Program PWSCF v.5.1.1 starts on 14Oct2015 at 13:25:56 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: ./CaBiAu.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 19 5 2740 765 119 Max 47 20 6 2751 796 128 Sum 2233 955 283 131753 37625 5905 bravais-lattice index = 14 lattice parameter (alat) = 8.7543 a.u. unit-cell volume = 892.8227 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.754345 celldm(2)= 1.000000 celldm(3)= 1.536610 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.536610 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.650783 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /home/autes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Bi 5.00 208.98040 Bi( 1.00) Ca 10.00 40.07800 Ca( 1.00) Au 11.00 196.96660 Au( 1.00) 12 Sym. Ops. (no inversion) found ( 6 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 ) ( 0.7683051 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7683051 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7683051 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7683051 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7683051 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7683051 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0033784 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033784 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0033784 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0033784 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0033784 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0033784 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0033784 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0033784 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0033784 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0033784 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0033784 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0033784 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0033784 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0033784 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0033784 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0033784 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033784 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0033784 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0033784 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0033784 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0033784 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0033784 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0033784 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0033784 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0033784 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0033784 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0033784 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0033784 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0033784 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0033784 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0033784 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0033784 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0033784 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0033784 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0033784 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0033784 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0033784 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0033784 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0033784 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0033784 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0033784 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0033784 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0033784 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0033784 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0033784 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0033784 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0033784 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0033784 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0033784 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0033784 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0033784 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0033784 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0033784 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0033784 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0033784 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0033784 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0033784 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0033784 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0033784 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0033784 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0033784 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0033784 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0033784 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0033784 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0033784 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0033784 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033784 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0033784 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0033784 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0033784 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0033784 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0033784 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0033784 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0033784 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0033784 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0033784 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0033784 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0033784 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0033784 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0033784 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0033784 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0033784 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0033784 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0033784 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0033784 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.0141475), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0282949), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0424424), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0565898), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0707373), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0848848), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0990322), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1131797), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1273271), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.1414746), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1556221), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.1697695), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.1839170), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.1980644), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.2122119), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.2263594), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.2405068), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.2546543), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.2688017), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.2829492), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.2970967), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.3112441), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.3253916), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.3253916), wk = 0.0033784 k( 138) = ( 0.0125000 0.0072169 0.3253916), wk = 0.0033784 k( 139) = ( 0.0250000 0.0144338 0.3253916), wk = 0.0033784 k( 140) = ( 0.0375000 0.0216506 0.3253916), wk = 0.0033784 k( 141) = ( 0.0500000 0.0288675 0.3253916), wk = 0.0033784 k( 142) = ( 0.0625000 0.0360844 0.3253916), wk = 0.0033784 k( 143) = ( 0.0750000 0.0433013 0.3253916), wk = 0.0033784 k( 144) = ( 0.0875000 0.0505181 0.3253916), wk = 0.0033784 k( 145) = ( 0.1000000 0.0577350 0.3253916), wk = 0.0033784 k( 146) = ( 0.1125000 0.0649519 0.3253916), wk = 0.0033784 k( 147) = ( 0.1250000 0.0721688 0.3253916), wk = 0.0033784 k( 148) = ( 0.1375000 0.0793857 0.3253916), wk = 0.0033784 k( 149) = ( 0.1500000 0.0866025 0.3253916), wk = 0.0033784 k( 150) = ( 0.1625000 0.0938194 0.3253916), wk = 0.0033784 k( 151) = ( 0.1750000 0.1010363 0.3253916), wk = 0.0033784 k( 152) = ( 0.1875000 0.1082532 0.3253916), wk = 0.0033784 k( 153) = ( 0.2000000 0.1154701 0.3253916), wk = 0.0033784 k( 154) = ( 0.2125000 0.1226869 0.3253916), wk = 0.0033784 k( 155) = ( 0.2250000 0.1299038 0.3253916), wk = 0.0033784 k( 156) = ( 0.2375000 0.1371207 0.3253916), wk = 0.0033784 k( 157) = ( 0.2500000 0.1443376 0.3253916), wk = 0.0033784 k( 158) = ( 0.2625000 0.1515544 0.3253916), wk = 0.0033784 k( 159) = ( 0.2750000 0.1587713 0.3253916), wk = 0.0033784 k( 160) = ( 0.2875000 0.1659882 0.3253916), wk = 0.0033784 k( 161) = ( 0.3000000 0.1732051 0.3253916), wk = 0.0033784 k( 162) = ( 0.3125000 0.1804220 0.3253916), wk = 0.0033784 k( 163) = ( 0.3250000 0.1876388 0.3253916), wk = 0.0033784 k( 164) = ( 0.3375000 0.1948557 0.3253916), wk = 0.0033784 k( 165) = ( 0.3500000 0.2020726 0.3253916), wk = 0.0033784 k( 166) = ( 0.3625000 0.2092895 0.3253916), wk = 0.0033784 k( 167) = ( 0.3750000 0.2165064 0.3253916), wk = 0.0033784 k( 168) = ( 0.3875000 0.2237232 0.3253916), wk = 0.0033784 k( 169) = ( 0.4000000 0.2309401 0.3253916), wk = 0.0033784 k( 170) = ( 0.4125000 0.2381570 0.3253916), wk = 0.0033784 k( 171) = ( 0.4250000 0.2453739 0.3253916), wk = 0.0033784 k( 172) = ( 0.4375000 0.2525907 0.3253916), wk = 0.0033784 k( 173) = ( 0.4500000 0.2598076 0.3253916), wk = 0.0033784 k( 174) = ( 0.4625000 0.2670245 0.3253916), wk = 0.0033784 k( 175) = ( 0.4750000 0.2742414 0.3253916), wk = 0.0033784 k( 176) = ( 0.4875000 0.2814583 0.3253916), wk = 0.0033784 k( 177) = ( 0.5000000 0.2886751 0.3253916), wk = 0.0033784 k( 178) = ( 0.5000000 0.2886751 0.3253916), wk = 0.0033784 k( 179) = ( 0.4927536 0.3012262 0.3253916), wk = 0.0033784 k( 180) = ( 0.4855073 0.3137773 0.3253916), wk = 0.0033784 k( 181) = ( 0.4782609 0.3263284 0.3253916), wk = 0.0033784 k( 182) = ( 0.4710145 0.3388795 0.3253916), wk = 0.0033784 k( 183) = ( 0.4637681 0.3514306 0.3253916), wk = 0.0033784 k( 184) = ( 0.4565217 0.3639817 0.3253916), wk = 0.0033784 k( 185) = ( 0.4492754 0.3765328 0.3253916), wk = 0.0033784 k( 186) = ( 0.4420290 0.3890839 0.3253916), wk = 0.0033784 k( 187) = ( 0.4347826 0.4016350 0.3253916), wk = 0.0033784 k( 188) = ( 0.4275362 0.4141861 0.3253916), wk = 0.0033784 k( 189) = ( 0.4202899 0.4267372 0.3253916), wk = 0.0033784 k( 190) = ( 0.4130435 0.4392882 0.3253916), wk = 0.0033784 k( 191) = ( 0.4057971 0.4518393 0.3253916), wk = 0.0033784 k( 192) = ( 0.3985507 0.4643904 0.3253916), wk = 0.0033784 k( 193) = ( 0.3913044 0.4769415 0.3253916), wk = 0.0033784 k( 194) = ( 0.3840580 0.4894926 0.3253916), wk = 0.0033784 k( 195) = ( 0.3768116 0.5020437 0.3253916), wk = 0.0033784 k( 196) = ( 0.3695652 0.5145948 0.3253916), wk = 0.0033784 k( 197) = ( 0.3623188 0.5271459 0.3253916), wk = 0.0033784 k( 198) = ( 0.3550725 0.5396970 0.3253916), wk = 0.0033784 k( 199) = ( 0.3478261 0.5522481 0.3253916), wk = 0.0033784 k( 200) = ( 0.3405797 0.5647992 0.3253916), wk = 0.0033784 k( 201) = ( 0.3333333 0.5773503 0.3253916), wk = 0.0033784 k( 202) = ( 0.3333333 0.5773503 0.3253916), wk = 0.0033784 k( 203) = ( 0.3260870 0.5647992 0.3253916), wk = 0.0033784 k( 204) = ( 0.3188406 0.5522481 0.3253916), wk = 0.0033784 k( 205) = ( 0.3115942 0.5396970 0.3253916), wk = 0.0033784 k( 206) = ( 0.3043478 0.5271459 0.3253916), wk = 0.0033784 k( 207) = ( 0.2971014 0.5145948 0.3253916), wk = 0.0033784 k( 208) = ( 0.2898551 0.5020437 0.3253916), wk = 0.0033784 k( 209) = ( 0.2826087 0.4894926 0.3253916), wk = 0.0033784 k( 210) = ( 0.2753623 0.4769415 0.3253916), wk = 0.0033784 k( 211) = ( 0.2681159 0.4643904 0.3253916), wk = 0.0033784 k( 212) = ( 0.2608696 0.4518393 0.3253916), wk = 0.0033784 k( 213) = ( 0.2536232 0.4392883 0.3253916), wk = 0.0033784 k( 214) = ( 0.2463768 0.4267372 0.3253916), wk = 0.0033784 k( 215) = ( 0.2391304 0.4141861 0.3253916), wk = 0.0033784 k( 216) = ( 0.2318841 0.4016350 0.3253916), wk = 0.0033784 k( 217) = ( 0.2246377 0.3890839 0.3253916), wk = 0.0033784 k( 218) = ( 0.2173913 0.3765328 0.3253916), wk = 0.0033784 