2922 2.2950 2.4744 2.4862 3.1316 3.1344 3.2170 3.2195 3.3450 3.3506 3.6321 3.6322 3.7926 3.7938 3.9683 3.9701 7.4830 7.4845 9.1894 9.2187 10.1759 10.1778 10.5992 10.6142 11.6290 11.6414 k =-0.1471 0.0908 0.0000 ( 5021 PWs) bands (ev): -13.6935 -13.6934 -13.1311 -13.1300 -11.5831 -11.5822 -9.9687 -9.9661 -9.8952 -9.8907 -9.6120 -9.6021 -4.6585 -4.6577 -3.9906 -3.9837 -3.7733 -3.7624 -1.3045 -1.2875 -0.9474 -0.9348 -0.7035 -0.6995 -0.0195 -0.0159 0.3070 0.3357 1.4369 1.4514 1.4989 1.5021 2.2924 2.2951 2.4357 2.4488 3.1482 3.1510 3.2164 3.2202 3.2950 3.2998 3.6347 3.6347 3.7850 3.7862 3.9760 3.9779 7.5459 7.5474 9.1900 9.2214 10.2042 10.2060 10.6151 10.6307 11.5624 11.5735 k =-0.1618 0.0999 0.0000 ( 5029 PWs) bands (ev): -13.6791 -13.6790 -13.1321 -13.1309 -11.6132 -11.6123 -9.9672 -9.9645 -9.8932 -9.8883 -9.6119 -9.6013 -4.6793 -4.6788 -3.9472 -3.9397 -3.7348 -3.7233 -1.3124 -1.2942 -0.9611 -0.9473 -0.6742 -0.6700 -0.0406 -0.0369 0.2551 0.2858 1.4548 1.4712 1.5242 1.5280 2.2921 2.2945 2.3928 2.4073 3.1629 3.1652 3.2124 3.2206 3.2481 3.2482 3.6370 3.6371 3.7794 3.7806 3.9841 3.9861 7.6118 7.6133 9.1922 9.2254 10.2356 10.2372 10.6292 10.6451 11.4975 11.5074 k =-0.1765 0.1089 0.0000 ( 5029 PWs) bands (ev): -13.6635 -13.6634 -13.1331 -13.1319 -11.6451 -11.6442 -9.9658 -9.9629 -9.8909 -9.8856 -9.6121 -9.6008 -4.6996 -4.6993 -3.9006 -3.8924 -3.6954 -3.6835 -1.3204 -1.3010 -0.9755 -0.9605 -0.6428 -0.6383 -0.0635 -0.0599 0.2014 0.2338 1.4734 1.4915 1.5517 1.5560 2.2912 2.2931 2.3464 2.3619 3.1700 3.1750 3.1899 3.1949 3.2224 3.2262 3.6378 3.6381 3.7773 3.7785 3.9926 3.9945 7.6800 7.6815 9.1963 9.2310 10.2700 10.2714 10.6406 10.6569 11.4345 11.4436 k =-0.1912 0.1180 0.0000 ( 5033 PWs) bands (ev): -13.6467 -13.6466 -13.1342 -13.1329 -11.6788 -11.6779 -9.9643 -9.9614 -9.8883 -9.8826 -9.6125 -9.6006 -4.7191 -4.7190 -3.8510 -3.8423 -3.6554 -3.6431 -1.3282 -1.3077 -0.9904 -0.9744 -0.6093 -0.6046 -0.0883 -0.0847 0.1463 0.1801 1.4922 1.5120 1.5811 1.5859 2.2864 2.2896 2.3012 2.3134 3.1301 3.1433 3.1839 3.1899 3.2229 3.2236 3.6358 3.6363 3.7805 3.7816 4.0013 4.0032 7.7498 7.7513 9.2022 9.2383 10.3073 10.3083 10.6490 10.6655 11.3739 11.3822 k =-0.2059 0.1271 0.0000 ( 5029 PWs) bands (ev): -13.6288 -13.6287 -13.1353 -13.1340 -11.7140 -11.7131 -9.9629 -9.9600 -9.8852 -9.8792 -9.6133 -9.6008 -4.7379 -4.7377 -3.7988 -3.7895 -3.6150 -3.6023 -1.3357 -1.3142 -1.0056 -0.9887 -0.5741 -0.5691 -0.1150 -0.1115 0.0901 0.1252 1.5111 1.5327 1.6124 1.6176 2.2403 2.2606 2.2888 2.2919 3.0803 3.0919 3.1893 3.1944 3.2234 3.2236 3.6301 3.6307 3.7899 3.7910 4.0101 4.0121 7.8206 7.8221 9.2103 9.2475 10.3470 10.3478 10.6538 10.6705 11.3158 11.3234 k =-0.2206 0.1362 0.0000 ( 5031 PWs) bands (ev): -13.6098 -13.6097 -13.1365 -13.1351 -11.7504 -11.7495 -9.9616 -9.9587 -9.8818 -9.8753 -9.6143 -9.6014 -4.7558 -4.7554 -3.7443 -3.7344 -3.5744 -3.5615 -1.3429 -1.3203 -1.0211 -1.0033 -0.5374 -0.5320 -0.1435 -0.1402 0.0334 0.0695 1.5295 1.5530 1.6453 1.6509 2.1851 2.2068 2.2863 2.2891 3.0302 3.0414 3.1911 3.1957 3.2236 3.2241 3.6206 3.6212 3.8056 3.8066 4.0190 4.0210 7.8919 7.8934 9.2207 9.2588 10.3888 10.3891 10.6551 10.6720 11.2605 11.2675 k =-0.2353 0.1453 0.0000 ( 5035 PWs) bands (ev): -13.5899 -13.5898 -13.1376 -13.1362 -11.7879 -11.7870 -9.9604 -9.9576 -9.8779 -9.8711 -9.6158 -9.6024 -4.7727 -4.7722 -3.6877 -3.6773 -3.5338 -3.5207 -1.3495 -1.3259 -1.0366 -1.0182 -0.4994 -0.4934 -0.1738 -0.1708 -0.0234 0.0133 1.5471 1.5726 1.6796 1.6857 2.1282 2.1516 2.2837 2.2863 2.9809 2.9918 3.1893 3.1936 3.2238 3.2245 3.6079 3.6087 3.8265 3.8275 4.0280 4.0300 7.9631 7.9647 9.2334 9.2723 10.4315 10.4318 10.6534 10.6702 11.2079 11.2146 k =-0.2500 0.1543 0.0000 ( 5035 PWs) bands (ev): -13.5690 -13.5689 -13.1387 -13.1374 -11.8262 -11.8253 -9.9593 -9.9565 -9.8736 -9.8664 -9.6177 -9.6039 -4.7886 -4.7879 -3.6295 -3.6186 -3.4934 -3.4801 -1.3554 -1.3309 -1.0520 -1.0330 -0.4605 -0.4537 -0.2059 -0.2033 -0.0799 -0.0430 1.5633 1.5909 1.7150 1.7216 2.0711 2.0963 2.2809 2.2833 2.9326 2.9433 3.1843 3.1882 3.2239 3.2246 3.5931 3.5938 3.8515 3.8525 4.0368 4.0388 8.0338 8.0354 9.2485 9.2880 10.4727 10.4743 10.6502 10.6666 11.1584 11.1647 k =-0.2647 0.1634 0.0000 ( 5029 PWs) bands (ev): -13.5474 -13.5473 -13.1399 -13.1385 -11.8650 -11.8642 -9.9583 -9.9556 -9.8689 -9.8614 -9.6200 -9.6059 -4.8034 -4.8025 -3.5700 -3.5587 -3.4534 -3.4401 -1.3605 -1.3350 -1.0672 -1.0477 -0.4216 -0.4131 -0.2395 -0.2377 -0.1354 -0.0989 1.5770 1.6069 1.7511 1.7586 2.0156 2.0425 2.2779 2.2803 2.8853 2.8958 3.1761 3.1797 3.2240 3.2247 3.5767 3.5775 3.8794 3.8803 4.0455 4.0475 8.1035 8.1051 9.2661 9.3060 10.5078 10.5121 10.6504 10.6649 11.1119 11.1180 k =-0.2794 0.1725 0.0000 ( 5021 PWs) bands (ev): -13.5250 -13.5249 -13.1410 -13.1397 -11.9042 -11.9034 -9.9574 -9.9548 -9.8638 -9.8559 -9.6227 -9.6084 -4.8170 -4.8161 -3.5096 -3.4980 -3.4139 -3.4007 -1.3645 -1.3381 -1.0819 -1.0621 -0.3842 -0.3719 -0.2739 -0.2738 -0.1889 -0.1542 1.5871 1.6192 1.7874 1.7963 1.9642 1.9921 2.2748 2.2771 2.8391 2.8495 3.1650 3.1684 3.2241 3.2248 3.5595 3.5602 3.9090 3.9100 4.0540 4.0559 8.1719 8.1734 9.2862 9.3265 10.5269 10.5364 10.6638 10.6740 11.0685 11.0744 k =-0.2941 0.1816 0.0000 ( 5019 PWs) bands (ev): -13.5021 -13.5020 -13.1421 -13.1408 -11.9434 -11.9427 -9.9566 -9.9541 -9.8582 -9.8500 -9.6260 -9.6115 -4.8296 -4.8286 -3.4489 -3.4370 -3.3752 -3.3621 -1.3674 -1.3401 -1.0960 -1.0761 -0.3566 -0.3318 -0.3105 -0.3043 -0.2371 -0.2084 1.5916 1.6252 1.8219 1.8343 1.9216 1.9477 2.2715 2.2740 2.7940 2.8043 3.1514 3.1545 3.2241 3.2248 3.5418 3.5425 3.9396 3.9406 4.0623 4.0641 8.2384 8.2399 9.3089 9.3494 10.5236 10.5386 10.6966 10.7023 11.0281 11.0339 k =-0.3088 0.1907 0.0000 ( 5015 PWs) bands (ev): -13.4788 -13.4787 -13.1432 -13.1419 -11.9825 -11.9817 -9.9559 -9.9535 -9.8523 -9.8438 -9.6296 -9.6150 -4.8412 -4.8401 -3.3882 -3.3762 -3.3373 -3.3247 -1.3689 -1.3408 -1.1094 -1.0896 -0.3682 -0.3527 -0.3224 -0.2900 -0.2592 -0.2584 1.5883 1.6215 1.8456 1.8708 1.9006 1.9135 2.2684 2.2709 2.7501 2.7602 3.1355 3.1384 3.2241 3.2248 3.5240 3.5247 3.9705 3.9715 4.0701 4.0719 8.3027 8.3041 9.3343 9.3748 10.5039 10.5223 10.7425 10.7460 10.9909 10.9965 k =-0.3235 0.1997 0.0000 ( 5023 PWs) bands (ev): -13.4553 -13.4552 -13.1442 -13.1430 -12.0210 -12.0203 -9.9553 -9.9531 -9.8461 -9.8373 -9.6337 -9.6191 -4.8516 -4.8505 -3.3281 -3.3166 -3.3002 -3.2885 -1.3689 -1.3401 -1.1218 -1.1023 -0.4050 -0.3938 -0.3607 -0.3155 -0.2442 -0.2342 1.5756 1.6054 1.8439 1.8801 1.9176 1.9188 2.2653 2.2680 2.7075 2.7174 3.1177 3.1204 3.2241 3.2248 3.5065 3.5071 4.0010 4.0020 4.0776 4.0793 8.3644 8.3658 9.3622 9.4027 10.4746 10.4951 10.7951 10.7976 10.9567 10.9623 k =-0.3382 0.2088 0.0000 ( 5023 PWs) bands (ev): -13.4317 -13.4316 -13.1452 -13.1441 -12.0588 -12.0582 -9.9548 -9.9528 -9.8395 -9.8304 -9.6382 -9.6236 -4.8611 -4.8599 -3.2695 -3.2679 -3.2549 -3.2535 -1.3672 -1.3378 -1.1333 -1.1143 -0.4469 -0.4363 -0.4061 -0.3647 -0.2039 -0.1979 1.5534 1.5775 1.8400 1.8683 1.9526 1.9538 2.2624 2.2653 2.6663 2.6760 3.0984 3.1009 3.2241 3.2248 3.4895 3.4900 4.0307 4.0316 4.0847 4.0862 8.4232 8.4246 9.3927 9.4331 10.4390 10.4611 10.8508 10.8526 10.9257 10.9315 k =-0.3529 0.2179 0.0000 ( 5015 PWs) bands (ev): -13.4083 -13.4082 -13.1461 -13.1450 -12.0954 -12.0949 -9.9544 -9.9525 -9.8326 -9.8234 -9.6430 -9.6286 -4.8695 -4.8684 -3.2336 -3.2224 -3.2107 -3.1988 -1.3637 -1.3337 -1.1436 -1.1254 -0.4905 -0.4800 -0.4510 -0.4124 -0.1642 -0.1599 1.5237 1.5417 1.8432 1.8641 1.9888 1.9914 2.2598 2.2629 2.6267 2.6361 3.0779 3.0801 3.2241 3.2247 3.4733 3.4737 4.0590 4.0598 4.0915 4.0927 8.4787 8.4800 9.4257 9.4660 10.3987 10.4222 10.8934 10.8952 10.9125 10.9182 k =-0.3676 0.2270 0.0000 ( 5015 PWs) bands (ev): -13.3853 -13.3853 -13.1470 -13.1460 -12.1306 -12.1301 -9.9541 -9.9523 -9.8255 -9.8161 -9.6482 -9.6340 -4.8769 -4.8759 -3.2020 -3.1911 -3.1564 -3.1444 -1.3582 -1.3280 -1.1525 -1.1355 -0.5348 -0.5242 -0.4940 -0.4578 -0.1258 -0.1225 1.4898 1.5026 1.8515 1.8664 2.0247 2.0282 2.2576 2.2611 2.5890 2.5980 3.0566 3.0586 3.2241 3.2247 3.4579 3.4583 4.0854 4.0856 4.0982 4.0988 8.5304 8.5316 9.4613 9.5013 10.3545 10.3794 10.8704 10.8745 10.9685 10.9718 k =-0.3824 0.2361 0.0000 ( 5015 PWs) bands (ev): -13.3632 -13.3631 -13.1478 -13.1468 -12.1639 -12.1635 -9.9538 -9.9522 -9.8183 -9.8089 -9.6535 -9.6398 -4.8835 -4.8825 -3.1729 -3.1627 -3.1047 -3.0931 -1.3507 -1.3205 -1.1601 -1.1446 -0.5790 -0.5686 -0.5343 -0.5004 -0.0894 -0.0867 1.4546 1.4634 1.8625 1.8729 2.0593 2.0636 2.2559 2.2599 2.5535 2.5619 3.0348 3.0366 3.2240 3.2246 3.4437 3.4440 4.1011 4.1031 4.1111 4.1128 8.5781 8.5792 9.4993 9.5389 10.3074 10.3335 10.8478 10.8519 11.0271 11.0303 k =-0.3971 0.2451 0.0000 ( 5016 PWs) bands (ev): -13.3421 -13.3421 -13.1485 -13.1476 -12.1950 -12.1946 -9.9535 -9.9522 -9.8110 -9.8016 -9.6590 -9.6458 -4.8891 -4.8882 -3.1462 -3.1370 -3.0566 -3.0457 -1.3413 -1.3113 -1.1661 -1.1525 -0.6228 -0.6127 -0.5712 -0.5398 -0.0555 -0.0531 1.4201 1.4260 1.8747 1.8816 2.0918 2.0967 2.2551 2.2596 2.5205 2.5283 3.0131 3.0147 3.2240 3.2245 3.4308 3.4311 4.1069 4.1083 4.1329 4.1342 8.6213 8.6223 9.5397 9.5788 10.2579 10.2852 10.8278 10.8316 11.0853 11.0887 k =-0.4118 0.2542 0.0000 ( 5012 PWs) bands (ev): -13.3226 -13.3225 -13.1491 -13.1483 -12.2233 -12.2229 -9.9533 -9.9521 -9.8037 -9.7946 -9.6645 -9.6520 -4.8939 -4.8931 -3.1223 -3.1142 -3.0130 -3.0030 -1.3302 -1.3009 -1.1706 -1.1592 -0.6654 -0.6556 -0.6040 -0.5756 -0.0245 -0.0225 1.3881 1.3919 1.8869 1.8914 2.1212 2.1266 2.2555 2.2604 2.4905 2.4976 2.9921 2.9934 3.2239 3.2243 3.4194 3.4195 4.1113 4.1125 4.1527 4.1537 8.6597 8.6606 9.5823 9.6209 10.2066 10.2350 10.8104 10.8139 11.1422 11.1457 k =-0.4265 0.2633 0.0000 ( 5000 PWs) bands (ev): -13.3050 -13.3049 -13.1496 -13.1490 -12.2484 -12.2481 -9.9532 -9.9522 -9.7967 -9.7880 -9.6697 -9.6582 -4.8979 -4.8972 -3.1015 -3.0945 -2.9744 -2.9656 -1.3176 -1.2898 -1.1735 -1.1646 -0.7058 -0.6966 -0.6322 -0.6073 0.0030 0.0047 1.3594 1.3618 1.8985 1.9012 2.1466 2.1522 2.2575 2.2627 2.4639 2.4701 2.9723 2.9734 3.2239 3.2242 3.4095 3.4096 4.1151 4.1161 4.1698 4.1707 8.6929 8.6937 9.6270 9.6649 10.1540 10.1835 10.7957 10.7988 