k( 219) = ( 0.2101449 0.3639817 0.3253916), wk = 0.0033784 k( 220) = ( 0.2028986 0.3514306 0.3253916), wk = 0.0033784 k( 221) = ( 0.1956522 0.3388795 0.3253916), wk = 0.0033784 k( 222) = ( 0.1884058 0.3263284 0.3253916), wk = 0.0033784 k( 223) = ( 0.1811594 0.3137773 0.3253916), wk = 0.0033784 k( 224) = ( 0.1739130 0.3012262 0.3253916), wk = 0.0033784 k( 225) = ( 0.1666667 0.2886751 0.3253916), wk = 0.0033784 k( 226) = ( 0.1594203 0.2761240 0.3253916), wk = 0.0033784 k( 227) = ( 0.1521739 0.2635729 0.3253916), wk = 0.0033784 k( 228) = ( 0.1449275 0.2510219 0.3253916), wk = 0.0033784 k( 229) = ( 0.1376812 0.2384708 0.3253916), wk = 0.0033784 k( 230) = ( 0.1304348 0.2259197 0.3253916), wk = 0.0033784 k( 231) = ( 0.1231884 0.2133686 0.3253916), wk = 0.0033784 k( 232) = ( 0.1159420 0.2008175 0.3253916), wk = 0.0033784 k( 233) = ( 0.1086957 0.1882664 0.3253916), wk = 0.0033784 k( 234) = ( 0.1014493 0.1757153 0.3253916), wk = 0.0033784 k( 235) = ( 0.0942029 0.1631642 0.3253916), wk = 0.0033784 k( 236) = ( 0.0869565 0.1506131 0.3253916), wk = 0.0033784 k( 237) = ( 0.0797101 0.1380620 0.3253916), wk = 0.0033784 k( 238) = ( 0.0724638 0.1255109 0.3253916), wk = 0.0033784 k( 239) = ( 0.0652174 0.1129598 0.3253916), wk = 0.0033784 k( 240) = ( 0.0579710 0.1004087 0.3253916), wk = 0.0033784 k( 241) = ( 0.0507246 0.0878577 0.3253916), wk = 0.0033784 k( 242) = ( 0.0434783 0.0753066 0.3253916), wk = 0.0033784 k( 243) = ( 0.0362319 0.0627555 0.3253916), wk = 0.0033784 k( 244) = ( 0.0289855 0.0502044 0.3253916), wk = 0.0033784 k( 245) = ( 0.0217391 0.0376533 0.3253916), wk = 0.0033784 k( 246) = ( 0.0144928 0.0251022 0.3253916), wk = 0.0033784 k( 247) = ( 0.0072464 0.0125511 0.3253916), wk = 0.0033784 k( 248) = ( 0.0000000 0.0000000 0.3253916), wk = 0.0033784 k( 249) = ( 0.5000000 0.2886751 0.3253916), wk = 0.0033784 k( 250) = ( 0.5000000 0.2886751 0.3112441), wk = 0.0033784 k( 251) = ( 0.5000000 0.2886751 0.2970967), wk = 0.0033784 k( 252) = ( 0.5000000 0.2886751 0.2829492), wk = 0.0033784 k( 253) = ( 0.5000000 0.2886751 0.2688017), wk = 0.0033784 k( 254) = ( 0.5000000 0.2886751 0.2546543), wk = 0.0033784 k( 255) = ( 0.5000000 0.2886751 0.2405068), wk = 0.0033784 k( 256) = ( 0.5000000 0.2886751 0.2263594), wk = 0.0033784 k( 257) = ( 0.5000000 0.2886751 0.2122119), wk = 0.0033784 k( 258) = ( 0.5000000 0.2886751 0.1980644), wk = 0.0033784 k( 259) = ( 0.5000000 0.2886751 0.1839170), wk = 0.0033784 k( 260) = ( 0.5000000 0.2886751 0.1697695), wk = 0.0033784 k( 261) = ( 0.5000000 0.2886751 0.1556221), wk = 0.0033784 k( 262) = ( 0.5000000 0.2886751 0.1414746), wk = 0.0033784 k( 263) = ( 0.5000000 0.2886751 0.1273271), wk = 0.0033784 k( 264) = ( 0.5000000 0.2886751 0.1131797), wk = 0.0033784 k( 265) = ( 0.5000000 0.2886751 0.0990322), wk = 0.0033784 k( 266) = ( 0.5000000 0.2886751 0.0848848), wk = 0.0033784 k( 267) = ( 0.5000000 0.2886751 0.0707373), wk = 0.0033784 k( 268) = ( 0.5000000 0.2886751 0.0565898), wk = 0.0033784 k( 269) = ( 0.5000000 0.2886751 0.0424424), wk = 0.0033784 k( 270) = ( 0.5000000 0.2886751 0.0282949), wk = 0.0033784 k( 271) = ( 0.5000000 0.2886751 0.0141475), wk = 0.0033784 k( 272) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 273) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 274) = ( 0.3333333 0.5773503 0.0141475), wk = 0.0033784 k( 275) = ( 0.3333333 0.5773503 0.0282949), wk = 0.0033784 k( 276) = ( 0.3333333 0.5773503 0.0424424), wk = 0.0033784 k( 277) = ( 0.3333333 0.5773503 0.0565898), wk = 0.0033784 k( 278) = ( 0.3333333 0.5773503 0.0707373), wk = 0.0033784 k( 279) = ( 0.3333333 0.5773503 0.0848848), wk = 0.0033784 k( 280) = ( 0.3333333 0.5773503 0.0990322), wk = 0.0033784 k( 281) = ( 0.3333333 0.5773503 0.1131797), wk = 0.0033784 k( 282) = ( 0.3333333 0.5773503 0.1273271), wk = 0.0033784 k( 283) = ( 0.3333333 0.5773503 0.1414746), wk = 0.0033784 k( 284) = ( 0.3333333 0.5773503 0.1556221), wk = 0.0033784 k( 285) = ( 0.3333333 0.5773503 0.1697695), wk = 0.0033784 k( 286) = ( 0.3333333 0.5773503 0.1839170), wk = 0.0033784 k( 287) = ( 0.3333333 0.5773503 0.1980644), wk = 0.0033784 k( 288) = ( 0.3333333 0.5773503 0.2122119), wk = 0.0033784 k( 289) = ( 0.3333333 0.5773503 0.2263594), wk = 0.0033784 k( 290) = ( 0.3333333 0.5773503 0.2405068), wk = 0.0033784 k( 291) = ( 0.3333333 0.5773503 0.2546543), wk = 0.0033784 k( 292) = ( 0.3333333 0.5773503 0.2688017), wk = 0.0033784 k( 293) = ( 0.3333333 0.5773503 0.2829492), wk = 0.0033784 k( 294) = ( 0.3333333 0.5773503 0.2970967), wk = 0.0033784 k( 295) = ( 0.3333333 0.5773503 0.3112441), wk = 0.0033784 k( 296) = ( 0.3333333 0.5773503 0.3253916), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0033784 k( 3) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0033784 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0033784 k( 5) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0033784 k( 6) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0033784 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0033784 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0033784 k( 9) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0033784 k( 10) = ( 0.1125000 -0.0000000 0.0000000), wk = 0.0033784 k( 11) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0033784 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0033784 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0033784 k( 14) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0033784 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0033784 k( 16) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0033784 k( 17) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0033784 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2250000 -0.0000000 0.0000000), wk = 0.0033784 k( 20) = ( 0.2375000 -0.0000000 0.0000000), wk = 0.0033784 k( 21) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0033784 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0033784 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0033784 k( 24) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0033784 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0033784 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0033784 k( 27) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0033784 k( 28) = ( 0.3375000 -0.0000000 0.0000000), wk = 0.0033784 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0033784 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0033784 k( 31) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0033784 k( 32) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0033784 k( 33) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0033784 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0033784 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0033784 k( 36) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0033784 k( 37) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0033784 k( 38) = ( 0.4625000 -0.0000000 0.0000000), wk = 0.0033784 k( 39) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0033784 k( 40) = ( 0.4875000 -0.0000000 0.0000000), wk = 0.0033784 k( 41) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033784 k( 42) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033784 k( 43) = ( 0.4927536 0.0144927 0.0000000), wk = 0.0033784 k( 44) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0033784 k( 45) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0033784 k( 46) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0033784 k( 48) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0033784 k( 49) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0033784 k( 50) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0033784 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0033784 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0033784 k( 53) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0033784 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0033784 k( 55) = ( 0.4057971 0.1884058 -0.0000000), wk = 0.0033784 k( 56) = ( 0.3985507 0.2028985 0.0000000), wk = 0.0033784 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0033784 k( 58) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0033784 k( 60) = ( 0.3695652 0.2608696 -0.0000000), wk = 0.0033784 k( 61) = ( 0.3623188 0.2753623 -0.0000000), wk = 0.0033784 k( 62) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0033784 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0033784 k( 64) = ( 0.3405797 0.3188406 -0.0000000), wk = 0.0033784 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 66) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 67) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0033784 k( 68) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0033784 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0033784 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0033784 k( 71) = ( 0.2971014 0.2971014 -0.0000000), wk = 0.0033784 k( 72) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0033784 k( 73) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0033784 k( 74) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0033784 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0033784 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0033784 k( 77) = ( 0.2536232 0.2536232 -0.0000000), wk = 0.0033784 k( 78) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0033784 k( 79) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0033784 k( 80) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0033784 k( 81) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0033784 k( 82) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0033784 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0033784 k( 84) = ( 0.2028986 0.2028985 0.0000000), wk = 0.0033784 k( 85) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0033784 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0033784 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0033784 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0033784 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033784 k( 90) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0033784 k( 91) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0033784 k( 92) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0033784 k( 93) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0033784 k( 94) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0033784 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0033784 k( 96) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0033784 k( 97) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0033784 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0033784 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0033784 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0033784 k( 101) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0033784 k( 103) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0033784 k( 104) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0033784 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0033784 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0033784 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0033784 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0033784 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0033784 k( 110) = ( 0.0144928 0.0144927 0.0000000), wk = 0.0033784 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 138) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0033784 k( 139) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0033784 k( 140) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0033784 k( 141) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0033784 k( 142) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0033784 k( 143) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0033784 k( 144) = ( 0.0875000 -0.0000000 0.5000000), wk = 0.0033784 k( 145) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0033784 k( 146) = ( 0.1125000 -0.0000000 0.5000000), wk = 0.0033784 k( 147) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0033784 k( 148) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0033784 k( 149) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0033784 k( 150) = ( 0.1625000 -0.0000000 0.5000000), wk = 0.0033784 k( 151) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0033784 k( 152) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0033784 k( 153) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0033784 k( 154) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0033784 k( 155) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0033784 k( 156) = ( 0.2375000 -0.0000000 0.5000000), wk = 0.0033784 k( 157) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0033784 k( 158) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0033784 k( 159) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0033784 k( 160) = ( 0.2875000 0.0000000 0.5000000), wk = 0.0033784 k( 161) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0033784 k( 162) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0033784 k( 163) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0033784 k( 164) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0033784 k( 165) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0033784 k( 166) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0033784 k( 167) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0033784 k( 168) = ( 0.3875000 -0.0000000 0.5000000), wk = 0.0033784 k( 169) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0033784 k( 170) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0033784 k( 171) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0033784 k( 172) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0033784 k( 173) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0033784 k( 174) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0033784 k( 175) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0033784 k( 176) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0033784 k( 177) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033784 k( 178) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033784 k( 179) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0033784 k( 180) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0033784 k( 181) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0033784 k( 182) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0033784 k( 183) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0033784 k( 184) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0033784 k( 185) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0033784 k( 186) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0033784 k( 187) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0033784 k( 188) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0033784 k( 189) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0033784 k( 190) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0033784 k( 191) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0033784 k( 192) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0033784 k( 193) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0033784 k( 194) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0033784 k( 195) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0033784 k( 196) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0033784 k( 197) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0033784 k( 198) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0033784 k( 199) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0033784 k( 200) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0033784 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 203) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0033784 k( 204) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0033784 k( 205) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0033784 k( 206) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0033784 k( 207) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0033784 k( 208) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0033784 k( 209) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0033784 k( 210) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0033784 k( 211) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0033784 k( 212) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0033784 k( 213) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0033784 k( 214) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0033784 k( 215) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0033784 k( 216) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0033784 k( 217) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0033784 k( 218) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0033784 k( 219) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0033784 k( 220) = ( 0.2028986 0.2028985 0.5000000), wk = 0.0033784 k( 221) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0033784 k( 222) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0033784 k( 223) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0033784 k( 224) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0033784 k( 225) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033784 k( 226) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0033784 k( 227) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0033784 k( 228) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0033784 k( 229) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0033784 k( 230) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0033784 k( 231) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0033784 k( 232) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0033784 k( 233) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0033784 k( 234) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0033784 k( 235) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0033784 k( 236) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0033784 k( 237) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0033784 k( 238) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0033784 k( 239) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0033784 k( 240) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0033784 k( 241) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0033784 k( 242) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0033784 k( 243) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0033784 k( 244) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0033784 k( 245) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0033784 k( 246) = ( 0.0144928 0.0144927 0.5000000), wk = 0.0033784 k( 247) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0033784 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 249) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033784 k( 250) = ( 0.5000000 -0.0000000 0.4782609), wk = 0.0033784 k( 251) = ( 0.5000000 -0.0000000 0.4565217), wk = 0.0033784 k( 252) = ( 0.5000000 -0.0000000 0.4347826), wk = 0.0033784 k( 253) = ( 0.5000000 -0.0000000 0.4130435), wk = 0.0033784 k( 254) = ( 0.5000000 -0.0000000 0.3913044), wk = 0.0033784 k( 255) = ( 0.5000000 -0.0000000 0.3695652), wk = 0.0033784 k( 256) = ( 0.5000000 -0.0000000 0.3478261), wk = 0.0033784 k( 257) = ( 0.5000000 -0.0000000 0.3260870), wk = 0.0033784 k( 258) = ( 0.5000000 -0.0000000 0.3043478), wk = 0.0033784 k( 259) = ( 0.5000000 -0.0000000 0.2826087), wk = 0.0033784 k( 260) = ( 0.5000000 -0.0000000 0.2608696), wk = 0.0033784 k( 261) = ( 0.5000000 -0.0000000 0.2391304), wk = 0.0033784 k( 262) = ( 0.5000000 -0.0000000 0.2173913), wk = 0.0033784 k( 263) = ( 0.5000000 -0.0000000 0.1956522), wk = 0.0033784 k( 264) = ( 0.5000000 -0.0000000 0.1739130), wk = 0.0033784 k( 265) = ( 0.5000000 -0.0000000 0.1521739), wk = 0.0033784 k( 266) = ( 0.5000000 -0.0000000 0.1304348), wk = 0.0033784 k( 267) = ( 0.5000000 -0.0000000 0.1086957), wk = 0.0033784 k( 268) = ( 0.5000000 -0.0000000 0.0869565), wk = 0.0033784 k( 269) = ( 0.5000000 -0.0000000 0.0652174), wk = 0.0033784 k( 270) = ( 0.5000000 -0.0000000 0.0434783), wk = 0.0033784 k( 271) = ( 0.5000000 -0.0000000 0.0217391), wk = 0.0033784 k( 272) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033784 k( 273) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 274) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0033784 k( 275) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0033784 k( 276) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0033784 k( 277) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0033784 k( 278) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0033784 k( 279) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0033784 k( 280) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0033784 k( 281) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0033784 k( 282) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0033784 k( 283) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0033784 k( 284) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0033784 k( 285) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0033784 k( 286) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0033784 k( 287) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0033784 k( 288) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0033784 k( 289) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0033784 k( 290) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0033784 k( 291) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0033784 k( 292) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0033784 k( 293) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0033784 k( 294) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0033784 k( 295) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0033784 k( 296) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 Dense grid: 131753 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 37625 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 216, 62) NL pseudopotentials 0.28 Mb ( 108, 168) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2742) G-vector shells 0.01 Mb ( 1331) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 216, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.32 Mb ( 168, 2, 62) The potential is recalculated from file : ./CaBiAu.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.3 secs Computing kpt #: 2 total cpu time spent up to now is 52.5 secs Computing kpt #: 3 total cpu time spent up to now is 57.3 secs Computing kpt #: 4 total cpu time spent up to now is 62.7 secs Computing kpt #: 5 total cpu time spent up to now is 67.7 secs Computing kpt #: 6 total cpu time spent up to now is 73.0 secs Computing kpt #: 7 total cpu time spent up to now is 78.5 secs Computing kpt #: 8 total cpu time spent up to now is 85.4 secs Computing kpt #: 9 total cpu time spent up to now is 91.7 secs Computing kpt #: 10 total cpu time spent up to now is 97.7 secs Computing kpt #: 11 total cpu time spent up to now is 103.3 secs Computing kpt #: 12 total cpu time spent up to now is 109.9 secs Computing kpt #: 13 total cpu time spent up to now is 116.5 secs Computing kpt #: 14 total cpu time spent up to now is 123.1 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.1 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.8 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.5 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.3 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.1 secs Computing kpt #: 20 total cpu time spent up to now is 164.1 secs Computing kpt #: 21 total cpu time spent up to now is 170.5 secs Computing kpt #: 22 total cpu time spent up to now is 176.3 secs Computing kpt #: 23 total cpu time spent up to now is 181.7 secs Computing kpt #: 24 total cpu time spent up to now is 187.0 secs Computing kpt #: 25 total cpu time spent up to now is 192.2 secs Computing kpt #: 26 total cpu time spent up to now is 197.8 secs Computing kpt #: 27 total cpu time spent up to now is 202.8 secs Computing kpt #: 28 total cpu time spent up to now is 207.9 secs Computing kpt #: 29 total cpu time spent up to now is 213.7 secs Computing kpt #: 30 total cpu time spent up to now is 218.7 secs Computing kpt #: 31 total cpu time spent up to now is 224.0 secs Computing kpt #: 32 total cpu time spent up to now is 229.1 secs Computing kpt #: 33 total cpu time spent up to now is 234.0 secs Computing kpt #: 34 total cpu time spent up to now is 239.2 secs Computing kpt #: 35 total cpu time spent up to now is 244.4 secs Computing kpt #: 36 total cpu time spent up to now is 249.6 secs Computing kpt #: 37 total cpu time spent up to now is 254.6 secs Computing kpt #: 38 total cpu time spent up to now is 259.8 secs Computing kpt #: 39 total cpu time spent up to now is 264.8 secs Computing kpt #: 40 total cpu time spent up to now is 269.8 secs Computing kpt #: 41 total cpu time spent up to now is 275.2 secs Computing kpt #: 42 total cpu time spent up to now is 280.7 secs Computing kpt #: 43 total cpu time spent up to now is 286.1 secs Computing kpt #: 44 total cpu time spent up to now is 291.8 secs Computing kpt #: 45 total cpu time spent up to now is 297.1 secs Computing kpt #: 46 total cpu time spent up to now is 302.6 secs Computing kpt #: 47 total cpu time spent up to now is 308.1 secs Computing kpt #: 48 total cpu time spent up to now is 313.9 secs Computing kpt #: 49 total cpu time spent up to now is 319.3 secs Computing kpt #: 50 total cpu time spent up to now is 325.5 secs Computing kpt #: 51 total cpu time spent up to now is 331.6 secs Computing kpt #: 52 total cpu time spent up to now is 338.5 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.5 secs Computing kpt #: 54 total cpu time spent up to now is 353.9 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 361.1 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.2 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 375.3 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.5 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 389.7 secs Computing kpt #: 60 total cpu time spent up to now is 396.1 secs Computing kpt #: 61 total cpu time spent up to now is 402.0 secs Computing kpt #: 62 total cpu time spent up to now is 408.1 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 415.7 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 422.9 secs Computing kpt #: 65 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 430.3 secs Computing kpt #: 66 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 437.