11.1969 11.2006 k =-0.4412 0.2724 0.0000 ( 4992 PWs) bands (ev): -13.2898 -13.2897 -13.1500 -13.1495 -12.2698 -12.2696 -9.9530 -9.9522 -9.7900 -9.7821 -9.6744 -9.6642 -4.9011 -4.9005 -3.0839 -3.0782 -2.9416 -2.9342 -1.3042 -1.2790 -1.1749 -1.1686 -0.7426 -0.7342 -0.6553 -0.6345 0.0264 0.0278 1.3350 1.3364 1.9088 1.9104 2.1669 2.1723 2.2616 2.2666 2.4412 2.4465 2.9545 2.9554 3.2238 3.2241 3.4012 3.4013 4.1182 4.1190 4.1840 4.1847 8.7206 8.7213 9.6735 9.7107 10.1007 10.1310 10.7838 10.7863 11.2482 11.2520 k =-0.4559 0.2814 0.0000 ( 4990 PWs) bands (ev): -13.2773 -13.2773 -13.1503 -13.1499 -12.2871 -12.2869 -9.9529 -9.9523 -9.7839 -9.7772 -9.6782 -9.6699 -4.9035 -4.9030 -3.0698 -3.0655 -2.9152 -2.9094 -1.2910 -1.2696 -1.1749 -1.1710 -0.7742 -0.7671 -0.6730 -0.6568 0.0452 0.0463 1.3155 1.3162 1.9175 1.9182 2.1817 2.1863 2.2677 2.2719 2.4231 2.4272 2.9394 2.9401 3.2238 3.2240 3.3947 3.3948 4.1206 4.1212 4.1952 4.1958 8.7425 8.7431 9.7216 9.7577 10.0473 10.0783 10.7745 10.7764 11.2944 11.2981 k =-0.4706 0.2905 0.0000 ( 4992 PWs) bands (ev): -13.2681 -13.2681 -13.1505 -13.1502 -12.2998 -12.2997 -9.9528 -9.9524 -9.7787 -9.7738 -9.6809 -9.6748 -4.9052 -4.9049 -3.0594 -3.0565 -2.8956 -2.8917 -1.2790 -1.2632 -1.1741 -1.1720 -0.7986 -0.7933 -0.6850 -0.6739 0.0591 0.0598 1.3011 1.3015 1.9240 1.9243 2.1914 2.1946 2.2744 2.2774 2.4099 2.4127 2.9279 2.9284 3.2238 3.2239 3.3900 3.3901 4.1224 4.1228 4.2033 4.2037 8.7584 8.7588 9.7707 9.8052 9.9949 10.0260 10.7679 10.7692 11.3329 11.3360 k =-0.4853 0.2996 0.0000 ( 4996 PWs) bands (ev): -13.2625 -13.2625 -13.1506 -13.1505 -12.3075 -12.3075 -9.9527 -9.9525 -9.7747 -9.7721 -9.6819 -9.6787 -4.9062 -4.9060 -3.0528 -3.0513 -2.8833 -2.8813 -1.2693 -1.2609 -1.1730 -1.1721 -0.8137 -0.8109 -0.6911 -0.6854 0.0676 0.0680 1.2924 1.2926 1.9280 1.9281 2.1969 2.1985 2.2798 2.2813 2.4021 2.4035 2.9208 2.9210 3.2238 3.2238 3.3872 3.3872 4.1234 4.1236 4.2083 4.2085 8.7681 8.7682 9.8193 9.8489 9.9479 9.9757 10.7641 10.7648 11.3599 11.3617 k =-0.5000 0.3087 0.0000 ( 5000 PWs) bands (ev): -13.2605 -13.2605 -13.1506 -13.1506 -12.3101 -12.3101 -9.9526 -9.9526 -9.7725 -9.7725 -9.6812 -9.6812 -4.9064 -4.9064 -3.0501 -3.0501 -2.8785 -2.8785 -1.2631 -1.2631 -1.1722 -1.1722 -0.8180 -0.8180 -0.6912 -0.6912 0.0706 0.0706 1.2896 1.2896 1.9294 1.9294 2.1992 2.1992 2.2823 2.2823 2.3999 2.3999 2.9184 2.9184 3.2238 3.2238 3.3863 3.3863 4.1239 4.1239 4.2100 4.2100 8.7713 8.7713 9.8591 9.8591 9.9359 9.9359 10.7630 10.7630 11.3704 11.3704 k =-0.5000 0.3087 0.0000 ( 5000 PWs) bands (ev): -13.2605 -13.2605 -13.1506 -13.1506 -12.3101 -12.3101 -9.9526 -9.9526 -9.7725 -9.7725 -9.6812 -9.6812 -4.9064 -4.9064 -3.0501 -3.0501 -2.8785 -2.8785 -1.2631 -1.2631 -1.1722 -1.1722 -0.8180 -0.8180 -0.6912 -0.6912 0.0706 0.0706 1.2896 1.2896 1.9294 1.9294 2.1992 2.1992 2.2823 2.2823 2.3999 2.3999 2.9184 2.9184 3.2238 3.2238 3.3863 3.3863 4.1239 4.1239 4.2100 4.2100 8.7713 8.7713 9.8591 9.8591 9.9359 9.9359 10.7630 10.7630 11.3704 11.3704 k =-0.4909 0.3234-0.0000 ( 4996 PWs) bands (ev): -13.2608 -13.2608 -13.1507 -13.1506 -12.3092 -12.3091 -9.9666 -9.9578 -9.7693 -9.7589 -9.6811 -9.6801 -4.9062 -4.9060 -3.0692 -3.0669 -2.8595 -2.8552 -1.3112 -1.2490 -1.1854 -1.1233 -0.8201 -0.8189 -0.6987 -0.6941 0.0743 0.0756 1.2904 1.2908 1.9258 1.9278 2.1996 2.1998 2.2791 2.2836 2.3975 2.3989 2.9192 2.9213 3.2223 3.2226 3.3882 3.3888 4.1192 4.1203 4.2106 4.2123 8.7737 8.7740 9.8600 9.8618 9.9330 9.9366 10.7621 10.7632 11.3647 11.3725 k =-0.4818 0.3382-0.0000 ( 5002 PWs) bands (ev): -13.2617 -13.2615 -13.1509 -13.1508 -12.3062 -12.3060 -9.9942 -9.9803 -9.7515 -9.7344 -9.6798 -9.6778 -4.9051 -4.9048 -3.1087 -3.1059 -2.8120 -2.8054 -1.3618 -1.2910 -1.1409 -1.0702 -0.8254 -0.8229 -0.7161 -0.7071 0.0863 0.0887 1.2934 1.2942 1.9171 1.9209 2.2012 2.2016 2.2741 2.2830 2.3917 2.3943 2.9236 2.9279 3.2183 3.2188 3.3945 3.3958 4.1074 4.1092 4.2134 4.2164 8.7810 8.7817 9.8641 9.8680 9.9278 9.9352 10.7603 10.7626 11.3556 11.3710 k =-0.4727 0.3529-0.0000 ( 4990 PWs) bands (ev): -13.2630 -13.2628 -13.1512 -13.1511 -12.3013 -12.3010 -10.0293 -10.0131 -9.7260 -9.7052 -9.6772 -9.6742 -4.9033 -4.9028 -3.1539 -3.1514 -2.7520 -2.7438 -1.4118 -1.3395 -1.0883 -1.0159 -0.8339 -0.8299 -0.7422 -0.7291 0.1056 0.1088 1.2984 1.2996 1.9033 1.9089 2.2039 2.2045 2.2674 2.2804 2.3830 2.3867 2.9314 2.9376 3.2122 3.2130 3.4047 3.4065 4.0906 4.0926 4.2166 4.2205 8.7932 8.7943 9.8709 9.8777 9.9204 9.9324 10.7578 10.7611 11.3436 11.3660 k =-0.4636 0.3676-0.0000 ( 4986 PWs) bands (ev): -13.2649 -13.2646 -13.1516 -13.1515 -12.2943 -12.2940 -10.0685 -10.0516 -9.6983 -9.6769 -9.6725 -9.6668 -4.9008 -4.9001 -3.1994 -3.1975 -2.6852 -2.6758 -1.4605 -1.3875 -1.0349 -0.9612 -0.8457 -0.8398 -0.7754 -0.7584 0.1308 0.1344 1.3056 1.3072 1.8847 1.8917 2.2076 2.2084 2.2587 2.2757 2.3716 2.3763 2.9422 2.9501 3.2047 3.2058 3.4182 3.4206 4.0702 4.0721 4.2187 4.2231 8.8104 8.8118 9.8785 9.8894 9.9124 9.9301 10.7545 10.7588 11.3292 11.3578 k =-0.4545 0.3824-0.0000 ( 4994 PWs) bands (ev): -13.2674 -13.2670 -13.1521 -13.1519 -12.2854 -12.2850 -10.1102 -10.0932 -9.6764 -9.6661 -9.6603 -9.6408 -4.8977 -4.8968 -3.2437 -3.2424 -2.6139 -2.6032 -1.5073 -1.4341 -0.9827 -0.9067 -0.8611 -0.8519 -0.8135 -0.7931 0.1602 0.1640 1.3148 1.3168 1.8614 1.8697 2.2123 2.2134 2.2483 2.2687 2.3583 2.3636 2.9554 2.9649 3.1962 3.1975 3.4345 3.4374 4.0473 4.0489 4.2190 4.2236 8.8323 8.8341 9.8821 9.8904 9.9165 9.9328 10.7504 10.7556 11.3128 11.3468 k =-0.4454 0.3971-0.0000 ( 4994 PWs) bands (ev): -13.2705 -13.2700 -13.1526 -13.1524 -12.2745 -12.2740 -10.1535 -10.1367 -9.6672 -9.6591 -9.6347 -9.6108 -4.8938 -4.8927 -3.2860 -3.2854 -2.5389 -2.5269 -1.5520 -1.4786 -0.9375 -0.8833 -0.8625 -0.8623 -0.8424 -0.8300 0.1925 0.1962 1.3261 1.3285 1.8338 1.8431 2.2176 2.2193 2.2362 2.2594 2.3435 2.3493 2.9704 2.9813 3.1872 3.1887 3.4531 3.4565 4.0225 4.0237 4.2169 4.2217 8.8588 8.8611 9.8768 9.8770 9.9365 9.9456 10.7455 10.7514 11.2950 11.3336 k =-0.4363 0.4119-0.0000 ( 4994 PWs) bands (ev): -13.2742 -13.2737 -13.1532 -13.1529 -12.2616 -12.2610 -10.1979 -10.1815 -9.6599 -9.6515 -9.6073 -9.5818 -4.8893 -4.8881 -3.3262 -3.3262 -2.4608 -2.4475 -1.5940 -1.5206 -0.9252 -0.9177 -0.8894 -0.8736 -0.8403 -0.7940 0.2263 0.2298 1.3393 1.3423 1.8020 1.8120 2.2176 2.2261 2.2283 2.2477 2.3278 2.3339 2.9868 2.9989 3.1778 3.1796 3.4738 3.4776 3.9965 3.9972 4.2124 4.2172 8.8899 8.8926 9.8587 9.8642 9.9626 9.9671 10.7398 10.7463 11.2762 11.3185 k =-0.4272 0.4266-0.0000 ( 5004 PWs) bands (ev): -13.2785 -13.2780 -13.1537 -13.1534 -12.2468 -12.2460 -10.2429 -10.2269 -9.6522 -9.6429 -9.5809 -9.5544 -4.8842 -4.8829 -3.3649 -3.3643 -2.3800 -2.3653 -1.6329 -1.5597 -0.9643 -0.9526 -0.9161 -0.9042 -0.7972 -0.7396 0.2607 0.2639 1.3546 1.3580 1.7663 1.7770 2.2025 2.2325 2.2342 2.2345 2.3119 2.3178 3.0042 3.0172 3.1683 3.1703 3.4962 3.5005 3.9696 3.9698 4.2054 4.2101 8.9254 8.9286 9.8373 9.8463 9.9933 9.9950 10.7331 10.7400 11.2569 11.3021 k =-0.4181 0.4414-0.0000 ( 5006 PWs) bands (ev): -13.2835 -13.2829 -13.1541 -13.1539 -12.2300 -12.2291 -10.2883 -10.2729 -9.6436 -9.6333 -9.5561 -9.5288 -4.8786 -4.8771 -3.4016 -3.4004 -2.2970 -2.2807 -1.6682 -1.5954 -1.0151 -0.9951 -0.9437 -0.9334 -0.7455 -0.6851 0.2946 0.2974 1.3718 1.3757 1.7271 1.7382 2.1835 2.2166 2.2412 2.2425 2.2966 2.3015 3.0220 3.0360 3.1588 3.1610 3.5203 3.5250 3.9420 3.9422 4.1960 4.2005 8.9651 8.9688 9.8130 9.8244 10.0281 10.0286 10.7255 10.7326 11.2375 11.2848 k =-0.4090 0.4561-0.0000 ( 5006 PWs) bands (ev): -13.2892 -13.2886 -13.1545 -13.1543 -12.2112 -12.2103 -10.3339 -10.3190 -9.6341 -9.6229 -9.5332 -9.5052 -4.8725 -4.8709 -3.4363 -3.4347 -2.2124 -2.1942 -1.6991 -1.6271 -1.0676 -1.0429 -0.9737 -0.9635 -0.6922 -0.6310 0.3273 0.3297 1.3907 1.3952 1.6848 1.6963 2.1620 2.1973 2.2472 2.2514 2.2838 2.2857 3.0399 3.0547 3.1495 3.1520 3.5457 3.5508 3.9141 3.9148 4.1844 4.1887 9.0088 9.0130 9.7858 9.7989 10.0661 10.0683 10.7168 10.7240 11.2180 11.2668 k =-0.3999 0.4708-0.0000 ( 4998 PWs) bands (ev): -13.2957 -13.2950 -13.1548 -13.1545 -12.1905 -12.1895 -10.3794 -10.3652 -9.6238 -9.6116 -9.5121 -9.4836 -4.8659 -4.8642 -3.4695 -3.4674 -2.1275 -2.1066 -1.7243 -1.6539 -1.1209 -1.0928 -1.0065 -0.9958 -0.6386 -0.5773 0.3581 0.3602 1.4114 1.4165 1.6398 1.6516 2.1381 2.1754 2.2464 2.2577 2.2736 2.2791 3.0576 3.0733 3.1404 3.1433 3.5724 3.5777 3.8865 3.8876 4.1707 4.1748 9.0563 9.0611 9.7557 9.7702 10.1086 10.1124 10.7069 10.7140 11.1988 11.2480 k =-0.3908 0.4856-0.0000 ( 5000 PWs) bands (ev): -13.3028 -13.3021 -13.1550 -13.1547 -12.1679 -12.1667 -10.4248 -10.4112 -9.6128 -9.5995 -9.4932 -9.4642 -4.8591 -4.8573 -3.5012 -3.4987 -2.0445 -2.0195 -1.7414 -1.6740 -1.1743 -1.1434 -1.0421 -1.0307 -0.5851 -0.5241 0.3864 0.3882 1.4333 1.4393 1.5928 1.6051 2.1118 2.1509 2.2368 2.2496 2.2774 2.2845 3.0744 3.0912 3.1318 3.1354 3.6000 3.6055 3.8594 3.8610 4.1553 4.1590 9.1073 9.1128 9.7227 9.7382 10.1558 10.1611 10.6957 10.7025 11.1794 11.2263 k =-0.3817 0.5003-0.0000 ( 5004 PWs) bands (ev): -13.3107 -13.3100 -13.1550 -13.1548 -12.1434 -12.1421 -10.4699 -10.4568 -9.6009 -9.5867 -9.4763 -9.4470 -4.8519 -4.8500 -3.5319 -3.5289 -1.9693 -1.9364 -1.7444 -1.6839 -1.2274 -1.1941 -1.0805 -1.0685 -0.5318 -0.4714 0.4115 0.4132 1.4553 1.4624 1.5454 1.5584 2.0831 2.1238 2.2242 2.2360 2.2881 2.2945 3.0893 3.1068 3.1253 3.1294 3.6284 3.6341 3.8331 3.8350 4.1384 4.1418 9.1618 9.1679 9.6868 9.7030 10.2074 10.2141 10.6829 10.6894 11.1589 11.1931 k =-0.3726 0.5151-0.0000 ( 5026 PWs) bands (ev): -13.3192 -13.3185 -13.1549 -13.1547 -12.1170 -12.1156 -10.5146 -10.5020 -9.5884 -9.5732 -9.4615 -9.4319 -4.8445 -4.8426 -3.5617 -3.5583 -1.9143 -1.8666 -1.7210 -1.6741 -1.2798 -1.2442 -1.1218 -1.1091 -0.4789 -0.4192 0.4327 0.4344 1.4687 1.4731 1.5108 1.5208 2.0521 2.0942 2.2114 2.2227 2.3002 2.3062 3.0982 3.1098 3.1291 3.1312 3.6574 3.6632 3.8077 3.8100 4.1203 4.1233 9.2194 9.2261 9.6482 9.6648 10.2635 10.2716 10.6685 10.6746 11.1324 11.1476 k =-0.3635 0.5298-0.0000 ( 5022 PWs) bands (ev): -13.3285 -13.3278 -13.1547 -13.1545 -12.0888 -12.0872 -10.5587 -10.5467 -9.5753 -9.5590 -9.4488 -9.4190 -4.8371 -4.8351 -3.5909 -3.5872 -1.8875 -1.8244 -1.6631 -1.6304 -1.3309 -1.2935 -1.1659 -1.1526 -0.4264 -0.3674 0.4495 0.4515 1.4345 1.4413 1.5250 1.5264 2.0188 2.0622 2.1995 2.2104 2.3129 2.3188 3.0978 3.1033 3.1381 3.1464 3.6867 3.6926 3.7835 3.7861 4.1013 4.1038 9.2799 9.2873 9.6069 9.6237 10.3239 10.3333 10.6523 10.6579 11.0926 11.0983 k =-0.3544 0.5445-0.0000 ( 5034 PWs) bands (ev): -13.3384 -13.3377 -13.1543 -13.1541 -12.0587 -12.0569 -10.6021 -10.5907 -9.5616 -9.5444 -9.4382 -9.4082 -4.8296 -4.8275 -3.6198 -3.6157 -1.8780 -1.8074 -1.5822 -1.5552 -1.3802 -1.3415 -1.2126 -1.1989 -0.3743 -0.3161 0.4612 0.4636 1.3850 1.3945 1.5503 1.5545 1.9834 2.0279 2.1888 2.1994 2.3262 2.3321 3.0925 3.0959 3.1516 3.1621 3.7160 3.7220 3.7605 3.7634 4.0816 4.0838 9.3431 9.3512 9.5629 9.5798 10.3883 10.3990 10.6343 10.6393 11.0440 11.0475 k =-0.3453 0.5593-0.0000 ( 5022 PWs) bands (ev): -13.3490 -13.3482 -13.1539 -13.1537 -12.0267 -12.0248 -10.6448 -10.6339 -9.5475 -9.5293 -9.4295 -9.3995 -4.8221 -4.8200 -3.6486 -3.6442 -1.8732 -1.8002 -1.4947 -1.4640 -1.4237 -1.3879 -1.2619 -1.2479 -0.3224 -0.2652 0.4672 0.4703 1.3351 1.3459 1.5798 1.5852 1.9458 1.9913 2.1795 2.1899 2.3397 2.3456 3.0861 3.0887 3.1660 3.1775 3.7384 3.7415 3.7459 3.7517 4.0616 4.0634 9.4087 9.4176 9.5164 9.5331 10.4564 10.4684 10.6146 10.6190 10.9926 10.9961 k =-0.3453 0.5593-0.0000 ( 5022 PWs) bands (ev): -13.3490 -13.3482 -13.1539 -13.1537 -12.0267 -12.0248 -10.6448 -10.6339 -9.5475 -9.5293 -9.4295 -9.3995 -4.8221 -4.8200 -3.6486 -3.6442 -1.8732 -1.8002 -1.4947 -1.4640 -1.4237 -1.3879 -1.2619 -1.2479 -0.3224 -0.2652 0.4672 0.4703 1.3351 1.3459 1.5798 1.5852 1.9458 1.9913 2.1795 2.1899 2.3397 2.3456 3.0861 3.0887 3.1660 3.1775 3.7384 3.7415 3.7459 3.7517 4.0616 4.0634 9.4087 9.4176 9.5164 9.5331 10.4564 10.4684 10.6146 10.6190 10.9926 10.9961 k =-0.3453 0.5593 0.0173 ( 5032 PWs) bands (ev): -13.3488 -13.3480 -13.1539 -13.1537 -12.0257 -12.0238 -10.6443 -10.6333 -9.5503 -9.5322 -9.4306 -9.4006 -4.8185 -4.8165 -3.6496 -3.6451 -1.8691 -1.7964 -1.4999 -1.4704 -1.4231 -1.3866 -1.2634 -1.2492 -0.3165 -0.2598 0.4678 0.4709 1.3331 1.3435 1.5800 1.5855 1.9460 1.9910 2.1750 2.1848 2.3443 2.3498 3.0842 3.0870 3.1683 3.1795 3.7380 3.7411 3.7461 3.7519 4.0609 4.0627 9.4071 9.4158 9.5145 9.5312 10.4566 10.4688 10.5994 10.6034 11.0062 11.0104 k =-0.3453 0.5593 0.0346 ( 5032 PWs) bands (ev): -13.3482 -13.3475 -13.1541 -13.1539 -12.0225 -12.0206 -10.6427 -10.6318 -9.5589 -9.5408 -9.4338 -9.4040 -4.8076 -4.8058 -3.6525 -3.6480 -1.8572 -1.7852 -1.5157 -1.4889 -1.4208 -1.3830 -1.2677 -1.2532 -0.2993 -0.2442 0.4696 0.4726 1.3271 1.3366 1.5809 1.5864 1.9466 1.9900 2.1628 2.1714 2.3568 2.3610 3.0790 3.0822 3.1744 3.1851 3.7369 3.7400 3.7468 3.7526 4.0589 4.0606 9.4025 9.4105 9.5087 9.5254 10.4568 10.4696 10.5600 10.5630 11.0415 11.0471 k =-0.3453 0.5593 0.0519 ( 5024 PWs) bands (ev): -13.3472 -13.3465 -13.1544 -13.1542 -12.0172 -12.0154 -10.6400 -10.6291 -9.5729 -9.5551 -9.4392 -9.4096 -4.7896 -4.7881 -3.6571 -3.6527 -1.8381 -1.7678 -1.5414 -1.5170 -1.4161 -1.3778 -1.2746 -1.2592 -0.2720 -0.2194 0.4727 0.4755 1.3174 1.3252 1.5822 1.5878 1.9472 1.9882 2.1451 2.1524 2.3742 2.3772 3.0718 3.0753 3.1833 3.1934 3.7351 3.7380 3.7480 3.7538 4.0554 4.0571 9.3955 9.4024 9.4991 9.5159 10.4540 10.4674 10.5096 10.5120 11.0883 11.0958 k =-0.3453 0.5593 0.0692 ( 5024 PWs) bands (ev): -13.3459 -13.3451 -13.1548 -13.1546 -12.0099 -12.0081 -10.6362 -10.6255 -9.5925 -9.5749 -9.4466 -9.4174 -4.7647 -4.7636 -3.6633 -3.6587 -1.8138 -1.7473 -1.5744 -1.5503 -1.4095 -1.3722 -1.2830 -1.2658 -0.2365 -0.1869 0.4770 0.4796 1.3040 1.3097 1.5841 1.5896 1.9476 1.9853 2.1242 2.1303 2.3943 2.3962 3.0634 3.0673 3.1938 3.2034 3.7324 3.7353 3.7496 3.7552 4.0506 4.0522 9.3867 9.3921 9.4856 9.5025 10.4254 10.4324 10.4788 10.4879 11.1393 11.1484 k =-0.3453 0.5593 0.0865 ( 5018 PWs) bands (ev): -13.3441 -13.3434 -13.1553 -13.1551 -12.0004 -11.9986 -10.6313 -10.6207 -9.6172 -9.6000 -9.4562 -9.4274 -4.7331 -4.7325 -3.6705 -3.6660 -1.7894 -1.7329 -1.6083 -1.5781 -1.4030 -1.3692 -1.2911 -1.2702 -0.1948 -0.1485 0.4825 0.4849 1.2872 1.2906 1.5862 1.5917 1.9472 1.9810 2.1015 2.1065 2.4159 2.4168 3.0547 3.0587 3.2054 3.2145 3.7290 3.7318 3.7515 3.7569 4.0444 4.0460 9.3771 9.3807 9.4684 9.4853 10.3657 10.3698 10.4772 10.4899 11.1908 11.2006 k =-0.3453 0.5593 0.1038 ( 5012 PWs) bands (ev): -13.3420 -13.3413 -13.1559 -13.1558 -11.9888 -11.9871 -10.6254 -10.6149 -9.6468 -9.6301 -9.4677 -9.4394 -4.6951 -4.6951 -3.6784 -3.6739 -1.7794 -1.7438 -1.6275 -1.5800 -1.4001 -1.3727 -1.2953 -1.2681 -0.1487 -0.1058 0.4893 0.4913 1.2674 1.2682 1.5886 1.5940 1.9456 1.9750 2.0779 2.0821 2.4382 2.4384 3.0459 3.0500 3.2175 3.2261 3.7248 3.7274 3.7534 3.7587 4.0369 4.0384 9.3677 9.3693 9.4473 9.4642 10.3010 10.3044 10.4816 10.4959 11.2405 11.2492 k =-0.3453 0.5593 0.1211 ( 5013 PWs) bands (ev): -13.3396 -13.3388 -13.1567 -13.1565 -11.9752 -11.9735 -10.6184 -10.6081 -9.6810 -9.6648 -9.4812 -9.4535 -4.6518 -4.6511 -3.6866 -3.6822 -1.8027 -1.7851 -1.6122 -1.5498 -1.4055 -1.3856 -1.2908 -1.2571 -0.0998 -0.0604 0.4973 0.4990 1.2429 1.2449 1.5910 1.5962 1.9423 1.9668 2.0543 2.0577 2.4606 2.4610 3.0373 3.0414 3.2300 3.2381 3.7198 3.7224 3.7554 3.7604 4.0281 4.0295 9.3589 9.3594 9.4225 9.4392 10.2371 10.2403 10.4882 10.5037 11.2856 11.2921 k =-0.3453 0.5593 0.1384 ( 5015 PWs) bands (ev): -13.3368 -13.3360 -13.1576 -13.1574 -11.9595 -11.9579 -10.6102 -10.6001 -9.7196 -9.7039 -9.4966 -9.4696 -4.6030 -4.6015 -3.6947 -3.6904 -1.8518 -1.8427 -1.5695 -1.5009 -1.4207 -1.4068 -1.2760 -1.2378 -0.0495 -0.0134 0.5066 0.5077 1.2152 1.2199 1.5930 1.5980 1.9367 1.9561 2.0312 2.0338 2.4831 2.4840 3.0291 3.0331 3.2424 3.2501 3.7142 3.7166 3.7570 3.7619 4.0179 4.0192 9.3505 9.3529 9.3945 9.4107 10.1760 10.1794 10.4964 10.5128 11.3233 11.3272 k =-0.3453 0.5593 0.1557 ( 5015 PWs) bands (ev): -13.3337 -13.3329 -13.1586 -13.1585 -11.9417 -11.9402 -10.6010 -10.5912 -9.7620 -9.7469 -9.5138 -9.4875 -4.5490 -4.5467 -3.7022 -3.6982 -1.9125 -1.9079 -1.5153 -1.4422 -1.4417 -1.4340 -1.2528 -1.2121 0.0011 0.0339 0.5170 0.5177 1.1855 1.1928 1.5943 1.5990 1.9286 1.9426 2.0092 2.0110 2.5058 2.5071 3.0214 3.0253 3.2548 3.2620 3.7080 3.7101 3.7582 3.7628 4.0065 4.0077 9.3450 9.3476 9.3651 9.3787 10.1188 10.1225 10.5058 10.5231 11.3509 11.3527 k =-0.3453 0.5593 0.1730 ( 5015 PWs) bands (ev): -13.3302 -13.3294 -13.1597 -13.1597 -11.9218 -11.9204 -10.5907 -10.5811 -9.8081 -9.7936 -9.5327 -9.5073 -4.4903 -4.4872 -3.7088 -3.7051 -1.9787 -1.9771 -1.4881 -1.4673 -1.4334 -1.3753 -1.2232 -1.1814 0.0511 0.0806 0.5287 0.5288 1.1539 1.1638 1.5946 1.5989 1.9176 1.9260 1.9887 1.9897 2.5288 2.5304 3.0142 3.0179 3.2670 3.2738 3.7012 3.7031 3.7587 3.7630 3.9940 3.9949 9.3249 9.3404 9.3466 9.3539 10.0665 10.0704 10.5164 10.5344 11.3665 11.3670 k =-0.3453 0.5593 0.1903 ( 5013 PWs) bands (ev): -13.3265 -13.3257 -13.1610 -13.1610 -11.8999 -11.8986 -10.5794 -10.5700 -9.8574 -9.8434 -9.5533 -9.5287 -4.4273 -4.4233 -3.7142 -3.7107 -2.0486 -2.0480 -1.5169 -1.5044 -1.3680 -1.3035 -1.1886 -1.1464 0.0998 0.1262 0.5411 0.5416 1.1209 1.1331 1.5934 1.5972 1.9034 1.9062 1.9700 1.9702 2.5520 2.5539 3.0077 3.0112 3.2789 3.2852 3.6940 3.6955 3.7583 3.7624 3.9803 3.9811 9.2894 9.3057 9.3467 9.3580 10.0192 10.0234 10.5279 10.5466 11.3689 11.3691 k =-0.3453 0.5593 0.2076 ( 5013 PWs) bands (ev): -13.3225 -13.3217 -13.1625 -13.1625 -11.8760 -11.8748 -10.5669 -10.5579 -9.9095 -9.8962 -9.5753 -9.5517 -4.3604 -4.3555 -3.7179 -3.7149 -2.1216 -2.1191 -1.5551 -1.5453 -1.2927 -1.2272 -1.1494 -1.1074 0.1464 0.1698 0.5545 0.5557 1.0865 1.1009 1.5905 1.5937 1.8831 1.8859 1.9527 1.9532 2.5754 2.5775 3.0018 3.0052 3.2904 3.2963 3.6865 3.6876 3.7568 3.7606 3.9656 3.9661 9.2517 9.2668 9.3543 9.3678 9.9770 9.9816 10.5403 10.5596 11.3578 11.3586 k =-0.3453 0.5593 0.2249 ( 5021 PWs) bands (ev): -13.3182 -13.3174 -13.1641 -13.1641 -11.8500 -11.8490 -10.5533 -10.5446 -9.9641 -9.9514 -9.5989 -9.5763 -4.2901 -4.2843 -3.7199 -3.7174 -2.1952 -2.1912 -1.5976 -1.5897 -1.2132 -1.1472 -1.1061 -1.0648 0.1907 0.2111 0.5690 0.5710 1.0509 1.0672 1.5854 1.5881 1.8567 1.8651 1.9372 1.9383 2.5991 2.6013 2.9967 2.9998 3.3014 3.3069 3.6787 3.6794 3.7541 3.7575 3.9499 3.9502 9.2136 9.2274 9.3673 9.3830 9.9398 9.9447 10.5532 10.5731 11.3336 11.3362 k =-0.3453 0.5593 0.2422 ( 5011 PWs) bands (ev): -13.3137 -13.3129 -13.1659 -13.1659 -11.8221 -11.8211 -10.5387 -10.5304 -10.0209 -10.0089 -9.6237 -9.6021 -4.2167 -4.2100 -3.7199 -3.7178 -2.2690 -2.2638 -1.6437 -1.6375 -1.1311 -1.0642 -1.0581 -1.0187 0.2321 0.2497 0.5846 0.5875 1.0143 1.0322 1.5784 1.5805 1.8270 1.8408 1.9237 1.9252 2.6230 2.6254 2.9924 2.9952 3.3119 3.3170 3.6709 3.6712 3.7499 3.7530 3.9335 3.9335 9.1762 9.1886 9.3859 9.4038 9.9071 9.9122 10.5665 10.5869 11.2981 11.3030 k =-0.3453 0.5593 0.2595 ( 5009 PWs) bands (ev): -13.3090 -13.3082 -13.1678 -13.1678 -11.7921 -11.7913 -10.5229 -10.5150 -10.0795 -10.0681 -9.6497 -9.6292 -4.1406 -4.1331 -3.7176 -3.7161 -2.3426 -2.3363 -1.6931 -1.6883 -1.0490 -1.0040 -0.9789 -0.9690 0.2703 0.2852 0.6012 0.6050 0.9767 0.9960 1.5694 1.5710 1.7940 1.8129 1.9119 1.9136 2.6472 2.6496 2.9889 2.9915 3.3219 3.3266 3.6630 3.6632 3.7442 3.7469 3.9161 3.9164 9.1408 9.1514 9.4103 9.4302 9.8782 9.8836 10.5799 10.6008 11.2534 11.2608 k =-0.3453 0.5593 0.2768 ( 5008 PWs) bands (ev): -13.3041 -13.3033 -13.1699 -13.1699 -11.7602 -11.7596 -10.5061 -10.4986 -10.1397 -10.1289 -9.6769 -9.6575 -4.0623 -4.0539 -3.7129 -3.7121 -2.4157 -2.4085 -1.7455 -1.7420 -0.9744 -0.9372 -0.9167 -0.8913 0.3051 0.3173 0.6187 0.6236 0.9383 0.9585 1.5590 1.5600 1.7578 1.7815 1.9014 1.9029 2.6716 2.6741 2.9862 2.9885 3.3313 3.3356 3.6550 3.6557 3.7369 3.7392 3.8981 3.8987 9.1083 9.1171 9.4403 9.4621 9.8523 9.8581 10.5929 10.6143 11.2016 11.2113 k =-0.3453 0.5593 0.2941 ( 5012 PWs) bands (ev): -13.2990 -13.2983 -13.1722 -13.1721 -11.7264 -11.7259 -10.4882 -10.4812 -10.2011 -10.1909 -9.7050 -9.6867 -3.9821 -3.9728 -3.7058 -3.7055 -2.4880 -2.4801 -1.8006 -1.7985 -0.9105 -0.8609 -0.8550 -0.8028 0.3362 0.3459 0.6370 0.6428 0.8991 0.9199 1.5476 1.5481 1.7185 1.7466 1.8914 1.8926 2.6962 