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 445.0 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 452.2 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.5 secs Computing kpt #: 70 total cpu time spent up to now is 465.5 secs Computing kpt #: 71 total cpu time spent up to now is 472.5 secs Computing kpt #: 72 total cpu time spent up to now is 478.5 secs Computing kpt #: 73 total cpu time spent up to now is 484.8 secs Computing kpt #: 74 total cpu time spent up to now is 491.7 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 499.2 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.8 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 514.1 secs Computing kpt #: 78 total cpu time spent up to now is 520.2 secs Computing kpt #: 79 total cpu time spent up to now is 526.9 secs Computing kpt #: 80 total cpu time spent up to now is 533.5 secs Computing kpt #: 81 total cpu time spent up to now is 540.0 secs Computing kpt #: 82 total cpu time spent up to now is 545.0 secs Computing kpt #: 83 total cpu time spent up to now is 550.9 secs Computing kpt #: 84 total cpu time spent up to now is 557.2 secs Computing kpt #: 85 total cpu time spent up to now is 563.1 secs Computing kpt #: 86 total cpu time spent up to now is 568.6 secs Computing kpt #: 87 total cpu time spent up to now is 574.4 secs Computing kpt #: 88 total cpu time spent up to now is 580.5 secs Computing kpt #: 89 total cpu time spent up to now is 587.3 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 594.4 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.8 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 609.0 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 616.0 secs Computing kpt #: 94 total cpu time spent up to now is 622.9 secs Computing kpt #: 95 total cpu time spent up to now is 629.8 secs Computing kpt #: 96 total cpu time spent up to now is 636.6 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 645.7 secs Computing kpt #: 98 total cpu time spent up to now is 652.3 secs Computing kpt #: 99 total cpu time spent up to now is 659.2 secs Computing kpt #: 100 total cpu time spent up to now is 665.5 secs Computing kpt #: 101 total cpu time spent up to now is 672.1 secs Computing kpt #: 102 total cpu time spent up to now is 679.0 secs Computing kpt #: 103 total cpu time spent up to now is 684.8 secs Computing kpt #: 104 total cpu time spent up to now is 690.8 secs Computing kpt #: 105 total cpu time spent up to now is 696.2 secs Computing kpt #: 106 total cpu time spent up to now is 702.8 secs Computing kpt #: 107 total cpu time spent up to now is 708.4 secs Computing kpt #: 108 total cpu time spent up to now is 714.0 secs Computing kpt #: 109 total cpu time spent up to now is 719.1 secs Computing kpt #: 110 total cpu time spent up to now is 724.2 secs Computing kpt #: 111 total cpu time spent up to now is 729.1 secs Computing kpt #: 112 total cpu time spent up to now is 734.4 secs Computing kpt #: 113 total cpu time spent up to now is 739.1 secs Computing kpt #: 114 total cpu time spent up to now is 744.0 secs Computing kpt #: 115 total cpu time spent up to now is 749.1 secs Computing kpt #: 116 total cpu time spent up to now is 754.0 secs Computing kpt #: 117 total cpu time spent up to now is 759.2 secs Computing kpt #: 118 total cpu time spent up to now is 763.8 secs Computing kpt #: 119 total cpu time spent up to now is 769.2 secs Computing kpt #: 120 total cpu time spent up to now is 774.0 secs Computing kpt #: 121 total cpu time spent up to now is 779.3 secs Computing kpt #: 122 total cpu time spent up to now is 785.0 secs Computing kpt #: 123 total cpu time spent up to now is 790.5 secs Computing kpt #: 124 total cpu time spent up to now is 795.6 secs Computing kpt #: 125 total cpu time spent up to now is 800.8 secs Computing kpt #: 126 total cpu time spent up to now is 806.0 secs Computing kpt #: 127 total cpu time spent up to now is 811.1 secs Computing kpt #: 128 total cpu time spent up to now is 816.1 secs Computing kpt #: 129 total cpu time spent up to now is 821.7 secs Computing kpt #: 130 total cpu time spent up to now is 827.1 secs Computing kpt #: 131 total cpu time spent up to now is 832.3 secs Computing kpt #: 132 total cpu time spent up to now is 837.6 secs Computing kpt #: 133 total cpu time spent up to now is 843.1 secs Computing kpt #: 134 total cpu time spent up to now is 849.1 secs Computing kpt #: 135 total cpu time spent up to now is 855.8 secs Computing kpt #: 136 total cpu time spent up to now is 862.1 secs Computing kpt #: 137 total cpu time spent up to now is 868.7 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 875.9 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 883.4 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 890.7 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 898.1 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 905.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 912.7 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 920.1 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.3 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 934.6 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 943.7 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 951.2 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 958.3 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 965.9 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 973.2 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 980.5 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 988.3 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 995.1 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1002.3 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1009.4 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1016.4 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1023.6 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1030.5 secs Computing kpt #: 160 total cpu time spent up to now is 1036.9 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1043.6 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1050.9 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1057.9 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1064.4 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1071.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.2 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1084.7 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1091.6 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1098.2 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1104.9 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1111.6 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1118.2 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1124.8 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1131.4 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1138.1 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1144.9 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1151.4 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1158.0 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1164.6 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1171.1 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1177.6 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1184.4 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1191.1 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1197.7 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1204.6 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1211.2 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1217.9 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1224.5 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1231.4 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1238.5 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1245.7 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1252.7 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1260.0 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1267.3 secs Computing kpt #: 195 total cpu time spent up to now is 1274.3 secs Computing kpt #: 196 total cpu time spent up to now is 1280.2 secs Computing kpt #: 197 total cpu time spent up to now is 1286.3 secs Computing kpt #: 198 total cpu time spent up to now is 1291.9 secs Computing kpt #: 199 total cpu time spent up to now is 1297.4 secs Computing kpt #: 200 total cpu time spent up to now is 1302.9 secs Computing kpt #: 201 total cpu time spent up to now is 1308.3 secs Computing kpt #: 202 total cpu time spent up to now is 1314.0 secs Computing kpt #: 203 total cpu time spent up to now is 1319.0 secs Computing kpt #: 204 total cpu time spent up to now is 1325.1 secs Computing kpt #: 205 total cpu time spent up to now is 1330.8 secs Computing kpt #: 206 total cpu time spent up to now is 1337.4 secs Computing kpt #: 207 total cpu time spent up to now is 1343.6 secs Computing kpt #: 208 total cpu time spent up to now is 1350.7 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1357.8 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1364.9 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1371.9 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1379.0 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1386.1 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1393.4 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1400.4 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1407.4 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1414.2 secs Computing kpt #: 218 total cpu time spent up to now is 1421.1 secs Computing kpt #: 219 total cpu time spent up to now is 1427.6 secs Computing kpt #: 220 total cpu time spent up to now is 1433.0 secs Computing kpt #: 221 total cpu time spent up to now is 1438.4 secs Computing kpt #: 222 total cpu time spent up to now is 1443.6 secs Computing kpt #: 223 total cpu time spent up to now is 1449.1 secs Computing kpt #: 224 total cpu time spent up to now is 1454.7 secs Computing kpt #: 225 total cpu time spent up to now is 1459.9 secs Computing kpt #: 226 total cpu time spent up to now is 1465.1 secs Computing kpt #: 227 total cpu time spent up to now is 1470.3 secs Computing kpt #: 228 total cpu time spent up to now is 1476.1 secs Computing kpt #: 229 total cpu time spent up to now is 1481.6 secs Computing kpt #: 230 total cpu time spent up to now is 1487.5 secs Computing kpt #: 231 total cpu time spent up to now is 1493.7 secs Computing kpt #: 232 total cpu time spent up to now is 1500.1 secs Computing kpt #: 233 total cpu time spent up to now is 1505.8 secs Computing kpt #: 234 total cpu time spent up to now is 1512.8 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1519.8 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1526.7 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1533.7 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1541.2 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1549.6 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1557.0 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1563.9 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1570.9 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1577.9 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1585.7 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1593.1 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1600.4 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1607.7 secs Computing kpt #: 248 total cpu time spent up to now is 1613.2 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1619.7 