2.6988 2.9844 2.9864 3.3401 3.3442 3.6474 3.6487 3.7278 3.7298 3.8797 3.8806 9.0797 9.0865 9.4760 9.4995 9.8287 9.8350 10.6051 10.6271 11.1449 11.1564 k =-0.3453 0.5593 0.3114 ( 5007 PWs) bands (ev): -13.2938 -13.2931 -13.1747 -13.1746 -11.6907 -11.6904 -10.4692 -10.4628 -10.2634 -10.2539 -9.7340 -9.7168 -3.9002 -3.8902 -3.6964 -3.6961 -2.5594 -2.5508 -1.8584 -1.8576 -0.8486 -0.8024 -0.7669 -0.7136 0.3634 0.3705 0.6555 0.6623 0.8596 0.8805 1.5359 1.5360 1.6765 1.7085 1.8812 1.8819 2.7209 2.7235 2.9834 2.9850 3.3485 3.3523 3.6405 3.6422 3.7172 3.7186 3.8611 3.8623 9.0559 9.0607 9.5171 9.5422 9.8064 9.8132 10.6159 10.6386 11.0853 11.0980 k =-0.3453 0.5593 0.3286 ( 5013 PWs) bands (ev): -13.2885 -13.2878 -13.1774 -13.1772 -11.6530 -11.6529 -10.4493 -10.4433 -10.3265 -10.3175 -9.7637 -9.7477 -3.8172 -3.8064 -3.6846 -3.6837 -2.6295 -2.6205 -1.9191 -1.9187 -0.7853 -0.7411 -0.6771 -0.6242 0.3865 0.3911 0.6733 0.6803 0.8215 0.8412 1.5241 1.5248 1.6321 1.6674 1.8703 1.8703 2.7455 2.7482 2.9832 2.9844 3.3564 3.3600 3.6342 3.6365 3.7049 3.7059 3.8422 3.8438 9.0377 9.0403 9.5634 9.5899 9.7845 9.7920 10.6246 10.6481 11.0250 11.0382 k =-0.3453 0.5593 0.3459 ( 5014 PWs) bands (ev): -13.2831 -13.2824 -13.1802 -13.1800 -11.6136 -11.6135 -10.4284 -10.4231 -10.3898 -10.3815 -9.7941 -9.7792 -3.7333 -3.7217 -3.6699 -3.6686 -2.6983 -2.6889 -1.9829 -1.9813 -0.7197 -0.6773 -0.5871 -0.5352 0.4051 0.4073 0.6871 0.6916 0.7898 0.8051 1.5130 1.5147 1.5860 1.6236 1.8571 1.8579 2.7698 2.7727 2.9836 2.9845 3.3640 3.3675 3.6289 3.6316 3.6911 3.6915 3.8235 3.8254 9.0255 9.0259 9.6144 9.6422 9.7618 9.7701 10.6305 10.6549 10.9661 10.9790 k =-0.3453 0.5593 0.3632 ( 5029 PWs) bands (ev): -13.2776 -13.2769 -13.1833 -13.1831 -11.5725 -11.5722 -10.4543 -10.4466 -10.4056 -10.4009 -9.8249 -9.8112 -3.6574 -3.6510 -3.6438 -3.6360 -2.7656 -2.7559 -2.0488 -2.0460 -0.6518 -0.6112 -0.4978 -0.4473 0.4189 0.4191 0.6817 0.6863 0.7789 0.7826 1.5021 1.5064 1.5398 1.5778 1.8419 1.8437 2.7937 2.7967 2.9846 2.9850 3.3715 3.3749 3.6245 3.6277 3.6758 3.6759 3.8049 3.8071 9.0181 9.0198 9.6696 9.6986 9.7373 9.7465 10.6325 10.6582 10.9106 10.9225 k =-0.3453 0.5593 0.3805 ( 5029 PWs) bands (ev): -13.2721 -13.2714 -13.1865 -13.1862 -11.5296 -11.5291 -10.5181 -10.5108 -10.3827 -10.3786 -9.8562 -9.8436 -3.6341 -3.6303 -3.5619 -3.5503 -2.8312 -2.8214 -2.1168 -2.1129 -0.5818 -0.5430 -0.4097 -0.3609 0.4256 0.4281 0.6476 0.6596 0.7849 0.7916 1.4791 1.5001 1.5070 1.5304 1.8245 1.8273 2.8170 2.8202 2.9859 2.9859 3.3790 3.3824 3.6213 3.6250 3.6588 3.6595 3.7865 3.7891 9.0170 9.0208 9.7077 9.7199 9.7310 9.7589 10.6298 10.6569 10.8606 10.8707 k =-0.3453 0.5593 0.3978 ( 5027 PWs) bands (ev): -13.2666 -13.2658 -13.1899 -13.1896 -11.4850 -11.4842 -10.5819 -10.5751 -10.3587 -10.3552 -9.8877 -9.8763 -3.6112 -3.6069 -3.4764 -3.4643 -2.8951 -2.8851 -2.1867 -2.1817 -0.5098 -0.4731 -0.3236 -0.2766 0.4271 0.4319 0.6024 0.6158 0.8029 0.8149 1.4335 1.4798 1.4989 1.4991 1.8049 1.8085 2.8393 2.8427 2.9869 2.9875 3.3868 3.3903 3.6192 3.6234 3.6408 3.6420 3.7687 3.7716 9.0229 9.0288 9.6774 9.6898 9.7924 9.8221 10.6215 10.6504 10.8179 10.8255 k =-0.3453 0.5593 0.4151 ( 5035 PWs) bands (ev): -13.2610 -13.2603 -13.1936 -13.1932 -11.4387 -11.4377 -10.6454 -10.6392 -10.3337 -10.3309 -9.9194 -9.9091 -3.5857 -3.5808 -3.3908 -3.3782 -2.9571 -2.9471 -2.2584 -2.2523 -0.4362 -0.4017 -0.2400 -0.1950 0.4229 0.4300 0.5522 0.5645 0.8272 0.8426 1.3842 1.4308 1.4980 1.4986 1.7829 1.7874 2.8605 2.8641 2.9878 2.9888 3.3951 3.3988 3.6169 3.6217 3.6236 3.6250 3.7513 3.7545 9.0357 9.0437 9.6415 9.6551 9.8575 9.8879 10.6071 10.6376 10.7834 10.7884 k =-0.3453 0.5593 0.4324 ( 5035 PWs) bands (ev): -13.2555 -13.2548 -13.1974 -13.1970 -11.3907 -11.3894 -10.7086 -10.7028 -10.3077 -10.3056 -9.9512 -9.9420 -3.5575 -3.5520 -3.3052 -3.2924 -3.0172 -3.0072 -2.3317 -2.3246 -0.3612 -0.3292 -0.1595 -0.1167 0.4128 0.4218 0.4989 0.5089 0.8549 0.8731 1.3348 1.3809 1.5012 1.5027 1.7589 1.7642 2.8803 2.8842 2.9881 2.9897 3.4042 3.4082 3.6013 3.6044 3.6204 3.6244 3.7347 3.7382 9.0554 9.0653 9.6007 9.6156 9.9248 9.9555 10.5862 10.6181 10.7578 10.7604 k =-0.3453 0.5593 0.4497 ( 5024 PWs) bands (ev): -13.2500 -13.2494 -13.2014 -13.2010 -11.3411 -11.3396 -10.7711 -10.7658 -10.2808 -10.2795 -9.9829 -9.9748 -3.5265 -3.5205 -3.2199 -3.2070 -3.0750 -3.0653 -2.4066 -2.3986 -0.2852 -0.2559 -0.0827 -0.0422 0.3954 0.4048 0.4455 0.4508 0.8848 0.9058 1.2859 1.3312 1.5083 1.5106 1.7332 1.7390 2.8987 2.9028 2.9877 2.9899 3.4143 3.4186 3.5816 3.5851 3.6224 3.6268 3.7189 3.7226 9.0818 9.0933 9.5554 9.5714 9.9934 10.0243 10.5590 10.5913 10.7413 10.7422 k =-0.3453 0.5593 0.4670 ( 5018 PWs) bands (ev): -13.2446 -13.2440 -13.2055 -13.2051 -11.2900 -11.2881 -10.8330 -10.8281 -10.2531 -10.2526 -10.0145 -10.0074 -3.4929 -3.4862 -3.1403 -3.1255 -3.1254 -3.1180 -2.4830 -2.4741 -0.2086 -0.1822 -0.0102 0.0280 0.3650 0.3677 0.3966 0.4033 0.9167 0.9404 1.2381 1.2820 1.5194 1.5225 1.7062 1.7124 2.9155 2.9198 2.9862 2.9889 3.4258 3.4303 3.5616 3.5656 3.6259 3.6305 3.7039 3.7079 9.1143 9.1275 9.5063 9.5231 10.0624 10.0935 10.5251 10.5573 10.7338 10.7338 k =-0.3453 0.5593 0.4843 ( 5019 PWs) bands (ev): -13.2393 -13.2387 -13.2099 -13.2094 -11.2374 -11.2352 -10.8940 -10.8896 -10.2249 -10.2246 -10.0459 -10.0399 -3.4565 -3.4494 -3.1853 -3.1755 -3.0497 -3.0374 -2.5607 -2.5510 -0.1319 -0.1084 0.0573 0.0934 0.3101 0.3105 0.3577 0.3730 0.9505 0.9769 1.1917 1.2338 1.5342 1.5381 1.6785 1.6850 2.9305 2.9349 2.9834 2.9866 3.4386 3.4434 3.5417 3.5461 3.6310 3.6357 3.6899 3.6941 9.1525 9.1671 9.4543 9.4717 10.1312 10.1622 10.4845 10.5163 10.7349 10.7353 k =-0.3453 0.5593 0.5016 ( 5016 PWs) bands (ev): -13.2341 -13.2335 -13.2144 -13.2139 -11.1833 -11.1808 -10.9541 -10.9501 -10.1965 -10.1953 -10.0769 -10.0719 -3.4176 -3.4099 -3.2365 -3.2271 -2.9661 -2.9539 -2.6396 -2.6293 -0.0554 -0.0352 0.1182 0.1534 0.2460 0.2464 0.3217 0.3405 0.9861 1.0153 1.1470 1.1869 1.5525 1.5571 1.6507 1.6572 2.9438 2.9483 2.9790 2.9826 3.4528 3.4578 3.5222 3.5269 3.6375 3.6423 3.6770 3.6814 9.1957 9.2115 9.4007 9.4184 10.1987 10.2297 10.4374 10.4688 10.7446 10.7452 k =-0.3453 0.5593 0.5189 ( 5015 PWs) bands (ev): -13.2289 -13.2284 -13.2191 -13.2186 -11.1279 -11.1250 -11.0132 -11.0096 -10.1675 -10.1654 -10.1076 -10.1036 -3.3760 -3.3679 -3.2854 -3.2764 -2.8831 -2.8712 -2.7197 -2.7088 0.0201 0.0372 0.1512 0.1757 0.1999 0.2119 0.2816 0.3027 1.0235 1.0556 1.1040 1.1414 1.5738 1.5792 1.6236 1.6299 2.9553 2.9597 2.9729 2.9769 3.4684 3.4735 3.5034 3.5083 3.6454 3.6501 3.6652 3.6697 9.2432 9.2598 9.3468 9.3645 10.2640 10.2950 10.3843 10.4155 10.7621 10.7630 k =-0.3453 0.5593 0.5362 ( 5010 PWs) bands (ev): -13.2240 -13.2240 -13.2234 -13.2234 -11.0711 -11.0711 -11.0679 -11.0679 -10.1378 -10.1378 -10.1348 -10.1348 -3.3320 -3.3320 -3.3233 -3.3233 -2.8009 -2.8009 -2.7895 -2.7895 0.0932 0.0932 0.1082 0.1082 0.2370 0.2370 0.2593 0.2593 1.0628 1.0628 1.0976 1.0976 1.5977 1.5977 1.6036 1.6036 2.9650 2.9650 2.9693 2.9693 3.4854 3.4854 3.4904 3.4904 3.6547 3.6547 3.6593 3.6593 9.2939 9.2939 9.3112 9.3112 10.3262 10.3262 10.3573 10.3573 10.7867 10.7867 k =-0.3453 0.5593 0.5362 ( 5010 PWs) bands (ev): -13.2240 -13.2240 -13.2234 -13.2234 -11.0711 -11.0711 -11.0679 -11.0679 -10.1378 -10.1378 -10.1348 -10.1348 -3.3320 -3.3320 -3.3233 -3.3233 -2.8009 -2.8009 -2.7895 -2.7895 0.0932 0.0932 0.1082 0.1082 0.2370 0.2370 0.2593 0.2593 1.0628 1.0628 1.0976 1.0976 1.5977 1.5977 1.6036 1.6036 2.9650 2.9650 2.9693 2.9693 3.4854 3.4854 3.4904 3.4904 3.6547 3.6547 3.6593 3.6593 9.2939 9.2939 9.3112 9.3112 10.3262 10.3262 10.3573 10.3573 10.7867 10.7867 k =-0.3544 0.5445 0.5362 ( 5006 PWs) bands (ev): -13.2199 -13.2199 -13.2193 -13.2193 -11.0989 -11.0989 -11.0958 -11.0958 -10.1086 -10.1086 -10.1056 -10.1056 -3.3975 -3.3975 -3.3897 -3.3897 -2.7471 -2.7471 -2.7356 -2.7356 0.1003 0.1003 0.1153 0.1153 0.2440 0.2440 0.2646 0.2646 1.0667 1.0667 1.1002 1.1002 1.6043 1.6043 1.6102 1.6102 2.9547 2.9547 2.9588 2.9588 3.4668 3.4668 3.4716 3.4716 3.6730 3.6730 3.6776 3.6776 9.2744 9.2744 9.2915 9.2915 10.3304 10.3304 10.3601 10.3601 10.8003 10.8003 k =-0.3635 0.5298 0.5362 ( 5012 PWs) bands (ev): -13.2160 -13.2160 -13.2155 -13.2155 -11.1251 -11.1251 -11.1222 -11.1222 -10.0800 -10.0800 -10.0771 -10.0771 -3.4609 -3.4609 -3.4539 -3.4539 -2.6959 -2.6959 -2.6845 -2.6845 0.1075 0.1075 0.1224 0.1224 0.2507 0.2507 0.2694 0.2694 1.0694 1.0694 1.1016 1.1016 1.6124 1.6124 1.6182 1.6182 2.9434 2.9434 2.9473 2.9473 3.4491 3.4491 3.4537 3.4537 3.6924 3.6924 3.6968 3.6968 9.2531 9.2531 9.2698 9.2698 10.3339 10.3339 10.3622 10.3622 10.8176 10.8176 k =-0.3726 0.5151 0.5362 ( 5024 PWs) bands (ev): -13.2124 -13.2124 -13.2119 -13.2119 -11.1498 -11.1498 -11.1470 -11.1470 -10.0523 -10.0523 -10.0495 -10.0495 -3.5218 -3.5218 -3.5155 -3.5155 -2.6473 -2.6473 -2.6361 -2.6361 0.1147 0.1147 0.1296 0.1296 0.2569 0.2569 0.2739 0.2739 1.0711 1.0711 1.1017 1.1017 1.6219 1.6219 1.6276 1.6276 2.9314 2.9314 2.9351 2.9351 3.4326 3.4326 3.4370 3.4370 3.7124 3.7124 3.7166 3.7166 9.2305 9.2305 9.2467 9.2467 10.3374 10.3374 10.3641 10.3641 10.8379 10.8379 k =-0.3817 0.5003 0.5362 ( 5052 PWs) bands (ev): -13.2090 -13.2090 -13.2085 -13.2085 -11.1729 -11.1729 -11.1703 -11.1703 -10.0254 -10.0254 -10.0228 -10.0228 -3.5801 -3.5801 -3.5744 -3.5744 -2.6017 -2.6017 -2.5907 -2.5907 0.1221 0.1221 0.1367 0.1367 0.2628 0.2628 0.2780 0.2780 1.0716 1.0716 1.1006 1.1006 1.6324 1.6324 1.6381 1.6381 2.9186 2.9186 2.9221 2.9221 3.4172 3.4172 3.4213 3.4213 3.7328 3.7328 3.7368 3.7368 9.2072 9.2072 9.2227 9.2227 10.3412 10.3412 10.3664 10.3664 10.8606 10.8606 k =-0.3908 0.4856 0.5362 ( 5044 PWs) bands (ev): -13.2058 -13.2058 -13.2054 -13.2054 -11.1944 -11.1944 -11.1920 -11.1920 -9.9997 -9.9997 -9.9972 -9.9972 -3.6353 -3.6353 -3.6303 -3.6303 -2.5590 -2.5590 -2.5484 -2.5484 0.1296 0.1296 0.1439 0.1439 0.2682 0.2682 0.2818 0.2818 1.0712 1.0712 1.0984 1.0984 1.6438 1.6438 1.6493 1.6493 2.9055 2.9055 2.9087 2.9087 3.4029 3.4029 3.4068 3.4068 3.7533 3.7533 3.7571 3.7571 9.1837 9.1837 9.1984 9.1984 10.3458 10.3458 10.3693 10.3693 10.8849 10.8849 k =-0.3999 0.4708 0.5362 ( 5040 