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1626.3 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1632.9 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1639.8 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1646.4 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1653.4 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1660.1 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1667.0 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1673.9 secs Computing kpt #: 258 total cpu time spent up to now is 1680.4 secs Computing kpt #: 259 total cpu time spent up to now is 1686.7 secs Computing kpt #: 260 total cpu time spent up to now is 1692.4 secs Computing kpt #: 261 total cpu time spent up to now is 1698.1 secs Computing kpt #: 262 total cpu time spent up to now is 1703.4 secs Computing kpt #: 263 total cpu time spent up to now is 1708.5 secs Computing kpt #: 264 total cpu time spent up to now is 1714.0 secs Computing kpt #: 265 total cpu time spent up to now is 1719.6 secs Computing kpt #: 266 total cpu time spent up to now is 1724.5 secs Computing kpt #: 267 total cpu time spent up to now is 1729.8 secs Computing kpt #: 268 total cpu time spent up to now is 1735.1 secs Computing kpt #: 269 total cpu time spent up to now is 1740.4 secs Computing kpt #: 270 total cpu time spent up to now is 1746.1 secs Computing kpt #: 271 total cpu time spent up to now is 1751.4 secs Computing kpt #: 272 total cpu time spent up to now is 1756.6 secs Computing kpt #: 273 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1764.1 secs Computing kpt #: 274 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1771.5 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1779.1 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1786.3 secs Computing kpt #: 277 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1793.7 secs Computing kpt #: 278 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1801.3 secs Computing kpt #: 279 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1808.8 secs Computing kpt #: 280 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1816.1 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1823.5 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1830.8 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1838.1 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1846.8 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1854.0 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1861.5 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1868.7 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1875.9 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1884.1 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1891.4 secs Computing kpt #: 291 total cpu time spent up to now is 1897.9 secs Computing kpt #: 292 total cpu time spent up to now is 1904.8 secs Computing kpt #: 293 total cpu time spent up to now is 1911.4 secs Computing kpt #: 294 total cpu time spent up to now is 1917.1 secs Computing kpt #: 295 total cpu time spent up to now is 1922.6 secs Computing kpt #: 296 total cpu time spent up to now is 1928.0 secs ethr = 1.92E-11, avg # of iterations = 99.2 total cpu time spent up to now is 1928.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4733 PWs) bands (ev): -29.6488 -29.6488 -29.6309 -29.6309 -11.0320 -11.0320 -10.9503 -10.9503 -10.6766 -10.6766 -10.5946 -10.5946 -10.5663 -10.5663 -10.5493 -10.5493 -1.0944 -1.0944 -0.0814 -0.0814 4.9420 4.9420 5.1122 5.1122 5.3407 5.3407 5.4295 5.4295 5.7999 5.7999 5.9050 5.9050 6.1151 6.1151 6.6869 6.6869 6.7347 6.7347 7.1524 7.1524 7.5902 7.5902 9.8242 9.8242 10.5057 10.5057 10.9142 10.9142 11.1322 11.1322 11.3020 11.3020 12.6848 12.6848 12.9601 12.9601 13.1794 13.1794 13.1817 13.1817 13.1951 13.1951 k = 0.0125 0.0072-0.0000 ( 4737 PWs) bands (ev): -29.6488 -29.6488 -29.6309 -29.6309 -11.0321 -11.0318 -10.9505 -10.9502 -10.6768 -10.6764 -10.5947 -10.5947 -10.5663 -10.5663 -10.5495 -10.5492 -1.0934 -1.0931 -0.0818 -0.0806 4.9424 4.9424 5.1122 5.1122 5.3354 5.3462 5.4201 5.4398 5.7943 5.8052 5.8823 5.9273 6.1066 6.1253 6.6868 6.6868 6.7320 6.7377 7.1527 7.1527 7.5839 7.5963 9.8099 9.8244 10.4874 10.4881 10.8713 10.9344 11.1476 11.1651 11.2543 11.3517 12.6787 12.6838 12.9270 12.9279 13.1257 13.1259 13.2000 13.2120 13.2490 13.2608 k = 0.0250 0.0144-0.0000 ( 4737 PWs) bands (ev): -29.6488 -29.6488 -29.6309 -29.6308 -11.0323 -11.0317 -10.9508 -10.9501 -10.6770 -10.6763 -10.5949 -10.5949 -10.5664 -10.5664 -10.5497 -10.5490 -1.0899 -1.0895 -0.0816 -0.0792 4.9436 4.9436 5.1121 5.1122 5.3301 5.3519 5.4117 5.4509 5.7886 5.8101 5.8598 5.9483 6.1008 6.1367 6.6866 6.6868 6.7297 6.7412 7.1536 7.1537 7.5774 7.6023 9.7811 9.8101 10.4393 10.4437 10.8126 10.9231 11.2049 11.2167 11.2383 11.3967 12.6649 12.6732 12.8571 12.8618 13.0643 13.0743 13.2267 13.2597 13.3272 13.3514 k = 0.0375 0.0217-0.0000 ( 4737 PWs) bands (ev): -29.6487 -29.6487 -29.6308 -29.6308 -11.0324 -11.0315 -10.9511 -10.9501 -10.6772 -10.6762 -10.5951 -10.5951 -10.5666 -10.5666 -10.5499 -10.5489 -1.0841 -1.0835 -0.0808 -0.0773 4.9455 4.9457 5.1120 5.1122 5.3250 5.3576 5.4042 5.4628 5.7826 5.8147 5.8377 5.9666 6.0989 6.1490 6.6862 6.6867 6.7278 6.7449 7.1552 7.1553 7.5707 7.6082 9.7376 9.7810 10.3763 10.3868 10.7422 10.8769 11.1956 11.2889 11.3351 11.4332 12.6373 12.6469 12.7851 12.7947 12.9990 13.0266 13.2534 13.3125 13.4123 13.4531 k = 0.0500 0.0289-0.0000 ( 4733 PWs) bands (ev): -29.6487 -29.6487 -29.6308 -29.6308 -11.0325 -11.0312 -10.9514 -10.9501 -10.6774 -10.6760 -10.5955 -10.5955 -10.5668 -10.5668 -10.5501 -10.5487 -1.0760 -1.0752 -0.0796 -0.0748 4.9481 4.9485 5.1117 5.1123 5.3201 5.3634 5.3979 5.4753 5.7766 5.8145 5.8207 5.9805 6.1029 6.1619 6.6854 6.6868 6.7265 6.7490 7.1574 7.1575 7.5636 7.6142 9.6796 9.7365 10.3101 10.3276 10.6627 10.8032 11.1822 11.3847 11.4473 11.4614 12.5831 12.6002 12.7335 12.7382 12.9370 12.9821 13.2815 13.3667 13.4972 13.5611 k = 0.0625 0.0361-0.0000 ( 4729 PWs) bands (ev): -29.6487 -29.6487 -29.6308 -29.6308 -11.0325 -11.0310 -10.9518 -10.9502 -10.6776 -10.6759 -10.5959 -10.5959 -10.5671 -10.5671 -10.5503 -10.5486 -1.0656 -1.0645 -0.0778 -0.0719 4.9513 4.9522 5.1113 5.1124 5.3154 5.3690 5.3929 5.4885 5.7706 5.7948 5.8237 5.9886 6.1138 6.1752 6.6844 6.6869 6.7256 6.7533 7.1601 7.1605 7.5562 7.6204 9.6080 9.6769 10.2473 10.2708 10.5762 10.7120 11.1683 11.4488 11.5143 11.5681 12.5023 12.5405 12.6858 12.7060 12.8873 12.9413 13.3136 13.4210 13.5785 13.6729 k = 0.0750 0.0433-0.0000 ( 4723 PWs) bands (ev): -29.6487 -29.6486 -29.6308 -29.6308 -11.0325 -11.0307 -10.9523 -10.9504 -10.6778 -10.6758 -10.5965 -10.5964 -10.5674 -10.5674 -10.5505 -10.5486 -1.0530 -1.0517 -0.0755 -0.0684 4.9552 4.9566 5.1106 5.1125 5.3109 5.3738 5.3898 5.5022 5.7646 5.7749 5.8275 5.9913 6.1313 6.1888 6.6831 6.6873 6.7252 6.7580 7.1635 7.1642 7.5484 7.6267 9.5249 9.6037 10.1905 10.2178 10.4839 10.6102 11.1485 11.4498 11.6157 11.6935 12.4086 12.4801 12.6292 12.6910 12.8540 12.9050 13.3505 13.4745 13.6546 13.7862 k = 0.0875 0.0505-0.0000 ( 4723 PWs) bands (ev): -29.6486 -29.6486 -29.6308 -29.6307 -11.0326 -11.0305 -10.9528 -10.9506 -10.6780 -10.6757 -10.5971 -10.5970 -10.5678 -10.5678 -10.5507 -10.5485 -1.0381 -1.0366 -0.0727 -0.0645 4.9595 4.9618 5.1097 5.1126 5.3065 5.3764 5.3901 5.5162 5.7558 5.7588 5.8310 5.9904 6.1536 6.2025 6.6815 6.6878 6.7252 6.7630 7.1673 7.1685 7.5402 7.6334 9.4327 9.5194 10.1393 10.1679 10.3872 10.5019 11.1209 11.4276 11.7179 11.8204 12.3099 12.4253 12.5737 12.6822 12.8338 12.8738 13.3921 13.5264 13.7253 13.8989 k = 0.1000 0.0577-0.0000 ( 4727 PWs) bands (ev): -29.6486 -29.6486 -29.6307 -29.6307 -11.0326 -11.0302 -10.9534 -10.9509 -10.6782 -10.6756 -10.5979 -10.5978 -10.5682 -10.5682 -10.5510 -10.5485 -1.0211 -1.0193 -0.0694 -0.0601 4.9643 4.9677 5.1084 5.1127 5.3025 5.3764 5.3943 5.5305 5.7377 5.7534 5.8343 5.9874 6.1790 6.2162 6.6796 6.6885 6.7255 6.7682 7.1716 7.1736 7.5317 7.6406 9.3338 9.4273 10.0923 10.1194 10.2870 10.3902 11.0849 11.3876 11.8069 11.9452 12.2103 12.3770 12.5334 12.6776 12.8211 12.8483 13.4379 13.5763 13.7910 14.0078 k = 0.1125 0.0650-0.0000 ( 4725 PWs) bands (ev): -29.6485 -29.6485 -29.6307 -29.6307 -11.0326 -11.0300 -10.9540 -10.9513 -10.6785 -10.6755 -10.5988 -10.5986 -10.5687 -10.5687 -10.5512 -10.5485 -1.0020 -1.0000 -0.0657 -0.0554 4.9695 4.9742 5.1067 5.1129 5.2988 5.3757 5.4005 5.5449 5.7207 5.7484 5.8374 5.9834 6.2062 6.2299 6.6774 6.6895 6.7261 6.7739 7.1764 7.1793 7.5229 7.6484 9.2304 9.3301 10.0471 10.0694 10.1850 10.2783 11.0410 11.3321 11.8690 12.0506 12.1253 12.3357 12.5233 12.6773 12.8126 12.8296 13.4871 13.6239 13.8527 14.1087 k = 0.1250 0.0722-0.0000 ( 4733 PWs) bands (ev): -29.6485 -29.6485 -29.6306 -29.6306 -11.0325 -11.0297 -10.9546 -10.9517 -10.6787 -10.6755 -10.5997 -10.5995 -10.5693 -10.5692 -10.5514 -10.5485 -0.9809 -0.9786 -0.0616 -0.0502 4.9749 4.9813 5.1046 5.1130 5.2954 5.3754 5.4074 5.5591 5.7049 5.7439 5.8403 5.9791 6.2343 6.2435 6.6751 6.6907 6.7269 6.7799 7.1814 7.1857 7.5138 7.6569 9.1243 9.2302 9.9993 10.0124 10.0846 10.1719 10.9900 11.2637 11.8908 11.9950 12.1926 12.3058 12.5520 12.6819 12.8063 12.8195 13.5388 13.6696 13.9112 14.1978 k = 0.1375 0.0794-0.0000 ( 4735 PWs) bands (ev): -29.6484 -29.6484 -29.6306 -29.6306 -11.0325 -11.0294 -10.9553 -10.9521 -10.6789 -10.6755 -10.6007 -10.6004 -10.5698 -10.5698 -10.5517 -10.5486 -0.9578 -0.9552 -0.0571 -0.0446 4.9804 4.9888 5.1020 5.1132 5.2924 5.3759 5.4147 5.5726 5.6908 5.7401 5.8431 5.9748 6.2568 6.2630 6.6726 6.6923 6.7278 6.7863 7.1866 7.1925 7.5045 7.6662 9.0171 9.1295 9.9344 9.9383 10.0002 10.0813 10.9329 11.1854 11.8704 11.8965 12.2879 12.2900 12.6163 12.6921 12.8017 12.8226 13.5922 13.7135 13.9673 14.2741 k = 0.1500 0.0866-0.0000 ( 4739 PWs) bands (ev): -29.6484 -29.6484 -29.6305 -29.6305 -11.0324 -11.0292 -10.9560 -10.9526 -10.6792 -10.6755 -10.6018 -10.6014 -10.5705 -10.5704 -10.5519 -10.5487 -0.9328 -0.9300 -0.0523 -0.0388 4.9859 4.9965 5.0991 5.1135 5.2899 5.3773 5.4224 5.5848 5.6789 5.7371 5.8456 5.9707 6.2698 6.2918 6.6700 6.6941 6.7289 6.7932 7.1918 7.1997 7.4952 7.6765 8.9098 9.0297 9.8390 9.8411 9.9449 10.0129 10.8707 11.0999 11.7969 11.8193 12.2843 12.3612 12.7029 12.7060 12.8012 12.8470 13.6469 13.7560 14.0215 14.3393 k = 0.1625 0.0938-0.0000 ( 4747 PWs) bands (ev): -29.6483 -29.6483 -29.6305 -29.6305 -11.0324 -11.0289 -10.9568 -10.9532 -10.6794 -10.6755 -10.6029 -10.6025 -10.5712 -10.5711 -10.5521 -10.5487 -0.9061 -0.9030 -0.0471 -0.0326 4.9911 5.0042 5.0958 5.1139 5.2879 5.3796 5.4303 5.5941 5.6706 5.7350 5.8480 5.9670 6.2824 6.3204 6.6672 6.6962 6.7299 6.8005 7.1969 7.2069 7.4860 7.6879 8.8036 8.9318 9.7287 9.7317 9.9001 9.9587 10.8043 11.0096 11.6984 11.7510 12.2836 12.4057 12.7197 12.7687 12.8368 12.8999 13.7024 13.7975 14.0741 14.3955 k = 0.1750 0.1010-0.0000 ( 4747 PWs) bands (ev): -29.6483 -29.6482 -29.6304 -29.6304 -11.0323 -11.0286 -10.9575 -10.9538 -10.6796 -10.6755 -10.6042 -10.6036 -10.5718 -10.5717 -10.5523 -10.5488 -0.8778 -0.8743 -0.0416 -0.0262 4.9958 5.0116 5.0923 5.1148 5.2865 5.3828 5.4384 5.5987 5.6675 5.7338 5.8502 5.9636 6.2947 6.3485 6.6644 6.6986 6.7309 6.8082 7.2017 7.2138 7.4773 7.7003 8.6993 8.8371 9.6098 9.6209 9.8576 9.9106 10.7347 10.9165 11.6016 11.6740 12.2849 12.4246 12.7319 12.7756 12.9382 12.9771 13.7585 13.8383 14.1254 14.4446 k = 0.1875 0.1083-0.0000 ( 4746 PWs) bands (ev): -29.6482 -29.6482 -29.6304 -29.6304 -11.0321 -11.0284 -10.9583 -10.9544 -10.6798 -10.6755 -10.6054 -10.6047 -10.5725 -10.5724 -10.5525 -10.5490 -0.8478 -0.8440 -0.0359 -0.0197 4.9997 5.0183 5.0890 5.1163 5.2859 5.3869 5.4467 5.5975 5.6707 5.7336 5.8524 5.9606 6.3065 6.3759 6.6613 6.7013 6.7320 6.8165 7.2061 7.2197 7.4693 7.7138 8.5979 8.7465 9.4884 9.5089 9.8154 9.8648 10.6626 10.8221 11.5067 11.5930 12.2861 12.4253 12.7441 12.7738 13.0500 13.0673 13.8148 13.8786 14.1756 14.4880 k = 0.2000 0.1155-0.0000 ( 4746 PWs) bands (ev): -29.6481 -29.6481 -29.6303 -29.6303 -11.0320 -11.0281 -10.9591 -10.9551 -10.6800 -10.6756 -10.6066 -10.6059 -10.5732 -10.5731 -10.5526 -10.5491 -0.8165 -0.8123 -0.0300 -0.0129 5.0024 5.0239 5.0861 5.1188 5.2860 5.3918 5.4551 5.5920 5.6783 5.7344 5.8546 5.9579 6.3180 6.4024 6.6582 6.7042 6.7331 6.8252 7.2099 7.2242 7.4625 7.7281 8.5004 8.6609 9.3661 9.3964 9.7732 9.8200 10.5888 10.7273 11.4141 11.5104 12.2858 12.4145 12.7574 12.7717 13.1604 13.1609 13.8707 13.9187 14.2246 14.4742 k = 0.2125 0.1227-0.0000 ( 4738 PWs) bands (ev): -29.6480 -29.6480 -29.6303 -29.6302 -11.0318 -11.0279 -10.9599 -10.9558 -10.6802 -10.6756 -10.6079 -10.6071 -10.5740 -10.5738 -10.5528 -10.5492 -0.7838 -0.7793 -0.0239 -0.0061 5.0034 5.0278 5.0842 5.1225 5.2870 5.3975 5.4636 5.5844 5.6879 5.7361 5.8569 5.9556 6.3291 6.4279 