PWs) bands (ev): -13.2029 -13.2029 -13.2025 -13.2025 -11.2143 -11.2143 -11.2121 -11.2121 -9.9753 -9.9753 -9.9729 -9.9729 -3.6872 -3.6872 -3.6828 -3.6828 -2.5193 -2.5193 -2.5092 -2.5092 0.1373 0.1373 0.1510 0.1510 0.2733 0.2733 0.2852 0.2852 1.0698 1.0698 1.0952 1.0952 1.6558 1.6558 1.6611 1.6611 2.8920 2.8920 2.8951 2.8951 3.3898 3.3898 3.3935 3.3935 3.7736 3.7736 3.7771 3.7771 9.1604 9.1604 9.1742 9.1742 10.3513 10.3513 10.3731 10.3731 10.9102 10.9102 k =-0.4090 0.4561 0.5362 ( 5050 PWs) bands (ev): -13.2002 -13.2002 -13.1999 -13.1999 -11.2325 -11.2325 -11.2305 -11.2305 -9.9523 -9.9523 -9.9501 -9.9501 -3.7357 -3.7357 -3.7318 -3.7318 -2.4828 -2.4828 -2.4732 -2.4732 0.1449 0.1449 0.1581 0.1581 0.2780 0.2780 0.2883 0.2883 1.0676 1.0676 1.0910 1.0910 1.6681 1.6681 1.6732 1.6732 2.8786 2.8786 2.8813 2.8813 3.3780 3.3780 3.3813 3.3813 3.7935 3.7935 3.7967 3.7967 9.1379 9.1379 9.1507 9.1507 10.3579 10.3579 10.3780 10.3780 10.9357 10.9357 k =-0.4181 0.4414 0.5362 ( 5036 PWs) bands (ev): -13.1978 -13.1978 -13.1975 -13.1975 -11.2491 -11.2491 -11.2473 -11.2473 -9.9310 -9.9310 -9.9289 -9.9289 -3.7803 -3.7803 -3.7769 -3.7769 -2.4494 -2.4494 -2.4405 -2.4405 0.1525 0.1525 0.1650 0.1650 0.2823 0.2823 0.2911 0.2911 1.0649 1.0649 1.0862 1.0862 1.6805 1.6805 1.6853 1.6853 2.8653 2.8653 2.8678 2.8678 3.3673 3.3673 3.3704 3.3704 3.8125 3.8125 3.8154 3.8154 9.1165 9.1165 9.1282 9.1282 10.3657 10.3657 10.3839 10.3839 10.9609 10.9609 k =-0.4272 0.4266 0.5362 ( 5040 PWs) bands (ev): -13.1956 -13.1956 -13.1953 -13.1953 -11.2639 -11.2639 -11.2623 -11.2623 -9.9113 -9.9113 -9.9095 -9.9095 -3.8209 -3.8209 -3.8180 -3.8180 -2.4194 -2.4194 -2.4112 -2.4112 0.1600 0.1600 0.1716 0.1716 0.2862 0.2862 0.2936 0.2936 1.0617 1.0617 1.0809 1.0809 1.6926 1.6926 1.6970 1.6970 2.8525 2.8525 2.8548 2.8548 3.3578 3.3578 3.3606 3.3606 3.8304 3.8304 3.8331 3.8331 9.0965 9.0965 9.1071 9.1071 10.3744 10.3744 10.3908 10.3908 10.9852 10.9852 k =-0.4363 0.4119 0.5362 ( 5040 PWs) bands (ev): -13.1937 -13.1937 -13.1935 -13.1935 -11.2771 -11.2771 -11.2756 -11.2756 -9.8936 -9.8936 -9.8919 -9.8919 -3.8573 -3.8573 -3.8549 -3.8549 -2.3927 -2.3927 -2.3853 -2.3853 0.1672 0.1672 0.1778 0.1778 0.2897 0.2897 0.2958 0.2958 1.0583 1.0583 1.0752 1.0752 1.7042 1.7042 1.7082 1.7082 2.8405 2.8405 2.8424 2.8424 3.3495 3.3495 3.3519 3.3519 3.8470 3.8470 3.8493 3.8493 9.0783 9.0783 9.0877 9.0877 10.3839 10.3839 10.3985 10.3985 11.0080 11.0080 k =-0.4454 0.3971 0.5362 ( 5040 PWs) bands (ev): -13.1920 -13.1920 -13.1918 -13.1918 -11.2885 -11.2885 -11.2872 -11.2872 -9.8779 -9.8779 -9.8765 -9.8765 -3.8893 -3.8893 -3.8872 -3.8872 -2.3694 -2.3694 -2.3629 -2.3629 0.1740 0.1740 0.1835 0.1835 0.2928 0.2928 0.2977 0.2977 1.0549 1.0549 1.0696 1.0696 1.7150 1.7150 1.7185 1.7185 2.8294 2.8294 2.8310 2.8310 3.3423 3.3423 3.3445 3.3445 3.8620 3.8620 3.8639 3.8639 9.0621 9.0621 9.0702 9.0702 10.3939 10.3939 10.4066 10.4066 11.0289 11.0289 k =-0.4545 0.3824 0.5362 ( 5054 PWs) bands (ev): -13.1906 -13.1906 -13.1905 -13.1905 -11.2981 -11.2981 -11.2971 -11.2971 -9.8644 -9.8644 -9.8632 -9.8632 -3.9166 -3.9166 -3.9150 -3.9150 -2.3495 -2.3495 -2.3440 -2.3440 0.1802 0.1802 0.1884 0.1884 0.2955 0.2955 0.2993 0.2993 1.0518 1.0518 1.0641 1.0641 1.7247 1.7247 1.7277 1.7277 2.8195 2.8195 2.8209 2.8209 3.3363 3.3363 3.3381 3.3381 3.8751 3.8751 3.8767 3.8767 9.0481 9.0481 9.0550 9.0550 10.4039 10.4039 10.4146 10.4146 11.0473 11.0474 k =-0.4636 0.3676 0.5362 ( 5050 PWs) bands (ev): -13.1895 -13.1895 -13.1893 -13.1893 -11.3060 -11.3060 -11.3052 -11.3052 -9.8531 -9.8531 -9.8522 -9.8522 -3.9392 -3.9392 -3.9379 -3.9379 -2.3331 -2.3331 -2.3286 -2.3286 0.1858 0.1858 0.1925 0.1925 0.2977 0.2977 0.3006 0.3006 1.0491 1.0491 1.0590 1.0590 1.7331 1.7331 1.7355 1.7355 2.8111 2.8111 2.8122 2.8122 3.3315 3.3315 3.3329 3.3329 3.8861 3.8861 3.8874 3.8874 9.0366 9.0366 9.0421 9.0421 10.4134 10.4134 10.4220 10.4220 11.0631 11.0631 k =-0.4727 0.3529 0.5362 ( 5054 PWs) bands (ev): -13.1886 -13.1886 -13.1885 -13.1885 -11.3121 -11.3121 -11.3115 -11.3115 -9.8443 -9.8443 -9.8435 -9.8435 -3.9569 -3.9569 -3.9559 -3.9559 -2.3201 -2.3201 -2.3167 -2.3167 0.1904 0.1904 0.1956 0.1956 0.2996 0.2996 0.3016 0.3016 1.0471 1.0471 1.0546 1.0546 1.7399 1.7399 1.7418 1.7418 2.8043 2.8043 2.8052 2.8052 3.3278 3.3278 3.3289 3.3289 3.8949 3.8949 3.8959 3.8959 9.0277 9.0277 9.0318 9.0318 10.4218 10.4218 10.4283 10.4283 11.0757 11.0757 k =-0.4818 0.3382 0.5362 ( 5050 PWs) bands (ev): -13.1879 -13.1879 -13.1878 -13.1878 -11.3165 -11.3165 -11.3161 -11.3161 -9.8378 -9.8378 -9.8373 -9.8373 -3.9695 -3.9695 -3.9689 -3.9689 -2.3107 -2.3107 -2.3084 -2.3084 0.1941 0.1941 0.1977 0.1977 0.3010 0.3010 0.3023 0.3023 1.0459 1.0459 1.0509 1.0509 1.7450 1.7450 1.7463 1.7463 2.7994 2.7994 2.8000 2.8000 3.3252 3.3252 3.3259 3.3259 3.9013 3.9013 3.9020 3.9020 9.0214 9.0214 9.0242 9.0242 10.4286 10.4286 10.4330 10.4330 11.0850 11.0850 k =-0.4909 0.3234 0.5362 ( 5050 PWs) bands (ev): -13.1875 -13.1875 -13.1875 -13.1875 -11.3191 -11.3191 -11.3188 -11.3188 -9.8339 -9.8339 -9.8336 -9.8336 -3.9771 -3.9771 -3.9767 -3.9767 -2.3048 -2.3048 -2.3036 -2.3036 0.1968 0.1968 0.1985 0.1985 0.3020 0.3020 0.3026 0.3026 1.0456 1.0456 1.0481 1.0481 1.7483 1.7483 1.7489 1.7489 2.7965 2.7965 2.7967 2.7967 3.3237 3.3237 3.3241 3.3241 3.9053 3.9053 3.9056 3.9056 9.0179 9.0179 9.0193 9.0193 10.4333 10.4333 10.4355 10.4355 11.0908 11.0909 k =-0.5000 0.3087 0.5362 ( 5040 PWs) bands (ev): -13.1874 -13.1874 -13.1874 -13.1874 -11.3198 -11.3198 -11.3198 -11.3198 -9.8325 -9.8325 -9.8325 -9.8325 -3.9795 -3.9795 -3.9795 -3.9795 -2.3024 -2.3024 -2.3024 -2.3024 0.1982 0.1982 0.1982 0.1982 0.3025 0.3025 0.3025 0.3025 1.0463 1.0463 1.0463 1.0463 1.7496 1.7496 1.7496 1.7496 2.7956 2.7956 2.7956 2.7956 3.3233 3.3233 3.3233 3.3233 3.9067 3.9067 3.9067 3.9067 9.0172 9.0172 9.0172 9.0172 10.4357 10.4357 10.4357 10.4357 11.0929 11.0929 k =-0.5000 0.3087 0.5362 ( 5040 PWs) bands (ev): -13.1874 -13.1874 -13.1874 -13.1874 -11.3198 -11.3198 -11.3198 -11.3198 -9.8325 -9.8325 -9.8325 -9.8325 -3.9795 -3.9795 -3.9795 -3.9795 -2.3024 -2.3024 -2.3024 -2.3024 0.1982 0.1982 0.1982 0.1982 0.3025 0.3025 0.3025 0.3025 1.0463 1.0463 1.0463 1.0463 1.7496 1.7496 1.7496 1.7496 2.7956 2.7956 2.7956 2.7956 3.3233 3.3233 3.3233 3.3233 3.9067 3.9067 3.9067 3.9067 9.0172 9.0172 9.0172 9.0172 10.4357 10.4357 10.4357 10.4357 11.0929 11.0929 k =-0.5000 0.3087 0.5189 ( 5050 PWs) bands (ev): -13.1902 -13.1902 -13.1846 -13.1846 -11.3792 -11.3792 -11.2591 -11.2591 -9.8373 -9.8373 -9.8279 -9.8279 -3.9814 -3.9814 -3.9741 -3.9741 -2.4044 -2.4044 -2.2032 -2.2032 0.1431 0.1431 0.2461 0.2461 0.2993 0.2993 0.3085 0.3085 0.9981 0.9981 1.0965 1.0965 1.7406 1.7406 1.7570 1.7570 2.7840 2.7840 2.8049 2.8049 3.3104 3.3104 3.3383 3.3383 3.8998 3.8998 3.9147 3.9147 9.0158 9.0158 9.0266 9.0266 10.4223 10.4223 10.4405 10.4405 11.0506 11.0506 k =-0.5000 0.3087 0.5016 ( 5050 PWs) bands (ev): -13.1932 -13.1932 -13.1819 -13.1819 -11.4372 -11.4372 -11.1971 -11.1971 -9.8422 -9.8422 -9.8235 -9.8235 -3.9797 -3.9797 -3.9652 -3.9652 -2.5089 -2.5089 -2.1069 -2.1069 0.0879 0.0879 0.2567 0.2567 0.3039 0.3039 0.3352 0.3352 0.9524 0.9524 1.1480 1.1480 1.7296 1.7296 1.7630 1.7630 2.7702 2.7702 2.8121 2.8121 3.2997 3.2997 3.3549 3.3549 3.8940 3.8940 3.9236 3.9236 9.0225 9.0225 9.0441 9.0441 10.3997 10.3997 10.4377 10.4377 11.0097 11.0097 k =-0.5000 0.3087 0.4843 ( 5036 PWs) bands (ev): -13.1962 -13.1962 -13.1794 -13.1794 -11.4936 -11.4936 -11.1340 -11.1340 -9.8472 -9.8472 -9.8192 -9.8192 -3.9746 -3.9746 -3.9528 -3.9528 -2.6154 -2.6154 -2.0137 -2.0137 0.0339 0.0339 0.2399 0.2399 0.2991 0.2991 0.3876 0.3876 0.9103 0.9103 1.2006 1.2006 1.7166 1.7166 1.7681 1.7681 2.7541 2.7541 2.8178 2.8178 3.2913 3.2913 3.3727 3.3727 3.8894 3.8894 3.9334 3.9334 9.0370 9.0370 9.0697 9.0697 10.3677 10.3677 10.4284 10.4284 10.9707 10.9707 k =-0.5000 0.3087 0.4670 ( 5038 PWs) bands (ev): -13.1993 -13.1993 -13.1769 -13.1769 -11.5485 -11.5485 -11.0698 -11.0698 -9.8523 -9.8523 -9.8151 -9.8151 -3.9659 -3.9659 -3.9370 -3.9370 -2.7238 -2.7238 -1.9240 -1.9240 -0.0184 -0.0184 0.2147 0.2147 0.2876 0.2876 0.4415 0.4415 0.8739 0.8739 1.2540 1.2540 1.7016 1.7016 1.7727 1.7727 2.7360 2.7360 2.8222 2.8222 3.2850 3.2850 3.3911 3.3911 3.8860 3.8860 3.9440 3.9440 9.0589 9.0589 9.1032 9.1032 10.3264 10.3264 10.4137 10.4137 10.9338 10.9338 k =-0.5000 0.3087 0.4497 ( 5036 PWs) bands (ev): -13.2024 -13.2024 -13.1746 -13.1746 -11.6018 -11.6018 -11.0046 -11.0046 -9.8575 -9.8575 -9.8113 -9.8113 -3.9538 -3.9538 -3.9178 -3.9178 -2.8337 -2.8337 -1.8378 -1.8378 -0.0689 -0.0689 0.1841 0.1841 0.2696 0.2696 0.4898 0.4898 0.8469 0.8469 1.3079 1.3079 1.6845 1.6845 1.7775 1.7775 2.7163 2.7163 2.8257 2.8257 3.2805 3.2805 3.4095 3.4095 3.8839 3.8839 3.9553 3.9553 9.0879 9.0879 9.1442 9.1442 10.2765 10.2765 10.3947 10.3947 10.8995 10.8995 k =-0.5000 0.3087 0.4324 ( 5028 PWs) bands (ev): -13.2056 -13.2056 -13.1724 -13.1724 -11.6534 -11.6534 -10.9385 -10.9385 -9.8628 -9.8628 -9.8076 -9.8076 -3.9382 -3.9382 -3.8952 -3.8952 -2.9447 -2.9447 -1.7552 -1.7552 -0.1175 -0.1175 0.1487 0.1487 0.2450 0.2450 0.5254 0.5254 0.8356 0.8356 1.3622 1.3622 1.6656 1.6656 1.7828 1.7828 2.6954 2.6954 2.8287 2.8287 3.2775 3.2775 3.4275 3.4275 3.8832 3.8832 3.9672 3.9672 9.1234 9.1234 9.1925 9.1925 10.2189 10.2189 10.3722 10.3722 10.8682 10.8682 k =-0.5000 0.3087 0.4151 ( 5030 PWs) bands (ev): -13.2088 -13.2088 -13.1703 -13.1703 -11.7033 -11.7033 -10.8718 -10.8718 -9.8682 -9.8682 -9.8042 -9.8042 -3.9193 -3.9193 -3.8694 -3.8694 -3.0566 -3.0566 -1.6764 -1.6764 -0.1640 -0.1640 0.1089 0.1089 0.2138 0.2138 0.5412 0.5412 0.8467 0.8467 1.4165 1.4165 1.6452 1.6452 1.7892 1.7892 2.6739 2.6739 2.8314 2.8314 3.2756 3.2756 3.4444 3.4444 3.8839 3.8839 3.9796 3.9796 9.1647 9.1647 9.2475 9.2475 10.1548 10.1548 10.3470 10.3470 10.8402 10.8402 k =-0.5000 0.3087 0.3978 ( 5034 PWs) bands (ev): -13.2121 -13.2121 -13.1684 -13.1684 -11.7515 -11.7515 -10.8044 -10.8044 -9.8735 -9.8735 -9.8009 -9.8009 -3.8971 -3.8971 -3.8403 -3.8403 -3.1688 -3.1688 -1.6014 -1.6014 -0.2085 -0.2085 0.0647 0.0647 0.1760 0.1760 0.5362 0.5362 0.8809 0.8809 1.4706 1.4706 1.6238 1.6238 1.7970 1.7970 2.6521 2.6521 2.8342 2.8342 3.2744 3.2744 3.4600 3.4600 3.8860 3.8860 3.9925 3.9925 9.2112 9.2112 9.3087 9.3087 10.0852 10.0852 10.3200 10.3200 10.8160 10.8160 k =-0.5000 0.3087 0.3805 ( 5020 PWs) bands (ev): -13.2153 -13.2153 -13.1665 -13.1665 -11.7978 -11.7978 -10.7366 -10.7366 -9.8789 -9.8789 -9.7979 -9.7979 -3.8717 -3.8717 -3.8082 -3.8082 -3.2811 -3.2811 -1.5303 -1.5303 -0.2510 -0.2510 0.0165 0.0165 0.1318 0.1318 0.5167 0.5167 0.9316 0.9316 1.5235 1.5235 1.6025 1.6025 1.8066 1.8066 2.6304 2.6304 2.8371 2.8371 3.2736 3.2736 3.4738 3.4738 3.8895 3.8895 4.0057 4.0057 9.2621 9.2621 9.3756 9.3756 10.0115 10.0115 10.2915 10.2915 10.7961 10.7961 k =-0.5000 0.3087 0.3632 ( 5012 PWs) bands (ev): -13.2185 -13.2185 -13.1648 -13.1648 -11.8423 -11.8423 -10.6686 -10.6686 -9.8842 -9.8842 -9.7950 -9.7950 -3.8431 -3.8431 -3.7731 -3.7731 -3.3931 -3.3931 -1.4629 -1.4629 -0.2914 -0.2914 -0.0357 -0.0357 0.0815 0.0815 0.4895 0.4895 0.9918 0.9918 1.5622 1.5622 1.5942 1.5942 1.8182 1.8182 2.6093 2.6093 2.8402 2.8402 3.2729 3.2729 3.4857 3.4857 3.8945 3.8945 4.0192 4.0192 9.3163 9.3163 9.4475 9.4475 9.9345 9.9345 10.2623 10.2623 10.7811 10.7811 k =-0.5000 0.3087 0.3459 ( 5016 PWs) bands (ev): -13.2218 -13.2218 -13.1632 -13.1632 -11.8850 -11.8850 -10.6005 -10.6005 -9.8895 -9.8895 -9.7924 -9.7924 -3.8116 -3.8116 -3.7350 -3.7350 -3.5044 -3.5044 -1.3994 -1.3994 -0.3299 -0.3299 -0.0917 -0.0917 0.0255 0.0255 0.4586 0.4586 1.0568 1.0568 1.5489 1.5489 1.6373 1.6373 1.8318 1.8318 2.5888 2.5888 2.8436 2.8436 3.2721 3.2721 3.4953 3.4953 3.9009 3.9009 4.0328 4.0328 9.3729 9.3729 9.5238 9.5238 9.8554 9.8554 10.2325 10.2325 10.7715 10.7715 k =-0.5000 0.3087 0.3286 ( 5012 PWs) bands (ev): -13.2249 -13.2249 -13.1617 -13.1617 -11.9257 -11.9257 -10.5326 -10.5326 -9.8948 -9.8948 -9.7899 -9.7899 -3.7772 -3.7772 -3.6943 -3.6943 -3.6145 -3.6145 -1.3396 -1.3396 -0.3665 -0.3665 -0.1512 -0.1512 -0.0355 -0.0355 0.4264 0.4264 1.1243 1.1243 1.5265 1.5265 1.6887 1.6887 1.8474 1.8474 2.5692 2.5692 2.8474 2.8474 3.2710 3.2710 3.5027 3.5027 3.9088 3.9088 4.0465 4.0465 9.4306 9.4306 9.6035 9.6035 9.7749 9.7749 10.2027 10.2027 10.7681 10.7681 k =-0.5000 0.3087 0.3114 ( 5010 PWs) bands (ev): -13.2281 -13.2281 -13.1604 -13.1604 -11.9645 -11.9645 -10.4650 -10.4650 -9.8999 -9.8999 -9.7877 -9.7877 -3.7410 -3.7410 -3.7223 -3.7223 -3.6510 -3.6510 -1.2835 -1.2835 -0.4012 -0.4012 -0.2140 -0.2140 -0.1011 -0.1011 0.3940 0.3940 1.1924 1.1924 1.5037 1.5037 1.7401 1.7401 1.8651 1.8651 2.5507 2.5507 2.8514 2.8514 3.2696 3.2696 3.5076 3.5076 3.9179 3.9179 4.0601 4.0601 9.4883 9.4883 9.6861 9.6861 9.6940 9.6940 10.1732 10.1732 10.7713 10.7713 k =-0.5000 0.3087 0.2941 ( 5018 PWs) bands (ev): -13.2311 -13.2311 -13.1591 -13.1591 -12.0013 -12.0013 -10.3980 -10.3980 -9.9049 -9.9049 -9.7856 -9.7856 -3.8302 -3.8302 -3.7001 -3.7001 -3.6053 -3.6053 -1.2311 -1.2311 -0.4341 -0.4341 -0.2797 -0.2797 -0.1705 -0.1705 0.3620 0.3620 1.2602 1.2602 1.4815 1.4815 1.7905 1.7905 1.8846 1.8846 2.5332 2.5332 2.8557 2.8557 3.2678 3.2678 3.5102 3.5102 3.9284 3.9284 4.0736 4.0736 9.5446 9.5446 9.6134 9.6134 9.7707 9.7707 10.1441 10.1441 10.7821 10.7821 k =-0.5000 0.3087 0.2768 ( 5030 PWs) bands (ev): -13.2341 -13.2341 -13.1580 -13.1580 -12.0362 -12.0362 -10.3319 -10.3319 -9.9098 -9.9098 -9.7838 -9.7838 -3.9345 -3.9345 -3.6581 -3.6581 -3.5574 -3.5574 -1.1822 -1.1822 -0.4656 -0.4656 -0.3477 -0.3477 -0.2429 -0.2429 0.3311 0.3311 1.3265 1.3265 1.4605 1.4605 1.8396 1.8396 1.9058 1.9058 2.5169 2.5169 2.8603 2.8603 3.2655 3.2655 3.5104 3.5104 3.9401 3.9401 4.0870 4.0870 9.5323 9.5323 9.5997 9.5997 9.8563 9.8563 10.1159 10.1159 10.8008 10.8008 k =-0.5000 0.3087 0.2595 ( 5028 PWs) bands (ev): -13.2370 -13.2370 -13.1569 -13.1569 -12.0690 -12.0690 -10.2669 -10.2669 -9.9145 -9.9145 -9.7821 -9.7821 -4.0361 -4.0361 -3.6141 -3.6141 -3.5075 -3.5075 -1.1368 -1.1368 -0.4962 -0.4962 -0.4172 -0.4172 -0.3176 -0.3176 0.3013 0.3013 1.3887 1.3887 1.4431 1.4431 1.8871 1.8871 1.9284 1.9284 2.5018 2.5018 2.8650 2.8650 3.2629 3.2629 3.5084 3.5084 3.9529 3.9529 4.1000 4.1000 9.4541 9.4541 9.6500 9.6500 9.9419 9.9419 10.0889 10.0889 10.8279 10.8279 k =-0.5000 0.3087 0.2422 ( 5020 PWs) bands (ev): -13.2397 -13.2397 -13.1560 -13.1560 -12.0998 -12.0998 -10.2035 -10.2035 -9.9190 -9.9190 -9.7805 -9.7805 -4.1345 -4.1345 -3.5682 -3.5682 -3.4559 -3.4559 -1.0948 -1.0948 -0.5291 -0.5291 -0.4848 -0.4848 -0.3935 -0.3935 0.2730 0.2730 1.4125 1.4125 1.4629 1.4629 1.9326 1.9326 1.9524 1.9524 2.4878 2.4878 2.8698 2.8698 3.2600 3.2600 3.5042 3.5042 3.9666 3.9666 4.1126 4.1126 9.3775 9.3775 9.6963 9.6963 10.0237 10.0237 10.0663 10.0663 10.8637 10.8637 k =-0.5000 0.3087 0.2249 ( 5004 PWs) bands (ev): -13.2424 -13.2424 -13.1551 -13.1551 -12.1286 -12.1286 -10.1418 -10.1418 -9.9233 -9.9233 -9.7791 -9.7791 -4.2292 -4.2292 -3.5208 -3.5208 -3.4030 -3.4030 -1.0561 -1.0561 -0.5787 -0.5787 -0.5368 -0.5368 -0.4685 -0.4685 0.2462 0.2462 1.3979 1.3979 1.5198 1.5198 1.9727 1.9727 1.9807 1.9807 2.4750 2.4750 2.8747 2.8747 3.2567 3.2567 3.4981 3.4981 3.9811 3.9811 4.1247 4.1247 9.3034 9.3034 9.7377 9.7377 10.0334 10.0334 10.1159 10.1159 10.9080 10.9080 k =-0.5000 0.3087 0.2076 ( 5002 PWs) bands (ev): -13.2449 -13.2449 -13.1544 -13.1544 -12.1552 -12.1552 -10.0823 -10.0823 -9.9273 -9.9273 -9.7778 -9.7778 -4.3197 -4.3197 -3.4723 -3.4723 -3.3491 -3.3491 -1.0207 -1.0207 -0.6475 -0.6475 -0.5775 -0.5775 -0.5345 -0.5345 0.2211 0.2211 1.3819 1.3819 1.5765 1.5765 1.9999 1.9999 2.0200 2.0200 2.4634 2.4634 2.8796 2.8796 3.2533 3.2533 3.4903 3.4903 3.9962 3.9962 4.1363 4.1363 9.2324 9.2324 9.7739 9.7739 10.0110 10.0110 10.1968 10.1968 10.9602 10.9602 k =-0.5000 0.3087 0.1903 ( 5008 PWs) bands (ev): -13.2473 -13.2473 -13.1537 -13.1537 -12.1798 -12.1798 -10.0254 -10.0254 -9.9311 -9.9311 -9.7767 -9.7767 -4.4056 -4.4056 -3.4231 -3.4231 -3.2946 -3.2946 -0.9887 -0.9887 -0.7202 -0.7202 -0.6392 -0.6392 -0.5730 -0.5730 0.1977 0.1977 1.3669 1.3669 1.6301 1.6301 2.0252 2.0252 2.0591 2.0591 2.4528 2.4528 2.8845 2.8845 3.2497 3.2497 3.4811 3.4811 4.0116 4.0116 4.1473 4.1473 9.1648 9.1648 9.8050 9.8050 9.9892 9.9892 10.2759 10.2759 11.0195 11.0195 k =-0.5000 0.3087 0.1730 ( 5018 PWs) bands (ev): -13.2495 -13.2495 -13.1531 -13.1531 -12.2024 -12.2024 -9.9715 -9.9715 -9.9345 -9.9345 -9.7757 -9.7757 -4.4863 -4.4863 -3.3738 -3.3738 -3.2400 -3.2400 -0.9603 -0.9603 -0.7926 -0.7926 -0.7116 -0.7116 -0.5965 -0.5965 0.1761 0.1761 1.3532 1.3532 1.6801 1.6801 2.0500 2.0500 2.0958 2.0958 2.4432 2.4432 2.8893 2.8893 3.2461 3.2461 3.4707 3.4707 4.0271 4.0271 4.1576 4.1576 9.1013 9.1013 9.8312 9.8312 9.9690 9.9690 10.3515 10.3515 11.0848 11.0848 k =-0.5000 0.3087 0.1557 ( 5022 PWs) bands (ev): -13.2515 -13.2515 -13.1526 -13.1526 -12.2228 -12.2228 -9.9385 -9.9385 -9.9202 -9.9202 -9.7747 -9.7747 -4.5614 -4.5614 -3.3250 -3.3250 -3.1860 -3.1860 -0.9378 -0.9378 -0.8609 -0.8609 -0.7839 -0.7839 -0.6155 -0.6155 0.1565 0.1565 1.3408 1.3408 1.7261 1.7261 2.0741 2.0741 2.1297 2.1297 2.4347 2.4347 2.8939 2.8939 3.2425 3.2425 3.4594 3.4594 4.0424 4.0424 4.1671 4.1671 9.0422 9.0422 9.8527 9.8527 9.9507 9.9507 10.4228 10.4228 11.1546 11.1546 k =-0.5000 0.3087 0.1384 ( 5016 PWs) bands (ev): -13.2533 -13.2533 -13.1522 -13.1522 -12.2410 -12.2410 -9.9411 -9.9411 -9.8739 -9.8739 -9.7738 -9.7738 -4.6303 -4.6303 -3.2773 -3.2773 -3.1332 -3.1332 -0.9488 -0.9488 -0.8970 -0.8970 -0.8530 -0.8530 -0.6318 -0.6318 0.1387 0.1387 1.3298 1.3298 1.7678 1.7678 2.0972 2.0972 2.1606 2.1606 2.4272 2.4272 2.8983 2.8983 3.2390 3.2390 3.4478 3.4478 4.0572 4.0572 4.1758 4.1758 8.9879 8.9879 9.8696 9.8696 9.9348 9.9348 10.4890 10.4890 11.2274 11.2274 k =-0.5000 0.3087 0.1211 ( 5028 PWs) bands (ev): -13.2550 -13.2550 -13.1518 -13.1518 -12.2572 -12.2572 -9.9437 -9.9437 -9.8317 -9.8317 -9.7728 -9.7728 -4.6925 -4.6925 -3.2317 -3.2317 -3.0825 -3.0825 -1.0076 -1.0076 -0.9220 -0.9220 -0.8808 -0.8808 -0.6460 -0.6460 0.1229 0.1229 1.3202 1.3202 1.8051 1.8051 2.1188 2.1188 2.1884 2.1884 2.4207 2.4207 2.9025 2.9025 3.2358 3.2358 3.4360 3.4360 4.0711 4.0711 4.1835 4.1835 8.9390 8.9390 9.8813 9.8813 9.9229 9.9229 10.5495 10.5495 11.3013 11.3013 k =-0.5000 0.3087 0.1038 ( 5022 PWs) bands (ev): -13.2564 -13.2564 -13.1514 -13.1514 -12.2712 -12.2712 -9.9460 -9.9460 -9.7953 -9.7953 -9.7707 -9.7707 -4.7477 -4.7477 -3.1888 -3.1888 -3.0348 -3.0348 -1.0676 -1.0676 -0.9819 -0.9819 -0.8655 -0.8655 -0.6581 -0.6581 0.1092 0.1092 1.3120 1.3120 1.8377 1.8377 2.1386 2.1386 2.2128 2.2128 2.4151 2.4151 2.9063 2.9063 3.2328 3.2328 3.4247 3.4247 4.0841 4.0841 4.1904 4.1904 8.8957 8.8957 9.8851 9.8851 9.9178 9.9178 10.6036 10.6036 11.3741 11.3741 k =-0.5000 0.3087 0.0865 ( 5014 PWs) bands (ev): -13.2577 -13.2577 -13.1512 -13.1512 -12.2831 -12.2831 -9.9480 -9.9480 -9.7762 -9.7762 -9.7563 -9.7563 -4.7952 -4.7952 -3.1499 -3.1499 -2.9913 -2.9913 -1.1226 -1.1226 -1.0361 -1.0361 -0.8513 -0.8513 -0.6682 -0.6682 0.0975 0.0975 1.3050 1.3050 1.8655 1.8655 2.1561 2.1561 2.2338 2.2338 2.4104 2.4104 2.9098 2.9098 3.2302 3.2302 3.4141 3.4141 4.0956 4.0956 4.1963 4.1963 8.8584 8.8584 9.8809 9.8809 9.9203 9.9203 10.6508 10.6508 11.4278 11.4278 k =-0.5000 0.3087 0.0692 ( 5008 PWs) bands (ev): -13.2587 -13.2587 -13.1510 -13.1510 -12.2928 -12.2928 -9.9496 -9.9496 -9.7738 -9.7738 -9.7308 -9.7308 -4.8347 -4.8347 -3.1160 -3.1160 -2.9531 -2.9531 -1.1705 -1.1705 -1.0830 -1.0830 -0.8393 -0.8393 -0.6765 -0.6765 0.0878 0.0878 1.2994 1.2994 1.8884 1.8884 2.1711 2.1711 2.2511 2.2511 2.4066 2.4066 2.9127 2.9127 3.2279 3.2279 3.4047 3.4047 4.1054 4.1054 4.2012 4.2012 8.8274 8.8274 9.8741 9.8741 9.9252 9.9252 10.6903 10.6903 11.4105 11.4105 k =-0.5000 0.3087 0.0519 ( 5000 PWs) bands (ev): -13.2595 -13.2595 -13.1508 -13.1508 -12.3004 -12.3004 -9.9509 -9.9509 -9.7731 -9.7731 -9.7095 -9.7095 -4.8658 -4.8658 -3.0881 -3.0881 -2.9216 -2.9216 -1.2097 -1.2097 -1.1210 -1.1210 -0.8300 -0.8300 -0.6830 -0.6830 0.0803 0.0803 1.2951 1.2951 1.9063 1.9063 2.1832 2.1832 2.2647 2.2647 2.4037 2.4037 2.9151 2.9151 3.2262 3.2262 3.3969 3.3969 4.1133 4.1133 4.2050 4.2050 8.8031 8.8031 9.8678 9.8678 9.9298 9.9298 10.7217 10.7217 11.3933 11.3933 k =-0.5000 0.3087 