6.6549 6.7074 6.7342 6.8345 7.2129 7.2264 7.4573 7.7427 8.4077 8.5810 9.2439 9.2842 9.7308 9.7757 10.5139 10.6332 11.3238 11.4276 12.2831 12.3963 12.7707 12.7722 13.2516 13.2652 13.9255 13.9586 14.2717 14.4513 k = 0.2250 0.1299-0.0000 ( 4726 PWs) bands (ev): -29.6480 -29.6479 -29.6302 -29.6302 -11.0316 -11.0276 -10.9607 -10.9565 -10.6803 -10.6757 -10.6092 -10.6083 -10.5747 -10.5745 -10.5529 -10.5493 -0.7500 -0.7450 -0.0178 0.0008 5.0023 5.0297 5.0835 5.1277 5.2890 5.4040 5.4721 5.5759 5.6978 5.7388 5.8594 5.9535 6.3399 6.4522 6.6514 6.7108 6.7356 6.8442 7.2151 7.2256 7.4541 7.7569 8.3212 8.5078 9.1225 9.1726 9.6882 9.7316 10.4383 10.5402 11.2361 11.3455 12.2773 12.3732 12.7715 12.7884 13.3359 13.3617 13.9782 13.9983 14.3146 14.4327 k = 0.2375 0.1371-0.0000 ( 4730 PWs) bands (ev): -29.6479 -29.6479 -29.6301 -29.6301 -11.0315 -11.0274 -10.9615 -10.9572 -10.6805 -10.6758 -10.6106 -10.6096 -10.5754 -10.5753 -10.5530 -10.5495 -0.7152 -0.7098 -0.0117 0.0076 4.9990 5.0295 5.0843 5.1344 5.2921 5.4111 5.4806 5.5673 5.7069 5.7423 5.8626 5.9516 6.3505 6.4750 6.6477 6.7143 6.7373 6.8544 7.2163 7.2216 7.4528 7.7692 8.2428 8.4417 9.0024 9.0624 9.6455 9.6878 10.3627 10.4489 11.1509 11.2644 12.2681 12.3467 12.7744 12.8056 13.4121 13.4482 14.0278 14.0376 14.3498 14.4182 k = 0.2500 0.1443-0.0000 ( 4714 PWs) bands (ev): -29.6478 -29.6478 -29.6301 -29.6300 -11.0313 -11.0272 -10.9622 -10.9580 -10.6806 -10.6758 -10.6119 -10.6108 -10.5761 -10.5759 -10.5531 -10.5496 -0.6796 -0.6737 -0.0055 0.0143 4.9936 5.0272 5.0863 5.1422 5.2964 5.4188 5.4890 5.5590 5.7144 5.7466 5.8665 5.9499 6.3610 6.4963 6.6438 6.7180 6.7395 6.8650 7.2142 7.2166 7.4531 7.7771 8.1751 8.3833 8.8839 8.9540 9.6029 9.6443 10.2874 10.3597 11.0683 11.1848 12.2553 12.3179 12.7797 12.8237 13.4794 13.5238 14.0736 14.0760 14.3743 14.4074 k = 0.2625 0.1516-0.0000 ( 4716 PWs) bands (ev): -29.6477 -29.6477 -29.6300 -29.6300 -11.0311 -11.0270 -10.9630 -10.9588 -10.6808 -10.6760 -10.6132 -10.6121 -10.5769 -10.5767 -10.5532 -10.5498 -0.6433 -0.6369 0.0004 0.0209 4.9866 5.0231 5.0894 5.1509 5.3021 5.4270 5.4971 5.5510 5.7197 5.7515 5.8716 5.9483 6.3714 6.5158 6.6396 6.7217 6.7425 6.8759 7.2038 7.2159 7.4544 7.7770 8.1218 8.3326 8.7678 8.8486 9.5604 9.6013 10.2129 10.2729 10.9883 11.1068 12.2391 12.2877 12.7871 12.8421 13.5381 13.5888 14.1129 14.1152 14.3882 14.3998 k = 0.2750 0.1588-0.0000 ( 4724 PWs) bands (ev): -29.6476 -29.6476 -29.6300 -29.6299 -11.0310 -11.0269 -10.9638 -10.9596 -10.6809 -10.6762 -10.6145 -10.6134 -10.5777 -10.5775 -10.5532 -10.5499 -0.6065 -0.5996 0.0062 0.0271 4.9783 5.0173 5.0931 5.1599 5.3093 5.4355 5.5050 5.5433 5.7225 5.7568 5.8781 5.9467 6.3819 6.5335 6.6352 6.7255 6.7466 6.8872 7.1910 7.2143 7.4558 7.7649 8.0864 8.2892 8.6547 8.7472 9.5183 9.5589 10.1395 10.1887 10.9109 11.0305 12.2201 12.2567 12.7964 12.8606 13.5890 13.6439 14.1473 14.1527 14.3953 14.3956 k = 0.2875 0.1660-0.0000 ( 4720 PWs) bands (ev): -29.6476 -29.6476 -29.6299 -29.6299 -11.0307 -11.0267 -10.9645 -10.9604 -10.6810 -10.6763 -10.6158 -10.6146 -10.5784 -10.5782 -10.5533 -10.5501 -0.5693 -0.5619 0.0117 0.0331 4.9691 5.0102 5.0971 5.1689 5.3180 5.4442 5.5126 5.5361 5.7225 5.7625 5.8860 5.9451 6.3925 6.5491 6.6307 6.7292 6.7521 6.8988 7.1765 7.2118 7.4564 7.7398 8.0692 8.2515 8.5459 8.6517 9.4768 9.5174 10.0677 10.1074 10.8361 10.9560 12.1988 12.2254 12.8074 12.8788 13.6331 13.6907 14.1787 14.1865 14.3947 14.3993 k = 0.3000 0.1732-0.0000 ( 4716 PWs) bands (ev): -29.6475 -29.6475 -29.6298 -29.6298 -11.0305 -11.0266 -10.9652 -10.9612 -10.6811 -10.6765 -10.6170 -10.6158 -10.5791 -10.5788 -10.5533 -10.5502 -0.5320 -0.5241 0.0168 0.0386 4.9591 5.0019 5.1013 5.1774 5.3285 5.4531 5.5198 5.5292 5.7199 5.7681 5.8952 5.9437 6.4035 6.5626 6.6262 6.7328 6.7593 6.9105 7.1611 7.2086 7.4556 7.7048 8.0646 8.2168 8.4438 8.5654 9.4361 9.4768 9.9977 10.0291 10.7640 10.8834 12.1757 12.1944 12.8194 12.8964 13.6712 13.7305 14.2063 14.2167 14.3977 14.4031 k = 0.3125 0.1804-0.0000 ( 4708 PWs) bands (ev): -29.6474 -29.6474 -29.6298 -29.6298 -11.0303 -11.0265 -10.9659 -10.9620 -10.6812 -10.6766 -10.6182 -10.6170 -10.5798 -10.5795 -10.5533 -10.5503 -0.4948 -0.4863 0.0216 0.0436 4.9488 4.9927 5.1055 5.1853 5.3406 5.4620 5.5226 5.5265 5.7152 5.7734 5.9054 5.9425 6.4147 6.5739 6.6222 6.7362 6.7682 6.9223 7.1452 7.2048 7.4530 7.6647 8.0623 8.1800 8.3540 8.4931 9.3963 9.4376 9.9298 9.9540 10.6945 10.8127 12.1517 12.1639 12.8322 12.9131 13.7044 13.7647 14.2296 14.2435 14.4046 14.4084 k = 0.3250 0.1876-0.0000 ( 4700 PWs) bands (ev): -29.6473 -29.6473 -29.6297 -29.6297 -11.0301 -11.0264 -10.9665 -10.9627 -10.6812 -10.6768 -10.6193 -10.6181 -10.5804 -10.5801 -10.5533 -10.5505 -0.4578 -0.4487 0.0257 0.0480 4.9383 4.9826 5.1095 5.1922 5.3543 5.4707 5.5163 5.5326 5.7086 5.7780 5.9163 5.9418 6.4264 6.5826 6.6193 6.7394 6.7788 6.9342 7.1296 7.2006 7.4484 7.6235 8.0461 8.1348 8.2886 8.4405 9.3578 9.3997 9.8645 9.8824 10.6276 10.7441 12.1271 12.1343 12.8453 12.9286 13.7334 13.7944 14.2489 14.2672 14.4153 14.4159 k = 0.3375 0.1949-0.0000 ( 4692 PWs) bands (ev): -29.6473 -29.6473 -29.6297 -29.6296 -11.0299 -11.0263 -10.9672 -10.9635 -10.6813 -10.6770 -10.6204 -10.6193 -10.5810 -10.5807 -10.5533 -10.5507 -0.4213 -0.4116 0.0293 0.0517 4.9277 4.9718 5.1134 5.1980 5.3696 5.4792 5.5105 5.5382 5.7008 5.7814 5.9277 5.9418 6.4384 6.5881 6.6188 6.7424 6.7910 6.9460 7.1146 7.1962 7.4420 7.5836 7.9998 8.0777 8.2611 8.4106 9.3208 9.3636 9.8019 9.8144 10.5636 10.6776 12.1026 12.1059 12.8584 12.9426 13.7591 13.8203 14.2648 14.2882 14.4256 14.4289 k = 0.3500 0.2021-0.0000 ( 4690 PWs) bands (ev): -29.6472 -29.6472 -29.6296 -29.6296 -11.0296 -11.0262 -10.9677 -10.9643 -10.6813 -10.6772 -10.6214 -10.6203 -10.5816 -10.5813 -10.5533 -10.5508 -0.3854 -0.3751 0.0321 0.0546 4.9171 4.9605 5.1171 5.2026 5.3862 5.4872 5.5051 5.5432 5.6922 5.7832 5.9392 5.9430 6.4509 6.5900 6.6217 6.7452 6.8047 6.9575 7.1004 7.1918 7.4339 7.5462 7.9281 8.0107 8.2656 8.4004 9.2855 9.3293 9.7424 9.7501 10.5025 10.6134 12.0787 12.0791 12.8711 12.9548 13.7819 13.8429 14.2784 14.3070 14.4371 14.4442 k = 0.3625 0.2093-0.0000 ( 4692 PWs) bands (ev): -29.6471 -29.6471 -29.6296 -29.6296 -11.0294 -11.0262 -10.9682 -10.9650 -10.6813 -10.6774 -10.6224 -10.6213 -10.5822 -10.5819 -10.5533 -10.5510 -0.3504 -0.3395 0.0341 0.0566 4.9068 4.9488 5.1206 5.2059 5.4040 5.4945 5.5003 5.5478 5.6833 5.7830 5.9455 5.9505 6.4637 6.5894 6.6276 6.7476 6.8194 6.9688 7.0872 7.1874 7.4245 7.5117 7.8459 7.9386 8.2862 8.4042 9.2524 9.2972 9.6862 9.6898 10.4446 10.5515 12.0539 12.0556 12.8832 12.9653 13.8024 13.8627 14.2908 14.3240 14.4496 14.4599 k = 0.3750 0.2165-0.0000 ( 4688 PWs) bands (ev): -29.6471 -29.6471 -29.6295 -29.6295 -11.0292 -11.0262 -10.9687 -10.9657 -10.6813 -10.6777 -10.6233 -10.6222 -10.5827 -10.5824 -10.5533 -10.5511 -0.3165 -0.3050 0.0353 0.0577 4.8968 4.9369 5.1240 5.2079 5.4225 5.4965 5.5009 5.5520 5.6743 5.7805 5.9496 5.9615 6.4769 6.5879 6.6355 6.7499 6.8349 6.9795 7.0751 7.1832 7.4141 7.4805 7.7616 7.8653 8.3139 8.4171 9.2215 9.2674 9.6336 9.6337 10.3900 10.4923 12.0306 12.0338 12.8946 12.9738 13.8209 13.8798 14.3030 14.3398 14.4623 14.4751 k = 0.3875 0.2237-0.0000 ( 4700 PWs) bands (ev): -29.6470 -29.6470 -29.6295 -29.6295 -11.0291 -11.0263 -10.9691 -10.9664 -10.6813 -10.6780 -10.6241 -10.6231 -10.5832 -10.5830 -10.5532 -10.5513 -0.2840 -0.2719 0.0355 0.0576 4.8872 4.9249 5.1274 5.2083 5.4411 5.4944 5.5062 5.5561 5.6655 5.7755 5.9552 5.9719 6.4902 6.5865 6.6450 6.7521 6.8509 6.9897 7.0641 7.1790 7.4030 7.4526 7.6793 7.7935 8.3447 8.4356 9.1934 9.2400 9.5818 9.5846 10.3391 10.4359 12.0093 12.0134 12.9052 12.9802 13.8378 13.8944 14.3154 14.3545 14.4747 14.4891 k = 0.4000 0.2309-0.0000 ( 4702 PWs) bands (ev): -29.6470 -29.6470 -29.6295 -29.6294 -11.0288 -11.0263 -10.9695 -10.9670 -10.6812 -10.6782 -10.6249 -10.6240 -10.5836 -10.5834 -10.5532 -10.5515 -0.2528 -0.2402 0.0347 0.0564 4.8783 4.9131 5.1308 5.2074 5.4582 5.4956 5.5100 5.5603 5.6571 5.7682 5.9621 5.9816 6.5035 6.5854 6.6560 6.7542 6.8672 6.9990 7.0541 7.1743 7.3916 7.4280 7.6012 7.7249 8.3764 8.4571 9.1684 9.2152 9.5345 9.5397 10.2923 10.3827 11.9901 11.9947 12.9149 12.9848 13.8532 13.9065 14.3282 14.3683 14.4862 14.5013 k = 0.4125 0.2382-0.0000 ( 4702 PWs) bands (ev): -29.6469 -29.6469 -29.6294 -29.6294 -11.0286 -11.0264 -10.9699 -10.9676 -10.6811 -10.6784 -10.6255 -10.6247 -10.5840 -10.5838 -10.5532 -10.5516 -0.2234 -0.2104 0.0328 0.0541 4.8702 4.9016 5.1343 5.2051 5.4699 5.5037 5.5122 5.5649 5.6493 5.7587 5.9700 5.9904 6.5165 6.5848 6.6685 6.7563 6.8833 7.0074 7.0454 7.1683 7.3801 7.4065 7.5293 7.6607 8.4076 8.4795 9.1468 9.1930 9.4920 9.4988 10.2501 10.3330 11.9732 11.9779 12.9238 12.9874 13.8674 13.9164 14.3414 14.3810 14.4968 14.5118 k = 0.4250 0.2454-0.0000 ( 4694 PWs) bands (ev): -29.6469 -29.6469 -29.6294 -29.6294 -11.0284 -11.0264 -10.9701 -10.9682 -10.6810 -10.6786 -10.6261 -10.6254 -10.5843 -10.5841 -10.5531 -10.5518 -0.1958 -0.1826 0.0301 0.0505 4.8630 4.8907 5.1380 5.2016 5.4753 5.5129 5.5198 5.5698 5.6419 5.7473 5.9782 5.9981 6.5291 6.5846 6.6825 6.7586 6.8991 7.0145 7.0380 7.1597 7.3688 7.3884 7.4658 7.6016 8.4376 8.5012 9.1290 9.1735 9.4544 9.4623 10.2129 10.2873 11.9585 11.9630 12.9320 12.9884 13.8802 13.9241 14.3548 14.3923 14.5062 14.5204 k = 0.4375 0.2526-0.0000 ( 4698 PWs) bands (ev): -29.6469 -29.6469 -29.6294 -29.6294 -11.0281 -11.0265 -10.9703 -10.9687 -10.6808 -10.6789 -10.6266 -10.6260 -10.5846 -10.5844 -10.5531 -10.5519 -0.1705 -0.1573 0.0264 0.0457 4.8570 4.8806 5.1420 5.1972 5.4782 5.5120 5.5398 5.5751 5.6349 5.7340 5.9865 6.0046 6.5409 6.5846 6.6978 6.7611 6.9145 7.0202 7.0321 7.1466 7.3580 7.3736 7.4135 7.5484 8.4654 8.5207 9.1152 9.1566 9.4221 9.4303 10.1815 10.2460 11.9461 11.9502 12.9395 12.9879 13.8919 13.9298 14.3680 14.4020 14.5145 14.5272 k = 0.4500 0.2598-0.0000 ( 4704 PWs) bands (ev): -29.6469 -29.6469 -29.6293 -29.6293 -11.0279 -11.0266 -10.9705 -10.9692 -10.6807 -10.6791 -10.6270 -10.6265 -10.5848 -10.5847 -10.5530 -10.5521 -0.1477 -0.1349 0.0222 0.0399 4.8523 4.8714 5.1464 5.1919 5.4807 5.5100 5.5611 5.5807 5.6284 5.7191 5.9944 6.0097 6.5516 6.5847 6.7138 6.7635 6.9294 7.0242 7.0282 7.1271 7.3478 7.3607 7.3765 7.5015 8.4905 8.5368 9.1057 9.1421 9.3954 9.4031 10.1562 10.2098 11.9360 11.9396 12.9464 12.9860 13.9022 13.9334 14.3805 14.4096 14.5216 14.5324 k = 0.4625 0.2670-0.0000 ( 4698 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0277 -11.0267 -10.9705 -10.9695 -10.6805 -10.6793 -10.6272 -10.6269 -10.5850 -10.5849 -10.5529 -10.5522 -0.1277 -0.1162 0.0179 0.0332 4.8490 4.8635 5.1512 5.1861 5.4837 5.5070 5.5828 5.5865 5.6222 5.7028 6.0014 6.0134 6.5609 6.5845 6.7296 6.7657 6.9444 7.0260 7.0265 7.1014 7.3387 7.3429 7.3629 7.4612 8.5123 8.5485 9.1002 9.1299 9.3744 9.3810 10.1377 10.1791 11.9283 11.9311 12.9529 12.9832 13.9113 13.9352 14.3919 14.4148 14.5276 14.5360 k = 0.4750 0.2742-0.0000 ( 4698 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0275 -11.0269 -10.9705 -10.9699 -10.6803 -10.6795 -10.6274 -10.6272 -10.5851 -10.5850 -10.5528 -10.5523 -0.1113 -0.1021 0.0145 0.0262 4.8472 4.8570 5.1563 5.1800 5.4872 5.5034 5.5923 5.6040 5.6165 5.6852 6.0073 6.0154 6.5686 6.5837 6.7439 6.7670 6.9606 7.0249 7.0271 7.0727 7.3293 7.3310 7.3621 7.4277 8.5302 8.5552 9.0986 9.1196 9.3596 9.3644 10.1263 10.1545 11.9230 11.9249 12.9590 12.9794 13.9191 13.9352 14.4016 14.4174 14.5324 14.5381 k = 0.4875 0.2815-0.0000 ( 4694 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0273 -11.0270 -10.9705 -10.9701 -10.6801 -10.6797 -10.6275 -10.6274 -10.5851 -10.5851 -10.5527 -10.5525 -0.0994 -0.0941 0.0132 0.0197 4.8471 4.8521 5.1618 5.1738 5.4911 5.4994 5.5981 5.6095 5.6264 5.6665 6.0117 6.0159 6.5746 6.5819 6.7552 6.7664 6.9792 7.0178 7.0299 7.0478 7.3231 7.3253 7.3683 7.4010 8.5438 8.5566 9.1003 9.1112 9.3511 9.3536 10.1223 10.1366 11.9200 11.9209 12.9647 12.9750 13.9254 13.9336 14.4093 14.4174 14.5359 14.5388 k = 0.5000 0.2887-0.0000 ( 4690 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0272 -11.0272 -10.9703 -10.9703 -10.6799 -10.6799 -10.6275 -10.6275 -10.5851 -10.5851 -10.5526 -10.5526 -0.0933 -0.0933 0.0150 0.0150 4.8488 4.8488 5.1677 5.1677 5.4952 5.4952 5.6039 5.6039 5.6467 5.6467 6.0146 6.0146 6.5790 6.5790 6.7627 6.7627 7.0002 7.0002 7.0352 7.0352 7.3224 7.3224 7.3813 7.3813 8.5528 8.5528 9.1047 9.1047 9.3492 9.3492 10.1258 10.1258 11.9193 11.9193 12.9701 12.9701 13.9303 13.9303 14.4147 14.4147 14.5380 14.5380 k = 0.5000 0.2887-0.0000 ( 4690 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0272 -11.0272 -10.9703 -10.9703 -10.6799 -10.6799 -10.6275 -10.6275 -10.5851 -10.5851 -10.5526 -10.5526 -0.0933 -0.0933 0.0150 0.0150 4.8488 4.8488 5.1677 5.1677 5.4952 5.4952 5.6039 5.6039 5.6467 