0.0346 ( 4988 PWs) bands (ev): -13.2601 -13.2601 -13.1507 -13.1507 -12.3058 -12.3058 -9.9518 -9.9518 -9.7727 -9.7727 -9.6939 -9.6939 -4.8883 -4.8883 -3.0673 -3.0673 -2.8981 -2.8981 -1.2389 -1.2389 -1.1491 -1.1491 -0.8233 -0.8233 -0.6875 -0.6875 0.0750 0.0750 1.2920 1.2920 1.9191 1.9191 2.1920 2.1920 2.2744 2.2744 2.4016 2.4016 2.9169 2.9169 3.2249 3.2249 3.3911 3.3911 4.1191 4.1191 4.2078 4.2078 8.7855 8.7855 9.8630 9.8630 9.9332 9.9332 10.7445 10.7445 11.3807 11.3807 k =-0.5000 0.3087 0.0173 ( 4988 PWs) bands (ev): -13.2604 -13.2604 -13.1506 -13.1506 -12.3090 -12.3090 -9.9524 -9.9524 -9.7725 -9.7725 -9.6844 -9.6844 -4.9019 -4.9019 -3.0544 -3.0544 -2.8834 -2.8834 -1.2569 -1.2569 -1.1664 -1.1664 -0.8193 -0.8193 -0.6903 -0.6903 0.0717 0.0717 1.2902 1.2902 1.9268 1.9268 2.1974 2.1974 2.2803 2.2803 2.4004 2.4004 2.9180 2.9180 3.2241 3.2241 3.3875 3.3875 4.1227 4.1227 4.2094 4.2094 8.7749 8.7749 9.8601 9.8601 9.9353 9.9353 10.7584 10.7584 11.3730 11.3730 k =-0.5000 0.3087 0.0000 ( 5000 PWs) bands (ev): -13.2605 -13.2605 -13.1506 -13.1506 -12.3101 -12.3101 -9.9526 -9.9526 -9.7725 -9.7725 -9.6812 -9.6812 -4.9064 -4.9064 -3.0501 -3.0501 -2.8785 -2.8785 -1.2631 -1.2631 -1.1722 -1.1722 -0.8180 -0.8180 -0.6912 -0.6912 0.0706 0.0706 1.2896 1.2896 1.9294 1.9294 2.1992 2.1992 2.2823 2.2823 2.3999 2.3999 2.9184 2.9184 3.2238 3.2238 3.3863 3.3863 4.1239 4.1239 4.2100 4.2100 8.7713 8.7713 9.8591 9.8591 9.9359 9.9359 10.7630 10.7630 11.3704 11.3704 k = 0.0000 0.0000 0.5362 ( 5018 PWs) bands (ev): -13.3947 -13.3947 -13.3947 -13.3947 -10.8534 -10.8534 -10.8534 -10.8534 -9.8326 -9.8326 -9.8326 -9.8326 -4.9061 -4.9061 -4.9061 -4.9061 -1.5474 -1.5474 -1.5474 -1.5474 -0.4395 -0.4395 -0.4395 -0.4395 0.1312 0.1312 0.1312 0.1312 1.1380 1.1380 1.1380 1.1380 2.1357 2.1357 2.1357 2.1357 3.1168 3.1168 3.1168 3.1168 3.7073 3.7073 3.7073 3.7073 3.9841 3.9841 3.9841 3.9841 8.8640 8.8640 8.8640 8.8640 9.1537 9.1537 9.1537 9.1537 11.4925 11.4925 k =-0.0147 0.0091 0.5362 ( 5010 PWs) bands (ev): -13.3944 -13.3944 -13.3943 -13.3943 -10.8545 -10.8545 -10.8544 -10.8544 -9.8327 -9.8327 -9.8323 -9.8323 -4.9050 -4.9050 -4.9041 -4.9041 -1.5494 -1.5494 -1.5481 -1.5481 -0.4404 -0.4404 -0.4368 -0.4368 0.1317 0.1317 0.1334 0.1334 1.1363 1.1363 1.1375 1.1375 2.1360 2.1360 2.1370 2.1370 3.1155 3.1155 3.1162 3.1162 3.7008 3.7008 3.7031 3.7031 3.9868 3.9868 3.9881 3.9881 8.8634 8.8634 8.8676 8.8676 9.1533 9.1533 9.1567 9.1567 11.4923 11.4924 k =-0.0294 0.0182 0.5362 ( 5014 PWs) bands (ev): -13.3933 -13.3933 -13.3931 -13.3931 -10.8577 -10.8577 -10.8573 -10.8573 -9.8327 -9.8327 -9.8319 -9.8319 -4.9008 -4.9008 -4.8990 -4.8990 -1.5540 -1.5540 -1.5514 -1.5514 -0.4396 -0.4396 -0.4324 -0.4324 0.1351 0.1351 0.1384 0.1384 1.1322 1.1322 1.1346 1.1346 2.1378 2.1378 2.1398 2.1398 3.1122 3.1122 3.1137 3.1137 3.6846 3.6846 3.6888 3.6888 3.9956 3.9956 3.9980 3.9980 8.8657 8.8657 8.8740 8.8740 9.1555 9.1555 9.1622 9.1622 11.4932 11.4933 k =-0.0441 0.0272 0.5362 ( 5018 PWs) bands (ev): -13.3915 -13.3915 -13.3912 -13.3912 -10.8629 -10.8629 -10.8624 -10.8624 -9.8326 -9.8326 -9.8313 -9.8313 -4.8935 -4.8935 -4.8909 -4.8909 -1.5612 -1.5612 -1.5574 -1.5574 -0.4369 -0.4369 -0.4263 -0.4263 0.1412 0.1412 0.1460 0.1460 1.1259 1.1259 1.1295 1.1295 2.1410 2.1410 2.1440 2.1440 3.1070 3.1070 3.1093 3.1093 3.6608 3.6608 3.6666 3.6666 4.0086 4.0086 4.0116 4.0116 8.8708 8.8708 8.8829 8.8829 9.1606 9.1606 9.1705 9.1705 11.4951 11.4951 k =-0.0588 0.0363 0.5362 ( 5008 PWs) bands (ev): -13.3889 -13.3889 -13.3885 -13.3885 -10.8701 -10.8701 -10.8694 -10.8694 -9.8323 -9.8323 -9.8306 -9.8306 -4.8832 -4.8832 -4.8798 -4.8798 -1.5709 -1.5709 -1.5660 -1.5660 -0.4324 -0.4324 -0.4186 -0.4186 0.1499 0.1499 0.1563 0.1563 1.1174 1.1174 1.1222 1.1222 2.1454 2.1454 2.1494 2.1494 3.0999 3.0999 3.1030 3.1030 3.6316 3.6316 3.6387 3.6387 4.0236 4.0236 4.0271 4.0271 8.8780 8.8780 8.8938 8.8938 9.1690 9.1690 9.1819 9.1819 11.4977 11.4977 k =-0.0735 0.0454 0.5362 ( 5004 PWs) bands (ev): -13.3855 -13.3855 -13.3851 -13.3851 -10.8791 -10.8791 -10.8783 -10.8783 -9.8318 -9.8318 -9.8298 -9.8298 -4.8699 -4.8699 -4.8656 -4.8656 -1.5831 -1.5831 -1.5772 -1.5772 -0.4260 -0.4260 -0.4093 -0.4093 0.1614 0.1614 0.1692 0.1692 1.1066 1.1066 1.1127 1.1127 2.1506 2.1506 2.1558 2.1558 3.0910 3.0910 3.0949 3.0949 3.5991 3.5991 3.6072 3.6072 4.0390 4.0390 4.0427 4.0427 8.8871 8.8871 8.9060 8.9060 9.1810 9.1810 9.1967 9.1967 11.5010 11.5010 k =-0.0882 0.0545 0.5362 ( 5004 PWs) bands (ev): -13.3815 -13.3815 -13.3810 -13.3810 -10.8900 -10.8900 -10.8890 -10.8890 -9.8313 -9.8313 -9.8290 -9.8290 -4.8537 -4.8537 -4.8486 -4.8486 -1.5976 -1.5976 -1.5909 -1.5909 -0.4177 -0.4177 -0.3985 -0.3985 0.1754 0.1754 0.1845 0.1845 1.0938 1.0938 1.1011 1.1011 2.1565 2.1565 2.1629 2.1629 3.0804 3.0804 3.0851 3.0851 3.5645 3.5645 3.5735 3.5735 4.0537 4.0537 4.0575 4.0575 8.8972 8.8972 8.9187 8.9187 9.1973 9.1973 9.2152 9.2152 11.5047 11.5047 k =-0.1029 0.0636 0.5362 ( 5012 PWs) bands (ev): -13.3768 -13.3768 -13.3762 -13.3762 -10.9025 -10.9025 -10.9014 -10.9014 -9.8308 -9.8308 -9.8281 -9.8281 -4.8346 -4.8346 -4.8288 -4.8288 -1.6144 -1.6144 -1.6070 -1.6070 -0.4076 -0.4076 -0.3861 -0.3861 0.1919 0.1919 0.2022 0.2022 1.0789 1.0789 1.0876 1.0876 2.1625 2.1625 2.1701 2.1701 3.0683 3.0683 3.0738 3.0738 3.5291 3.5291 3.5387 3.5387 4.0669 4.0669 4.0708 4.0708 8.9079 8.9079 8.9312 8.9312 9.2183 9.2183 9.2380 9.2380 11.5086 11.5086 k =-0.1176 0.0726 0.5362 ( 5016 PWs) bands (ev): -13.3714 -13.3714 -13.3707 -13.3707 -10.9166 -10.9166 -10.9153 -10.9153 -9.8302 -9.8302 -9.8272 -9.8272 -4.8128 -4.8128 -4.8062 -4.8062 -1.6333 -1.6333 -1.6254 -1.6254 -0.3957 -0.3957 -0.3723 -0.3723 0.2108 0.2108 0.2221 0.2221 1.0621 1.0621 1.0722 1.0722 2.1682 2.1682 2.1771 2.1771 3.0549 3.0549 3.0613 3.0613 3.4936 3.4936 3.5038 3.5038 4.0782 4.0782 4.0821 4.0821 8.9185 8.9185 8.9428 8.9428 9.2443 9.2443 9.2652 9.2652 11.5122 11.5122 k =-0.1324 0.0817 0.5362 ( 5016 PWs) bands (ev): -13.3653 -13.3653 -13.3646 -13.3646 -10.9321 -10.9321 -10.9308 -10.9308 -9.8296 -9.8296 -9.8264 -9.8264 -4.7883 -4.7883 -4.7811 -4.7811 -1.6543 -1.6543 -1.6460 -1.6460 -0.3820 -0.3820 -0.3572 -0.3572 0.2319 0.2319 0.2442 0.2442 1.0434 1.0434 1.0549 1.0549 2.1730 2.1730 2.1833 2.1833 3.0407 3.0407 3.0479 3.0479 3.4587 3.4587 3.4693 3.4693 4.0874 4.0874 4.0913 4.0913 8.9286 8.9286 8.9532 8.9532 9.2754 9.2754 9.2969 9.2969 11.5154 11.5154 k =-0.1471 0.0908 0.5362 ( 5002 PWs) bands (ev): -13.3587 -13.3587 -13.3579 -13.3579 -10.9489 -10.9489 -10.9475 -10.9475 -9.8290 -9.8290 -9.8256 -9.8256 -4.7613 -4.7613 -4.7534 -4.7534 -1.6772 -1.6772 -1.6686 -1.6686 -0.3668 -0.3668 -0.3407 -0.3407 0.2552 0.2552 0.2684 0.2684 1.0230 1.0230 1.0360 1.0360 2.1764 2.1764 2.1881 2.1881 3.0260 3.0260 3.0341 3.0341 3.4249 3.4249 3.4358 3.4358 4.0943 4.0943 4.0981 4.0981 8.9379 8.9379 8.9621 8.9621 9.3113 9.3113 9.3333 9.3333 11.5178 11.5178 k =-0.1618 0.0999 0.5362 ( 5006 PWs) bands (ev): -13.3515 -13.3515 -13.3507 -13.3507 -10.9668 -10.9668 -10.9653 -10.9653 -9.8285 -9.8285 -9.8249 -9.8249 -4.7318 -4.7318 -4.7234 -4.7234 -1.7018 -1.7018 -1.6931 -1.6931 -0.3499 -0.3499 -0.3231 -0.3231 0.2804 0.2804 0.2946 0.2946 1.0008 1.0008 1.0155 1.0155 2.1778 2.1778 2.1909 2.1909 3.0115 3.0115 3.0204 3.0204 3.3927 3.3927 3.4036 3.4036 4.0988 4.0988 4.1027 4.1027 8.9463 8.9463 8.9697 8.9697 9.3516 9.3516 9.3739 9.3739 11.5189 11.5189 k =-0.1765 0.1089 0.5362 ( 5010 PWs) bands (ev): -13.3439 -13.3439 -13.3430 -13.3430 -10.9858 -10.9858 -10.9842 -10.9842 -9.8280 -9.8280 -9.8243 -9.8243 -4.7001 -4.7001 -4.6911 -4.6911 -1.7281 -1.7281 -1.7194 -1.7194 -0.3317 -0.3317 -0.3043 -0.3043 0.3075 0.3075 0.3226 0.3226 0.9772 0.9772 0.9935 0.9935 2.1767 2.1767 2.1912 2.1912 2.9977 2.9977 3.0073 3.0073 3.3622 3.3622 3.3730 3.3730 4.1010 4.1010 4.1049 4.1049 8.9537 8.9537 8.9760 8.9760 9.3958 9.3958 9.4184 9.4184 11.5186 11.5186 k =-0.1912 0.1180 0.5362 ( 5000 PWs) bands (ev): -13.3357 -13.3357 -13.3348 -13.3348 -11.0055 -11.0055 -11.0039 -11.0039 -9.8276 -9.8276 -9.8239 -9.8239 -4.6663 -4.6663 -4.6568 -4.6568 -1.7559 -1.7559 -1.7473 -1.7473 -0.3121 -0.3121 -0.2844 -0.2844 0.3363 0.3363 0.3524 0.3524 0.9521 0.9521 0.9701 0.9701 2.1725 2.1725 2.1885 2.1885 2.9851 2.9851 2.9953 2.9953 3.3336 3.3336 3.3442 3.3442 4.1010 4.1010 4.1049 4.1049 8.9603 8.9603 8.9813 8.9813 9.4433 9.4433 9.4665 9.4665 11.5164 11.5164 k =-0.2059 0.1271 0.5362 ( 5000 PWs) bands (ev): -13.3272 -13.3272 -13.3262 -13.3262 -11.0258 -11.0258 -11.0242 -11.0242 -9.8273 -9.8273 -9.8235 -9.8235 -4.6305 -4.6305 -4.6207 -4.6207 -1.7851 -1.7851 -1.7767 -1.7767 -0.2914 -0.2914 -0.2637 -0.2637 0.3665 0.3665 0.3837 0.3837 0.9257 0.9257 0.9456 0.9456 2.1650 2.1650 2.1822 2.1822 2.9743 2.9743 2.9849 2.9849 3.3073 3.3073 3.3174 3.3174 4.0988 4.0988 4.1028 4.1028 8.9662 8.9662 8.9858 8.9858 9.4936 9.4936 9.5175 9.5175 11.5122 11.5122 k =-0.2206 0.1362 0.5362 ( 5008 PWs) bands (ev): -13.3183 -13.3183 -13.3173 -13.3173 -11.0467 -11.0467 -11.0450 -11.0450 -9.8271 -9.8271 -9.8233 -9.8233 -4.5931 -4.5931 -4.5828 -4.5828 -1.8155 -1.8155 -1.8073 -1.8073 -0.2697 -0.2697 -0.2421 -0.2421 0.3980 0.3980 0.4165 0.4165 0.8983 0.8983 0.9201 0.9201 2.1538 2.1538 2.1723 2.1723 2.9653 2.9653 2.9761 2.9761 3.2832 3.2832 3.2928 3.2928 4.0946 4.0946 4.0987 4.0987 8.9713 8.9713 8.9896 8.9896 9.5462 9.5462 9.5710 9.5710 11.5058 11.5058 k =-0.2353 0.1453 0.5362 ( 5000 PWs) bands (ev): -13.3091 -13.3091 -13.3081 -13.3081 -11.0678 -11.0678 -11.0662 -11.0662 -9.8271 -9.8271 -9.8233 -9.8233 -4.5541 -4.5541 -4.5436 -4.5436 -1.8469 -1.8469 -1.8390 -1.8390 -0.2470 -0.2470 -0.2198 -0.2198 0.4304 0.4304 0.4504 0.4504 0.8699 0.8699 0.8939 0.8939 2.1390 2.1390 2.1586 2.1586 2.9582 2.9582 2.9690 2.9690 3.2618 3.2618 3.2707 3.2707 4.0886 4.0886 4.0927 4.0927 8.9759 8.9759 8.9929 8.9929 9.6005 9.6005 9.6264 9.6264 11.4968 11.4968 k =-0.2500 0.1543 0.5362 ( 5000 PWs) bands (ev): -13.2997 -13.2997 -13.2986 -13.2986 -11.0891 -11.0891 -11.0875 -11.0875 -9.8271 -9.8271 -9.8234 -9.8234 -4.5139 -4.5139 -4.5031 -4.5031 -1.8792 -1.8792 -1.8716 -1.8716 -0.2236 -0.2236 -0.1968 -0.1968 0.4632 0.4632 0.4852 0.4852 0.8411 0.8411 0.8675 0.8675 2.1208 2.1208 2.1414 2.1414 2.9525 2.9525 2.9630 2.9630 3.2433 3.2433 3.2515 3.2515 4.0809 4.0809 4.0852 4.0852 8.9800 8.9800 8.9958 8.9958 9.6563 9.6563 9.6833 9.6833 11.4852 11.4852 k =-0.2647 0.1634 0.5362 ( 5006 PWs) bands (ev): -13.2902 -13.2902 -13.2891 -13.2891 -11.1104 -11.1104 -11.1087 -11.1087 -9.8273 -9.8273 -9.8236 -9.8236 -4.4726 -4.4726 -4.4617 -4.4617 -1.9122 -1.9122 -1.9049 -1.9049 -0.1995 -0.1995 -0.1733 -0.1733 0.4956 0.4956 0.5202 0.5202 0.8123 0.8123 0.8416 0.8416 2.0995 2.0995 2.1209 2.1209 2.9476 2.9476 2.9575 2.9575 3.2283 3.2283 3.2356 3.2356 4.0718 4.0718 4.0761 4.0761 8.9838 8.9838 8.9984 8.9984 9.7130 9.7130 9.7413 9.7413 11.4709 11.4709 k =-0.2794 0.1725 0.5362 ( 4998 PWs) bands (ev): -13.2806 -13.2806 -13.2795 -13.2795 -11.1314 -11.1314 -11.1298 -11.1298 -9.8275 -9.8275 -9.8240 -9.8240 -4.4306 -4.4306 -4.4196 -4.4196 -1.9457 -1.9457 -1.9388 -1.9388 -0.1749 -0.1749 -0.1493 -0.1493 0.5265 0.5265 0.5543 0.5543 0.7846 0.7846 0.8172 0.8172 2.0755 2.0755 2.0977 2.0977 2.9425 2.9425 2.9518 2.9518 3.2172 3.2172 3.2237 3.2237 4.0613 4.0613 4.0657 4.0657 8.9872 8.9872 9.0008 9.0008 9.7702 9.7702 9.7998 9.7998 11.4539 11.4539 k =-0.2941 0.1816 0.5362 ( 5002 PWs) bands (ev): -13.2710 -13.2710 -13.2699 -13.2699 -11.1521 -11.1521 -11.1506 -11.1506 -9.8278 -9.8278 -9.8244 -9.8244 -4.3881 -4.3881 -4.3772 -4.3772 -1.9795 -1.9795 -1.9729 -1.9729 -0.1498 -0.1498 -0.1250 -0.1250 0.5536 0.5536 0.5853 0.5853 0.7603 0.7603 0.7966 0.7966 2.0493 2.0493 2.0722 2.0722 2.9363 2.9363 2.9449 2.9449 3.2104 3.2104 3.2163 3.2163 4.0497 4.0497 4.0542 4.0542 8.9905 8.9905 9.0029 9.0029 9.8278 9.8278 9.8586 9.8586 11.4339 11.4339 k =-0.3088 0.1907 0.5362 ( 5006 PWs) bands (ev): -13.2615 -13.2615 -13.2605 -13.2605 -11.1723 -11.1723 -11.1708 -11.1708 -9.8282 -9.8282 -9.8250 -9.8250 -4.3455 -4.3455 -4.3347 -4.3347 -2.0134 -2.0134 -2.0071 -2.0071 -0.1244 -0.1244 -0.1002 -0.1002 0.5732 0.5732 0.6078 0.6078 0.7448 0.7448 0.7832 0.7832 2.0216 2.0216 2.0449 2.0449 2.9284 2.9284 2.9364 2.9364 3.2080 3.2080 3.2135 3.2135 4.0373 4.0373 4.0418 4.0418 8.9935 8.9935 9.0049 9.0049 9.8853 9.8853 9.9173 9.9173 11.4112 11.4112 k =-0.3235 0.1997 0.5362 ( 5004 PWs) bands (ev): -13.2523 -13.2523 -13.2512 -13.2512 -11.1917 -11.1917 -11.1903 -11.1903 -9.8287 -9.8287 -9.8256 -9.8256 -4.3032 -4.3032 -4.2925 -4.2925 -2.0470 -2.0470 -2.0411 -2.0411 -0.0987 -0.0987 -0.0752 -0.0752 0.5805 0.5805 0.6131 0.6131 0.7466 0.7466 0.7818 0.7818 1.9928 1.9928 2.0164 2.0164 2.9184 2.9184 2.9258 2.9258 3.2100 3.2100 3.2153 3.2153 4.0241 4.0241 4.0286 4.0286 8.9963 8.9963 9.0068 9.0068 9.9424 9.9424 9.9755 9.9755 11.3858 11.3858 k =-0.3382 0.2088 0.5362 ( 5002 PWs) bands (ev): -13.2433 -13.2433 -13.2423 -13.2423 -11.2103 -11.2103 -11.2089 -11.2089 -9.8292 -9.8292 -9.8263 -9.8263 -4.2615 -4.2615 -4.2511 -4.2511 -2.0802 -2.0802 -2.0746 -2.0746 -0.0728 -0.0728 -0.0499 -0.0499 0.5733 0.5733 0.6002 0.6002 0.7668 0.7668 0.7942 0.7942 1.9635 1.9635 1.9871 1.9871 2.9065 2.9065 2.9134 2.9134 3.2159 3.2159 3.2210 3.2210 4.0105 4.0105 4.0150 4.0150 8.9990 8.9990 9.0086 9.0086 9.9988 9.9988 10.0329 10.0329 11.3579 11.3579 k =-0.3529 0.2179 0.5362 ( 5010 PWs) bands (ev): -13.2347 -13.2347 -13.2337 -13.2337 -11.2279 -11.2279 -11.2266 -11.2266 -9.8297 -9.8297 -9.8270 -9.8270 -4.2208 -4.2208 -4.2108 -4.2108 -2.1126 -2.1126 -2.1073 -2.1073 -0.0466 -0.0466 -0.0243 -0.0243 0.5545 0.5545 0.5772 0.5772 0.7970 0.7970 0.8175 0.8175 1.9341 1.9341 1.9576 1.9576 2.8931 2.8931 2.8996 2.8996 3.2249 3.2249 3.2300 3.2300 3.9967 3.9967 4.0011 4.0011 9.0016 9.0016 9.0102 9.0102 10.0543 10.0543 10.0891 10.0891 11.3277 11.3277 k =-0.3676 0.2270 0.5362 ( 5018 PWs) bands (ev): -13.2265 -13.2265 -13.2256 -13.2256 -11.2443 -11.2443 -11.2431 -11.2431 -9.8302 -9.8302 -9.8278 -9.8278 -4.1816 -4.1816 -4.1722 -4.1722 -2.1438 -2.1438 -2.1388 -2.1388 -0.0203 -0.0203 0.0015 0.0015 0.5288 0.5288 0.5496 0.5496 0.8308 0.8308 0.8472 0.8472 1.9050 1.9050 1.9282 1.9282 2.8788 2.8788 2.8848 2.8848 3.2362 3.2362 3.2411 3.2411 3.9829 3.9829 3.9872 3.9872 9.0040 9.0040 9.0117 9.0117 10.1085 10.1085 10.1437 10.1437 11.2959 11.2959 k =-0.3824 0.2361 0.5362 ( 5018 PWs) bands (ev): -13.2189 -13.2189 -13.2181 -13.2181 -11.2594 -11.2594 -11.2583 -11.2583 -9.8307 -9.8307 -9.8285 -9.8285 -4.1444 -4.1444 -4.1356 -4.1356 -2.1734 -2.1734 -2.1688 -2.1688 0.0061 0.0061 0.0275 0.0275 0.4996 0.4996 0.5199 0.5199 0.8656 0.8656 0.8797 0.8797 1.8768 1.8768 1.8993 1.8993 2.8643 2.8643 2.8697 2.8697 3.2491 3.2491 3.2537 3.2537 3.9694 3.9694 3.9735 3.9735 9.0062 9.0062 9.0131 9.0131 10.1610 10.1610 10.1963 10.1963 11.2629 11.2629 k =-0.3971 0.2451 0.5362 ( 5026 PWs) bands (ev): -13.2120 -13.2120 -13.2113 -13.2113 -11.2731 -11.2731 -11.2721 -11.2721 -9.8312 -9.8312 -9.8293 -9.8293 -4.1097 -4.1097 -4.1017 -4.1017 -2.2011 -2.2011 -2.1969 -2.1969 0.0327 0.0327 0.0537 0.0537 0.4688 0.4688 0.4892 0.4892 0.8998 0.8998 0.9125 0.9125 1.8500 1.8500 1.8713 1.8713 2.8501 2.8501 2.8549 2.8549 3.2626 3.2626 3.2669 3.2669 3.9565 3.9565 3.9603 3.9603 9.0083 9.0083 9.0143 9.0143 10.2114 10.2114 10.2462 10.2462 11.2296 11.2296 k =-0.4118 0.2542 0.5362 ( 5028 PWs) bands (ev): -13.2058 -13.2058 -13.2051 -13.2051 -11.2852 -11.2852 -11.2843 -11.2843 -9.8316 -9.8316 -9.8299 -9.8299 -4.0781 -4.0781 -4.0709 -4.0709 -2.2263 -2.2263 -2.2226 -2.2226 0.0593 0.0593 0.0800 0.0800 0.4376 0.4376 0.4580 0.4580 0.9325 0.9325 0.9442 0.9442 1.8250 1.8250 1.8448 1.8448 2.8368 2.8368 2.8410 2.8410 3.2760 3.2760 3.2799 3.2799 3.9444 3.9444 3.9479 3.9479 9.0102 9.0102 9.0153 9.0153 10.2592 10.2592 10.2927 10.2927 11.1969 11.1969 k =-0.4265 0.2633 0.5362 ( 5028 PWs) bands (ev): -13.2003 -13.2003 -13.1998 -13.1998 -11.2956 -11.2956 -11.2949 -11.2949 -9.8320 -9.8320 -9.8306 -9.8306 -4.0499 -4.0499 -4.0437 -4.0437 -2.2487 -2.2487 -2.2454 -2.2454 0.0860 0.0860 0.1063 0.1063 0.4066 0.4066 0.4269 0.4269 0.9628 0.9628 0.9735 0.9735 1.8024 1.8024 1.8202 1.8202 2.8247 2.8247 2.8283 2.8283 3.2887 3.2887 3.2921 3.2921 3.9335 3.9335 3.9366 3.9366 9.0119 9.0119 9.0162 9.0162 10.3036 10.3036 10.3350 10.3350 11.1661 11.1661 k =-0.4412 0.2724 0.5362 ( 5032 PWs) bands (ev): -13.1958 -13.1958 -13.1954 -13.1954 -11.3043 -11.3043 -11.3037 -11.3037 -9.8323 -9.8323 -9.8311 -9.8311 -4.0259 -4.0259 -4.0208 -4.0208 -2.2676 -2.2676 -2.2649 -2.2649 0.1126 0.1126 0.1322 0.1322 0.3764 0.3764 0.3963 0.3963 0.9898 0.9898 0.9991 0.9991 1.7830 1.7830 1.7982 1.7982 2.8144 2.8144 2.8172 2.8172 3.3001 3.3001 3.3029 3.3029 3.9241 3.9241 3.9267 3.9267 9.0135 9.0135 9.0169 9.0169 10.3437 10.3437 10.3718 10.3718 11.1386 11.1386 k =-0.4559 0.2814 0.5362 ( 5038 PWs) bands (ev): -13.1922 -13.1922 -13.1919 -13.1919 -11.3111 -11.3111 -11.3107 -11.3107 -9.8325 -9.8325 -9.8316 -9.8316 -4.0065 -4.0065 -4.0025 -4.0025 -2.2828 -2.2828 -2.2807 -2.2807 0.1387 0.1387 0.1573 0.1573 0.3479 0.3479 0.3669 0.3669 1.0125 1.0125 1.0200 1.0200 1.7673 1.7673 1.7795 1.7795 2.8061 2.8061 2.8082 2.8082 3.3096 3.3096 3.3118 3.3118 3.9164 3.9164 3.9185 3.9185 9.0147 9.0147 9.0173 9.0173 10.3785 10.3785 10.4017 10.4017 11.1159 11.1159 k =-0.4706 0.2905 0.5362 ( 5034 PWs) bands (ev): -13.1896 -13.1896 -13.1893 -13.1893 -11.3160 -11.3160 -11.3157 -11.3157 -9.8326 -9.8326 -9.8320 -9.8320 -3.9921 -3.9921 -3.9894 -3.9894 -2.2939 -2.2939 -2.2924 -2.2924 0.1635 0.1635 0.1799 0.1799 0.3228 0.3228 0.3395 0.3395 1.0300 1.0300 1.0353 1.0353 1.7562 1.7562 1.7647 1.7647 2.8001 2.8001 2.8015 2.8015 3.3169 3.3169 3.3183 3.3183 3.9109 3.9109 3.9123 3.9123 9.0158 9.0158 9.0175 9.0175 10.4064 10.4064 10.4231 10.4231 11.0999 11.0999 k =-0.4853 0.2996 0.5362 ( 5042 PWs) bands (ev): -13.1879 -13.1879 -13.1878 -13.1878 -11.3189 -11.3189 -11.3188 -11.3188 -9.8326 -9.8326 -9.8323 -9.8323 -3.9830 -3.9830 -3.9816 -3.9816 -2.3005 -2.3005 -2.2997 -2.2997 0.1851 0.1851 0.1960 0.1960 0.3052 0.3052 0.3163 0.3163 1.0415 1.0415 1.0443 1.0443 1.7502 1.7502 1.7545 1.7545 2.7965 2.7965 2.7972 2.7972 3.3215 3.3215 3.3223 3.3223 3.9076 3.9076 3.9083 3.9083 9.0166 9.0166 9.0175 9.0175 10.4259 10.4259 10.4347 10.4347 11.0919 11.0919 k =-0.5000 0.3087 0.5362 ( 5040 PWs) bands (ev): -13.1874 -13.1874 -13.1874 -13.1874 -11.3198 -11.3198 -11.3198 -11.3198 -9.8325 -9.8325 -9.8325 -9.8325 -3.9795 -3.9795 -3.9795 -3.9795 -2.3024 -2.3024 -2.3024 -2.3024 0.1982 0.1982 0.1982 0.1982 0.3025 0.3025 0.3025 0.3025 1.0463 1.0463 1.0463 1.0463 1.7496 1.7496 1.7496 1.7496 2.7956 2.7956 2.7956 2.7956 3.3233 3.3233 3.3233 3.3233 3.9067 3.9067 3.9067 3.9067 9.0172 9.0172 9.0172 9.0172 10.4357 10.4357 10.4357 10.4357 11.0929 11.0929 Writing output data file Ge2N2O.save init_run : 2.65s CPU 11.11s WALL ( 1 calls) electrons : 1131.35s CPU 1142.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.26s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 1131.33s CPU 1141.94s WALL ( 1 calls) v_of_rho : 0.13s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.13s CPU 0.64s WALL ( 1 calls) newd : 0.40s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 354 calls) cegterg : 1046.86s CPU 1053.47s WALL ( 1209 calls) Called by sum_band: Called by *egterg: h_psi : 369.35s CPU 381.70s WALL ( 22946 calls) s_psi : 29.22s CPU 29.94s WALL ( 22946 calls) g_psi : 1.00s CPU 1.11s WALL ( 21383 calls) cdiaghg : 483.38s CPU 478.13s WALL ( 21737 calls) cegterg:over : 86.79s CPU 84.21s WALL ( 21383 calls) cegterg:upda : 19.88s CPU 25.72s WALL ( 21383 calls) cegterg:last : 16.48s CPU 17.42s WALL ( 2612 calls) Called by h_psi: h_psi:vloc : 287.23s CPU 297.97s WALL ( 22946 calls) h_psi:vnl : 81.61s CPU 82.45s WALL ( 22946 calls) add_vuspsi : 23.07s CPU 27.45s WALL ( 22946 calls) General routines calbec : 58.47s CPU 54.77s WALL ( 22946 calls) fft : 0.27s CPU 1.03s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 269.49s CPU 277.56s WALL ( 1704872 calls) interpolate : 0.03s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 4.63s WALL ( 708 calls) Parallel routines fft_scatter : 168.57s CPU 177.80s WALL ( 1704895 calls) PWSCF : 20m12.21s CPU 28m10.54s WALL This run was terminated on: 17:41:21 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=