5.6467 6.0146 6.0146 6.5790 6.5790 6.7627 6.7627 7.0002 7.0002 7.0352 7.0352 7.3224 7.3224 7.3813 7.3813 8.5528 8.5528 9.1047 9.1047 9.3492 9.3492 10.1258 10.1258 11.9193 11.9193 12.9701 12.9701 13.9303 13.9303 14.4147 14.4147 14.5380 14.5380 k = 0.4928 0.3012-0.0000 ( 4682 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0272 -11.0271 -10.9703 -10.9702 -10.6800 -10.6799 -10.6275 -10.6274 -10.5852 -10.5852 -10.5526 -10.5525 -0.0933 -0.0924 0.0149 0.0156 4.8476 4.8528 5.1673 5.1689 5.4923 5.4986 5.5985 5.6083 5.6380 5.6561 6.0063 6.0228 6.5732 6.5808 6.7597 6.7678 6.9951 7.0042 7.0300 7.0406 7.3189 7.3234 7.3818 7.3836 8.5134 8.5872 9.0673 9.1332 9.3286 9.3675 10.1109 10.1393 11.9155 11.9402 12.9682 12.9758 13.9272 13.9328 14.3945 14.4341 14.5198 14.5581 k = 0.4855 0.3138-0.0000 ( 4686 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0273 -11.0271 -10.9704 -10.9702 -10.6800 -10.6798 -10.6276 -10.6274 -10.5852 -10.5852 -10.5527 -10.5525 -0.0927 -0.0909 0.0153 0.0166 4.8492 4.8596 5.1676 5.1708 5.4900 5.5026 5.5927 5.6100 5.6315 5.6654 5.9979 6.0307 6.5637 6.5788 6.7585 6.7748 6.9891 7.0071 7.0250 7.0462 7.3141 7.3216 7.3843 7.3890 8.4694 8.6160 9.0226 9.1528 9.3065 9.3834 10.0951 10.1512 11.9286 11.9774 12.9701 12.9854 13.9232 13.9346 14.3749 14.4493 14.5068 14.5787 k = 0.4783 0.3263-0.0000 ( 4686 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0273 -11.0270 -10.9705 -10.9701 -10.6800 -10.6798 -10.6277 -10.6275 -10.5853 -10.5852 -10.5529 -10.5525 -0.0914 -0.0887 0.0162 0.0182 4.8534 4.8692 5.1687 5.1734 5.4882 5.5071 5.5866 5.6060 5.6304 5.6744 5.9897 6.0383 6.5509 6.5732 6.7587 6.7836 6.9826 7.0087 7.0203 7.0518 7.3090 7.3171 7.3879 7.3973 8.4205 8.6370 8.9736 9.1639 9.2833 9.3969 10.0785 10.1611 11.9580 12.0294 12.9759 12.9988 13.9186 13.9357 14.3563 14.4519 14.5074 14.5992 k = 0.4710 0.3389-0.0000 ( 4690 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0274 -11.0269 -10.9706 -10.9701 -10.6800 -10.6797 -10.6278 -10.6276 -10.5854 -10.5853 -10.5530 -10.5525 -0.0894 -0.0858 0.0176 0.0202 4.8602 4.8817 5.1706 5.1767 5.4870 5.5120 5.5806 5.5978 5.6333 5.6831 5.9816 6.0453 6.5352 6.5645 6.7598 6.7936 6.9757 7.0090 7.0158 7.0574 7.3041 7.3104 7.3921 7.4075 8.3667 8.6457 8.9264 9.1676 9.2600 9.4081 10.0614 10.1687 12.0020 12.0945 12.9853 13.0159 13.9130 13.9361 14.3393 14.4418 14.5218 14.6193 k = 0.4638 0.3514-0.0000 ( 4686 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0274 -11.0269 -10.9706 -10.9701 -10.6801 -10.6796 -10.6280 -10.6277 -10.5855 -10.5854 -10.5532 -10.5525 -0.0867 -0.0822 0.0194 0.0227 4.8694 4.8969 5.1733 5.1807 5.4863 5.5172 5.5746 5.5884 5.6375 5.6915 5.9739 6.0517 6.5172 6.5532 6.7612 6.8044 6.9686 7.0078 7.0116 7.0629 7.2998 7.3020 7.3967 7.4191 8.3082 8.6335 8.8913 9.1653 9.2370 9.4173 10.0440 10.1737 12.0587 12.1704 12.9983 13.0365 13.9066 13.9357 14.3242 14.4280 14.5412 14.6387 k = 0.4565 0.3640-0.0000 ( 4688 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0275 -11.0268 -10.9707 -10.9701 -10.6801 -10.6796 -10.6281 -10.6278 -10.5856 -10.5856 -10.5533 -10.5525 -0.0834 -0.0780 0.0217 0.0255 4.8808 4.9147 5.1767 5.1854 5.4860 5.5223 5.5688 5.5790 5.6420 5.6993 5.9666 6.0574 6.4974 6.5397 6.7626 6.8156 6.9618 7.0051 7.0076 7.0684 7.2921 7.2962 7.4014 7.4314 8.2450 8.5941 8.8765 9.1587 9.2149 9.4245 10.0264 10.1758 12.1257 12.2549 13.0147 13.0606 13.8992 13.9343 14.3109 14.4142 14.5619 14.6573 k = 0.4493 0.3765-0.0000 ( 4684 PWs) bands (ev): -29.6467 -29.6467 -29.6293 -29.6293 -11.0275 -11.0268 -10.9708 -10.9701 -10.6801 -10.6795 -10.6283 -10.6280 -10.5858 -10.5857 -10.5535 -10.5526 -0.0795 -0.0732 0.0242 0.0287 4.8942 4.9350 5.1808 5.1908 5.4862 5.5264 5.5635 5.5710 5.6465 5.7067 5.9598 6.0622 6.4759 6.5242 6.7635 6.8269 6.9553 7.0011 7.0038 7.0739 7.2810 7.2932 7.4064 7.4443 8.1777 8.5317 8.8796 9.1496 9.1943 9.4298 10.0087 10.1746 12.2005 12.3458 13.0343 13.0878 13.8909 13.9317 14.2996 14.4019 14.5829 14.6750 k = 0.4420 0.3891-0.0000 ( 4680 PWs) bands (ev): -29.6467 -29.6467 -29.6293 -29.6292 -11.0275 -11.0267 -10.9709 -10.9701 -10.6800 -10.6794 -10.6285 -10.6282 -10.5859 -10.5858 -10.5536 -10.5527 -0.0749 -0.0677 0.0270 0.0321 4.9092 4.9577 5.1856 5.1969 5.4867 5.5278 5.5586 5.5662 5.6510 5.7136 5.9537 6.0660 6.4531 6.5070 6.7638 6.8380 6.9494 6.9957 7.0003 7.0793 7.2686 7.2907 7.4114 7.4573 8.1071 8.4558 8.8929 9.1394 9.1758 9.4330 9.9910 10.1702 12.2808 12.4410 13.0569 13.1179 13.8816 13.9279 14.2903 14.3916 14.6036 14.6917 k = 0.4348 0.4016-0.0000 ( 4686 PWs) bands (ev): -29.6467 -29.6467 -29.6292 -29.6292 -11.0275 -11.0267 -10.9709 -10.9701 -10.6800 -10.6793 -10.6288 -10.6284 -10.5861 -10.5860 -10.5538 -10.5528 -0.0699 -0.0618 0.0301 0.0357 4.9254 4.9825 5.1911 5.2038 5.4875 5.5249 5.5545 5.5666 5.6555 5.7200 5.9483 6.0686 6.4293 6.4883 6.7632 6.8485 6.9442 6.9892 6.9971 7.0846 7.2549 7.2885 7.4167 7.4703 8.0340 8.3733 8.9109 9.1292 9.1600 9.4342 9.9733 10.1621 12.3641 12.5385 13.0821 13.1506 13.8713 13.9224 14.2827 14.3837 14.6240 14.7072 k = 0.4275 0.4142-0.0000 ( 4682 PWs) bands (ev): -29.6467 -29.6467 -29.6292 -29.6292 -11.0275 -11.0266 -10.9710 -10.9702 -10.6800 -10.6792 -10.6290 -10.6286 -10.5863 -10.5862 -10.5540 -10.5530 -0.0645 -0.0554 0.0333 0.0394 4.9423 5.0091 5.1972 5.2115 5.4887 5.5183 5.5512 5.5714 5.6598 5.7258 5.9438 6.0700 6.4045 6.4682 6.7615 6.8580 6.9395 6.9821 6.9944 7.0900 7.2400 7.2863 7.4221 7.4832 7.9597 8.2885 8.9303 9.1198 9.1478 9.4336 9.9556 10.1505 12.4484 12.6365 13.1097 13.1856 13.8599 13.9152 14.2769 14.3786 14.6442 14.7216 k = 0.4203 0.4267-0.0000 ( 4688 PWs) bands (ev): -29.6467 -29.6467 -29.6292 -29.6292 -11.0275 -11.0266 -10.9711 -10.9702 -10.6799 -10.6792 -10.6293 -10.6289 -10.5865 -10.5864 -10.5542 -10.5531 -0.0586 -0.0485 0.0365 0.0431 4.9596 5.0373 5.2039 5.2201 5.4903 5.5101 5.5489 5.5790 5.6641 5.7310 5.9404 6.0701 6.3790 6.4467 6.7587 6.8659 6.9353 6.9749 6.9924 7.0953 7.2240 7.2838 7.4278 7.4956 7.8855 8.2042 8.9489 9.1118 9.1404 9.4312 9.9381 10.1352 12.5318 12.7333 13.1392 13.2225 13.8475 13.9059 14.2725 14.3764 14.6642 14.7344 k = 0.4130 0.4393-0.0000 ( 4686 PWs) bands (ev): -29.6467 -29.6467 -29.6292 -29.6292 -11.0275 -11.0266 -10.9712 -10.9703 -10.6799 -10.6791 -10.6295 -10.6292 -10.5867 -10.5866 -10.5543 -10.5533 -0.0523 -0.0412 0.0396 0.0467 4.9765 5.0664 5.2111 5.2294 5.4926 5.5016 5.5476 5.5880 5.6684 5.7356 5.9381 6.0688 6.3529 6.4238 6.7549 6.8714 6.9310 6.9686 6.9914 7.1007 7.2070 7.2809 7.4338 7.5076 7.8126 8.1223 8.9648 9.1053 9.1392 9.4274 9.9205 10.1163 12.6125 12.8276 13.1704 13.2609 13.8339 13.8946 14.2697 14.3773 14.6843 14.7446 k = 0.4058 0.4518-0.0000 ( 4690 PWs) bands (ev): -29.6466 -29.6466 -29.6292 -29.6292 -11.0275 -11.0265 -10.9713 -10.9704 -10.6798 -10.6790 -10.6298 -10.6294 -10.5869 -10.5868 -10.5545 -10.5535 -0.0457 -0.0336 0.0426 0.0501 4.9926 5.0960 5.2187 5.2393 5.4935 5.4959 5.5474 5.5979 5.6728 5.7394 5.9372 6.0660 6.3264 6.3995 6.7501 6.8732 6.9261 6.9644 6.9918 7.1060 7.1893 7.2772 7.4400 7.5188 7.7426 8.0443 8.9767 9.1004 9.1455 9.4225 9.9031 10.0939 12.6890 12.9178 13.2027 13.3004 13.8188 13.8809 14.2684 14.3814 14.7047 14.7482 k = 0.3986 0.4644-0.0000 ( 4686 PWs) bands (ev): -29.6466 -29.6466 -29.6292 -29.6292 -11.0274 -11.0265 -10.9714 -10.9705 -10.6798 -10.6789 -10.6301 -10.6297 -10.5870 -10.5869 -10.5546 -10.5536 -0.0389 -0.0258 0.0454 0.0532 5.0074 5.1253 5.2268 5.2495 5.4864 5.5007 5.5482 5.6084 5.6772 5.7424 5.9377 6.0619 6.2995 6.3736 6.7445 6.8707 6.9200 6.9634 6.9940 7.1113 7.1713 7.2724 7.4464 7.5293 7.6768 7.9715 8.9844 9.0968 9.1593 9.4167 9.8859 10.0681 12.7602 13.0031 13.2357 13.3402 13.8023 13.8651 14.2689 14.3890 14.7254 14.7345 k = 0.3913 0.4769-0.0000 ( 4696 PWs) bands (ev): -29.6466 -29.6466 -29.6292 -29.6292 -11.0274 -11.0265 -10.9715 -10.9706 -10.6797 -10.6789 -10.6303 -10.6300 -10.5872 -10.5871 -10.5548 -10.5538 -0.0320 -0.0177 0.0478 0.0558 5.0204 5.1536 5.2352 5.2595 5.4807 5.5070 5.5504 5.6192 5.6819 5.7444 5.9400 6.0566 6.2725 6.3463 6.7384 6.8640 6.9122 6.9657 6.9979 7.1165 7.1537 7.2662 7.4531 7.5387 7.6165 7.9047 8.9888 9.0942 9.1795 9.4105 9.8691 10.0393 12.8249 13.0824 13.2689 13.3799 13.7841 13.8473 14.2716 14.4001 14.7040 14.7450 k = 0.3841 0.4895-0.0000 ( 4690 PWs) bands (ev): -29.6466 -29.6466 -29.6292 -29.6291 -11.0273 -11.0265 -10.9715 -10.9707 -10.6796 -10.6789 -10.6306 -10.6303 -10.5874 -10.5873 -10.5549 -10.5540 -0.0250 -0.0096 0.0497 0.0580 5.0315 5.1798 5.2440 5.2686 5.4769 5.5143 5.5549 5.6300 5.6867 5.7454 5.9441 6.0504 6.2456 6.3174 6.7320 6.8544 6.9025 6.9706 7.0035 7.1217 7.1372 7.2583 7.4601 7.5469 7.5630 7.8446 8.9917 9.0921 9.2044 9.4042 9.8529 10.0078 12.8826 13.1552 13.3017 13.4185 13.7642 13.8277 14.2770 14.4147 14.6690 14.7261 k = 0.3768 0.5020-0.0000 ( 4700 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0273 -11.0265 -10.9716 -10.9708 -10.6796 -10.6789 -10.6308 -10.6306 -10.5876 -10.5874 -10.5550 -10.5541 -0.0180 -0.0014 0.0511 0.0593 5.0405 5.2029 5.2528 5.2763 5.4754 5.5211 5.5635 5.6404 5.6917 5.7451 5.9500 6.0438 6.2191 6.2872 6.7255 6.8435 6.8910 6.9769 7.0101 7.1230 7.1267 7.2481 7.4673 7.5172 7.5535 7.7916 8.9943 9.0901 9.2323 9.3983 9.8378 9.9742 12.9326 13.2211 13.3335 13.4548 13.7430 13.8068 14.2853 14.4330 14.6339 14.6911 k = 0.3696 0.5146-0.0000 ( 4694 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0272 -11.0266 -10.9716 -10.9710 -10.6795 -10.6788 -10.6310 -10.6308 -10.5877 -10.5876 -10.5550 -10.5543 -0.0112 0.0068 0.0519 0.0599 5.0477 5.2222 5.2615 5.2820 5.4766 5.5253 5.5776 5.6500 5.6965 5.7434 5.9580 6.0375 6.1935 6.2561 6.7194 6.8327 6.8780 6.9839 7.0166 7.1124 7.1315 7.2355 7.4743 7.4805 7.5581 7.7462 8.9978 9.0876 9.2617 9.3931 9.8241 9.9392 12.9746 13.2798 13.3637 13.4869 13.7215 13.7853 14.2970 14.4546 14.6004 14.6578 k = 0.3623 0.5271-0.0000 ( 4702 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0272 -11.0266 -10.9716 -10.9711 -10.6794 -10.6789 -10.6312 -10.6310 -10.5878 -10.5877 -10.5550 -10.5544 -0.0048 0.0149 0.0519 0.0595 5.0530 5.2376 5.2693 5.2858 5.4804 5.5266 5.5970 5.6584 5.7003 5.7402 5.9677 6.0322 6.1696 6.2248 6.7137 6.8233 6.8642 6.9911 7.0216 7.1070 7.1358 7.2202 7.4512 7.4831 7.5599 7.7090 9.0029 9.0837 9.2911 9.3888 9.8125 9.9039 13.0086 13.3314 13.3914 13.5120 13.7019 13.7639 14.3118 14.4794 14.5699 14.6273 k = 0.3551 0.5397-0.0000 ( 4702 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0271 -11.0267 -10.9716 -10.9712 -10.6794 -10.6789 -10.6313 -10.6312 -10.5879 -10.5878 -10.5550 -10.5546 0.0012 0.0229 0.0513 0.0580 5.0568 5.2495 5.2755 5.2877 5.4866 5.5255 5.6198 5.6655 5.7020 5.7353 5.9791 6.0285 6.1486 6.1945 6.7090 6.8163 6.8504 6.9981 7.0236 7.1082 7.1396 7.2028 7.4311 7.4918 7.5578 7.6808 9.0099 9.0781 9.3188 9.3855 9.8037 9.8699 13.0345 13.3764 13.4160 13.5253 13.6881 13.7435 14.3288 14.5061 14.5439 14.6010 k = 0.3478 0.5522-0.0000 ( 4706 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0270 -11.0267 -10.9716 -10.9713 -10.6793 -10.6790 -10.6314 -10.6313 -10.5880 -10.5879 -10.5550 -10.5547 0.0062 0.0305 0.0501 0.0553 5.0593 5.2584 5.2798 5.2879 5.4943 5.5225 5.6438 5.6714 5.7000 5.7289 5.9916 6.0260 6.1328 6.1668 6.7053 6.8126 6.8375 7.0045 7.0224 7.1161 7.1427 7.1840 7.4183 7.5014 7.5506 7.6623 9.0193 9.0701 9.3425 9.3833 9.7986 9.8394 13.0525 13.4148 13.4365 13.5228 13.6842 13.7252 14.3458 14.5251 14.5301 14.5837 k = 0.3406 0.5648-0.0000 ( 4710 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0270 -11.0268 -10.9716 -10.9714 -10.6792 -10.6790 -10.6315 -10.6314 -10.5881 -10.5879 -10.5550 -10.5548 0.0099 0.0377 0.0488 0.0513 5.0607 5.2642 5.2824 5.2868 5.5026 5.5176 5.6668 5.6762 5.6936 5.7216 6.0043 6.0225 6.1255 6.1441 6.7031 6.8129 6.8263 7.0102 7.0190 7.1291 7.1447 7.1647 7.4116 7.5124 7.5391 7.6529 9.0311 9.0593 9.3592 9.3820 9.7978 9.8156 13.0630 13.4464 13.4521 13.5057 13.6893 13.7099 14.3586 14.5172 14.5345 14.5911 k = 0.3333 0.5774-0.0000 ( 4704 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0269 -11.0269 -10.9715 -10.9715 -10.6791 -10.6791 -10.6315 -10.6314 -10.5881 -10.5879 -10.5549 -10.5549 0.0114 0.0427 0.0479 0.0479 5.0611 5.2664 5.2847 5.2847 5.5108 5.5108 5.6794 5.6833 5.6833 5.7169 6.0152 6.0152 6.1294 6.1294 6.7024 6.8176 6.8176 7.0149 7.0149 7.1457 7.1457 7.1458 7.4097 7.5253 7.5253 7.6502 9.0454 9.0454 9.3655 9.3816 9.8022 9.8022 13.0664 13.4623 13.4623 13.4886 13.6984 13.6984 14.3632 14.5232 14.5232 14.6123 k = 0.3333 0.5774-0.0000 ( 4704 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0269 -11.0269 -10.9715 -10.9715 -10.6791 -10.6791 -10.6315 -10.6314 -10.5881 -10.5879 -10.5549 -10.5549 0.0114 0.0427 0.0479 0.0479 5.0611 5.2664 5.2847 5.2847 5.5108 5.5108 5.6794 5.6833 5.6833 5.7169 6.0152 6.0152 6.1294 6.1294 6.7024 6.8176 6.8176 7.0149 7.0149 7.1457 7.1457 7.1458 7.4097 7.5253 7.5253 7.6502 9.0454 9.0454 9.3655 9.3816 9.8022 9.8022 13.0664 13.4623 13.4623 13.4886 13.6984 13.6984 14.3632 14.5232 14.5232 14.6123 k = 0.3261 0.5648-0.0000 ( 4708 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0270 -11.0268 -10.9716 -10.9714 -10.6792 -10.6790 -10.6315 -10.6314 -10.5881 -10.5879 -10.5550 -10.5548 0.0097 0.0374 0.0481 0.0525 5.0607 5.2643 5.2818 5.2876 5.5018 5.5182 5.6677 5.6832 5.6834 5.7241 6.0041 6.0225 6.1259 6.1436 6.7030 6.8124 6.8271 7.0109 7.0185 7.1279 7.1460 7.1647 7.4112 7.5116 7.5409 7.6523 9.0281 9.0622 9.3586 9.3820 9.8021 9.8122 13.0632 13.4361 13.4668 13.5026 13.6909 13.7073 14.3595 14.5115 14.5394 14.6037 k = 0.3188 0.5522-0.0000 ( 4714 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0271 -11.0267 -10.9717 -10.9713 -10.6793 -10.6789 -10.6314 -10.6313 -10.5880 -10.5879 -10.5550 -10.5547 0.0045 0.0287 0.0496 0.0584 5.0597 5.2584 5.2784 5.2906 5.4904 5.5244 5.6510 5.6718 5.6856 5.7376 5.9909 6.0256 6.1340 6.1647 6.7047 6.8115 6.8411 7.0078 7.0208 7.1119 7.1453 7.1851 7.4148 7.4994 7.5598 7.6579 9.0075 9.0812 9.3382 9.3834 9.8162 9.8281 13.0542 13.3990 13.4661 13.5195 13.6868 13.7135 14.3512 14.5028 14.5517 14.5945 k = 0.3116 0.5397-0.0000 ( 4706 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0272 -11.0266 -10.9717 -10.9711 -10.6794 -10.6788 -10.6313 -10.6311 -10.5879 -10.5878 -10.5551 -10.5545 -0.0037 0.0179 0.0521 0.0639 5.0581 5.2495 5.2745 5.2934 5.4763 5.5293 5.6337 5.6574 5.6872 5.7497 5.9772 6.0270 6.1509 6.1891 6.7067 6.8155 6.8591 7.0065 7.0219 7.0985 7.1444 7.2062 7.4196 7.4899 7.5829 7.6667 8.9835 9.1020 9.3068 9.3861 9.8428 9.8498 13.0401 13.3592 13.4612 13.5329 13.6851 13.7161 14.3414 14.4976 14.5537 14.5784 k = 0.3043 0.5271-0.0000 ( 4700 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0273 -11.0265 -10.9717 -10.9709 -10.6796 -10.6787 -10.6311 -10.6309 -10.5878 -10.5877 -10.5551 -10.5544 -0.0147 0.0052 0.0549 0.0690 5.0559 5.2377 5.2703 5.2956 5.4597 5.5327 5.6172 5.6426 5.6881 5.7591 5.9639 6.0287 6.1732 6.2139 6.7085 6.8244 6.8793 7.0078 7.0221 7.0886 7.1438 7.2278 7.4246 7.4834 7.6108 7.6789 8.9562 9.1227 9.2690 9.3905 9.8772 9.8792 13.0218 13.3182 13.4528 13.5424 13.6845 13.7142 14.3319 14.4954 14.5540 14.5651 k = 0.2971 0.5146-0.0000 ( 4706 PWs) bands (ev): -29.6466 -29.6466 -29.6292 -29.6291 -11.0274 -11.0264 -10.9717 -10.9707 -10.6797 -10.6786 -10.6309 -10.6306 -10.5876 -10.5875 -10.5551 -10.5542 -0.0282 -0.0094 0.0576 0.0733 5.0533 5.2234 5.2658 5.2973 5.4407 5.5347 5.6024 5.6285 5.6885 5.7660 5.9515 6.0315 6.1982 6.2374 6.7096 6.8367 6.8985 7.0132 7.0229 7.0832 7.1448 7.2495 7.4294 7.4804 7.6437 7.6950 8.9258 9.1357 9.2351 9.3971 9.9099 9.9231 13.0002 13.2768 13.4420 13.5482 13.6837 13.7078 14.3233 14.4947 14.5566 14.5574 k = 0.2899 0.5020-0.0000 ( 4708 PWs) bands (ev): -29.6466 -29.6466 -29.6292 -29.6292 -11.0276 -11.0263 -10.9716 -10.9704 -10.6798 -10.6785 -10.6306 -10.6303 -10.5874 -10.5873 -10.5551 -10.5540 -0.0439 -0.0261 0.0600 0.0771 5.0503 5.2068 5.2611 5.2984 5.4201 5.5357 5.5899 5.6158 5.6885 5.7711 5.9400 6.0350 6.2246 6.2584 6.7102 6.8498 6.9115 7.0243 7.0259 7.0836 7.1498 7.2717 7.4338 7.4809 7.6817 7.7159 8.8928 9.1200 9.2282 9.4064 9.9473 9.9725 12.9760 13.2356 13.4292 13.5504 13.6818 13.6968 14.3158 14.4930 14.5560 14.5648 k = 0.2826 0.4895-0.0000 ( 4706 PWs) bands (ev): -29.6466 -29.6466 -29.6292 -29.6292 -11.0277 -11.0263 -10.9715 -10.9701 -10.6800 -10.6784 -10.6302 -10.6299 -10.5872 -10.5871 -10.5551 -10.5538 -0.0618 -0.0448 0.0619 0.0801 5.0468 5.1884 5.2562 5.2990 5.3986 5.5359 5.5794 5.6044 5.6885 5.7749 5.9294 6.0388 6.2514 6.2762 6.7105 6.8606 6.9147 7.0294 7.0421 7.0898 7.1638 7.2956 7.4376 7.4846 7.7250 7.7423 8.8575 9.0756 9.2498 9.4188 9.9891 10.0262 12.9501 13.1951 13.4149 13.5489 13.6782 13.6816 14.3092 14.4885 14.5645 14.5762 k = 0.2754 0.4769-0.0000 ( 4698 PWs) bands (ev): -29.6467 -29.6467 -29.6292 -29.6292 -11.0279 -11.0262 -10.9714 -10.9697 -10.6802 -10.6783 -10.6297 -10.6293 -10.5869 -10.5868 -10.5550 -10.5536 -0.0818 -0.0655 0.0634 0.0824 5.0430 5.1690 5.2511 5.2991 5.3772 5.5355 5.5708 5.5944 5.6885 5.7781 5.9195 6.0422 6.2780 6.2910 6.7106 6.8673 6.9091 7.0300 7.0653 7.0978 7.1933 7.3233 7.4410 7.4914 7.7732 7.7747 8.8203 9.0208 9.2828 9.4345 10.0348 10.0833 12.9230 13.1554 13.3991 13.5437 13.6625 13.6723 14.3033 14.4820 14.5810 14.5899 k = 0.2681 0.4644-0.0000 ( 4697 PWs) bands (ev): -29.6467 -29.6467 -29.6292 -29.6292 -11.0280 -11.0261 -10.9712 -10.9693 -10.6803 -10.6782 -10.6293 -10.6288 -10.5865 -10.5865 -10.5550 -10.5534 -0.1039 -0.0882 0.0642 0.0840 5.0389 5.1491 5.2457 5.2985 5.3566 5.5348 5.5634 5.5855 5.6888 5.7810 5.9102 6.0449 6.3028 6.3041 6.7106 6.8699 6.8980 7.0273 7.0905 7.1037 7.2390 7.3573 7.4442 7.5009 7.8135 7.8264 8.7819 8.9624 9.3212 9.4539 10.0840 10.1432 12.8953 13.1168 13.3819 13.5344 13.6405 13.6638 14.2979 14.4746 14.5914 14.6022 k = 0.2609 0.4518-0.0000 ( 4701 PWs) bands (ev): -29.6467 -29.6467 -29.6293 -29.6293 -11.0282 -11.0261 -10.9711 -10.9689 -10.6804 -10.6780 -10.6287 -10.6282 -10.5862 -10.5862 -10.5550 -10.5531 -0.1279 -0.1129 0.0644 0.0848 5.0346 5.1294 5.2400 5.2972 5.3375 5.5339 5.5573 5.5774 5.6897 5.7837 5.9013 6.0467 6.3121 6.3295 6.7107 6.8691 6.8835 7.0224 7.1077 7.1139 7.2969 7.3992 7.4472 7.5134 7.8588 7.8841 8.7428 8.9027 9.3635 9.4770 10.1363 10.2055 12.8676 13.0796 13.3633 13.5200 13.6170 13.6526 14.2927 14.4669 14.5546 14.6064 k = 0.2536 0.4393-0.0000 ( 4701 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0284 -11.0260 -10.9708 -10.9684 -10.6806 -10.6779 -10.6281 -10.6275 -10.5858 -10.5858 -10.5549 -10.5529 -0.1538 -0.1395 0.0639 0.0850 5.0301 5.1104 5.2339 5.2951 5.3203 5.5323 5.5523 5.5700 5.6912 5.7865 5.8925 6.0475 6.3194 6.3542 6.7108 6.8659 6.8672 7.0159 7.1111 7.1333 7.3633 7.4477 7.4502 7.5311 7.9104 7.9463 8.7038 8.8429 9.4091 9.5041 10.1913 10.2697 12.8401 13.0439 13.3433 13.4993 13.5936 13.6385 14.2877 14.4579 14.5159 14.5979 k = 0.2464 0.4267-0.0000 ( 4697 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0286 -11.0260 -10.9705 -10.9679 -10.6807 -10.6778 -10.6273 -10.6267 -10.5854 -10.5854 -10.5548 -10.5526 -0.1815 -0.1678 0.0628 0.0844 5.0256 5.0927 5.2272 5.2921 5.3054 5.5298 5.5486 5.5630 5.6934 5.7893 5.8836 6.0474 6.3251 6.3780 6.7110 6.8495 6.8610 7.0083 7.1146 7.1484 7.4360 7.4533 7.4936 7.5625 7.9677 8.0125 8.6655 8.7839 9.4579 9.5350 10.2488 10.3357 12.8133 13.0100 13.3218 13.4713 13.5718 13.6214 14.2826 14.4436 14.4850 14.5808 k = 0.2391 0.4142-0.0000 ( 4689 PWs) bands (ev): -29.6469 -29.6469 -29.6294 -29.6293 -11.0287 -11.0260 -10.9702 -10.9673 -10.6808 -10.6776 -10.6266 -10.6258 -10.5849 -10.5848 -10.5548 -10.5524 -0.2110 -0.1979 0.0612 0.0830 5.0214 5.0766 5.2200 5.2880 5.2928 5.5262 5.5463 5.5563 5.6964 5.7922 5.8746 6.0462 6.3294 6.4010 6.7111 6.8311 6.8549 7.0000 7.1187 7.1598 7.4562 7.5140 7.5245 7.6183 8.0301 8.0824 8.6291 8.7270 9.5096 9.5700 10.3084 10.4032 12.7873 12.9777 13.2988 13.4362 13.5520 13.6013 14.2775 14.4181 14.4686 14.5610 k = 0.2319 0.4016-0.0000 ( 4689 PWs) bands (ev): -29.6469 -29.6469 -29.6294 -29.6294 -11.0289 -11.0259 -10.9698 -10.9668 -10.6809 -10.6774 -10.6257 -10.6250 -10.5844 -10.5843 -10.5547 -10.5522 -0.2420 -0.2295 0.0588 0.0810 5.0175 5.0622 5.2122 5.2824 5.2827 5.5220 5.5451 5.5497 5.7000 5.7952 5.8654 6.0442 6.3327 6.4232 6.7112 6.8120 6.8480 6.9911 7.1235 7.1688 7.4593 7.5464 7.5959 7.6910 8.0961 8.1550 8.5957 8.6735 9.5641 9.6089 10.3699 10.4721 12.7623 12.9474 13.2741 13.3950 13.5335 13.5785 14.2724 14.3871 14.4614 14.5417 k = 0.2246 0.3891-0.0000 ( 4695 PWs) bands (ev): -29.6470 -29.6470 -29.6295 -29.6294 -11.0291 -11.0260 -10.9694 -10.9662 -10.6810 -10.6773 -10.6249 -10.6240 -10.5838 -10.5838 -10.5546 -10.5520 -0.2744 -0.2626 0.0559 0.0783 5.0142 5.0497 5.2039 5.2741 5.2763 5.5175 5.5430 5.5444 5.7040 5.7982 5.8558 6.0414 6.3352 6.4445 6.7113 6.7925 6.8405 6.9816 7.1292 7.1762 7.4623 7.5666 7.6813 7.7721 8.1637 8.2288 8.5674 8.6257 9.6214 9.6516 10.4331 10.5420 12.7386 12.9189 13.2477 13.3491 13.5153 13.5529 14.2673 14.3567 14.4577 14.5243 k = 0.2174 0.3765-0.0000 ( 4695 PWs) bands (ev): -29.6470 -29.6470 -29.6295 -29.6295 -11.0293 -11.0260 -10.9689 -10.9655 -10.6810 -10.6771 -10.6239 -10.6230 -10.5832 -10.5832 -10.5545 -10.5517 -0.3081 -0.2969 0.0524 0.0749 5.0115 5.0392 5.1952 5.2676 5.2687 5.5130 5.5363 5.5441 5.7084 5.8011 5.8458 6.0379 6.3370 6.4649 6.7113 6.7726 6.8325 6.9718 7.1359 7.1825 7.4651 7.5876 7.7698 7.8582 8.2281 8.3003 8.5484 8.5885 9.6815 9.6982 10.4976 10.6130 12.7163 12.8923 13.2195 13.2997 13.4969 13.5250 14.2625 14.3288 14.4561 14.5092 k = 0.2101 0.3640-0.0000 ( 4691 PWs) bands (ev): -29.6471 -29.6471 -29.6295 -29.6295 -11.0295 -11.0260 -10.9684 -10.9648 -10.6811 -10.6770 -10.6229 -10.6220 -10.5826 -10.5825 -10.5544 -10.5515 -0.3429 -0.3323 0.0484 0.0710 5.0096 5.0307 5.1862 5.2599 5.2627 5.5086 5.5294 5.5440 5.7128 5.8040 5.8355 6.0338 6.3382 6.4843 6.7112 6.7524 6.8243 6.9617 7.1436 7.1881 7.4674 7.6101 7.8608 7.9479 8.2800 8.3605 8.5482 8.5714 9.7442 9.7484 10.5634 10.6847 12.6953 12.8677 13.1897 13.2477 13.4775 13.4948 14.2582 14.3036 14.4561 14.4968 k = 0.2029 0.3514-0.0000 ( 4691 PWs) bands (ev): -29.6472 -29.6472 -29.6296 -29.6296 -11.0297 -11.0261 -10.9678 -10.9641 -10.6811 -10.6768 -10.6218 -10.6208 -10.5820 -10.5819 -10.5543 -10.5512 -0.3787 -0.3686 0.0440 0.0665 5.0086 5.0240 5.1771 5.2502 5.2589 5.5043 5.5222 5.5444 5.7169 5.8068 5.8248 6.0293 6.3390 6.5025 6.7110 6.7322 6.8160 6.9512 7.1524 7.1933 7.4692 7.6344 7.9539 8.0401 8.3058 8.3951 8.5819 8.5884 9.8021 9.8094 10.6301 10.7571 12.6759 12.8450 13.1582 13.1940 13.4569 13.4627 14.2547 14.2812 14.4579 14.4869 k = 0.1957 0.3389-0.0000 ( 4719 PWs) bands (ev): -29.6472 -29.6472 -29.6297 -29.6296 -11.0300 -11.0262 -10.9673 -10.9634 -10.6812 -10.6768 -10.6208 -10.6197 -10.5814 -10.5813 -10.5542 -10.5510 -0.4153 -0.4058 0.0390 0.0614 5.0083 5.0191 5.1679 5.2396 5.2562 5.5000 5.5147 5.5451 5.7207 5.8094 5.8138 6.0244 6.3393 6.5194 6.7105 6.7119 6.8077 6.9405 7.1622 7.1979 7.4701 7.6601 8.0485 8.1340 8.3040 8.4067 8.6418 8.6479 9.8592 9.8773 10.6976 10.8300 12.6581 12.8240 13.1252 13.1393 13.4288 13.4346 14.2522 14.2614 14.4615 14.4794 k = 0.1884 0.3263-0.0000 ( 4719 PWs) bands (ev): -29.6473 -29.6473 -29.6297 -29.6297 -11.0302 -11.0263 -10.9666 -10.9626 -10.6812 -10.6766 -10.6196 -10.6186 -10.5808 -10.5806 -10.5541 -10.5508 -0.4523 -0.4434 0.0337 0.0559 5.0088 5.0158 5.1587 5.2283 5.2544 5.4956 5.5068 5.5465 5.7239 5.8026 5.8120 6.0193 6.3392 6.5345 6.6918 6.7099 6.7996 6.9297 7.1729 7.2021 7.4700 7.6867 8.1433 8.2251 8.2927 8.4124 8.7185 8.7305 9.9194 9.9475 10.7658 10.9034 12.6417 12.8046 13.0843 13.0910 13.3933 13.4103 14.2436 14.2511 14.4673 14.4743 k = 0.1812 0.3138-0.0000 ( 4715 PWs) bands (ev): -29.6474 -29.6474 -29.6298 -29.6298 -11.0304 -11.0264 -10.9660 -10.9618 -10.6811 -10.6765 -10.6184 -10.6173 -10.5801 -10.5799 -10.5540 -10.5506 -0.4898 -0.4814 0.0280 0.0501 5.0100 5.0139 5.1496 5.2164 5.2533 5.4910 5.4986 5.5486 5.7262 5.7912 5.8145 6.0139 6.3387 6.5473 6.6725 6.7090 6.7917 6.9187 7.1841 7.2057 7.4688 7.7130 8.2350 8.2564 8.3409 8.4251 8.8073 8.8204 9.9825 10.0201 10.8344 10.9770 12.6269 12.7865 13.0301 13.0558 13.3562 13.3834 14.2272 14.2519 14.4710 14.4755 k = 0.1739 0.3012-0.0000 ( 4715 PWs) bands (ev): -29.6475 -29.6474 -29.6298 -29.6298 -11.0306 -11.0265 -10.9653 -10.9611 -10.6811 -10.6763 -10.6171 -10.6161 -10.5793 -10.5792 -10.5538 -10.5504 -0.5274 -0.5196 0.0221 0.0438 5.0117 5.0131 5.1408 5.2043 5.2529 5.4861 5.4900 5.5515 5.7277 5.7798 5.8169 6.0085 6.3377 6.5564 6.6552 6.7078 6.7841 6.9076 7.1957 7.2087 7.4665 7.7370 8.2457 8.3148 8.4379 8.4572 8.9025 8.9141 10.0482 10.0951 10.9035 11.0509 12.6136 12.7691 12.9775 13.0203 13.3173 13.3534 14.2112 14.2547 14.4695 14.4866 k = 0.1667 0.2887-0.0000 ( 4715 PWs) bands (ev): -29.6476 -29.6475 -29.6299 -29.6299 -11.0308 -11.0266 -10.9646 -10.9603 -10.6810 -10.6762 -10.6159 -10.6149 -10.5785 -10.5784 -10.5537 -10.5502 -0.5651 -0.5578 0.0159 0.0373 5.0133 5.0137 5.1322 5.1920 5.2531 5.4809 5.4811 5.5552 5.7281 5.7685 5.8193 6.0030 6.3361 6.5594 6.6422 6.7062 6.7771 6.8966 7.2070 7.2110 7.4633 7.7567 8.2416 8.3707 8.5224 8.5397 9.0012 9.0098 10.1163 10.1722 10.9730 11.1250 12.6016 12.7514 12.9280 12.9848 13.2765 13.3197 14.1947 14.2599 14.4692 14.5006 k = 0.1594 0.2761-0.0000 ( 4715 PWs) bands (ev): -29.6476 -29.6476 -29.6300 -29.6299 -11.0310 -11.0268 -10.9638 -10.9595 -10.6809 -10.6760 -10.6146 -10.6136 -10.5778 -10.5776 -10.5536 -10.5500 -0.6026 -0.5958 0.0096 0.0305 5.0140 5.0158 5.1242 5.1798 5.2539 5.4719 5.4755 5.5598 5.7270 5.7578 5.8217 5.9977 6.3340 6.5535 6.6361 6.7044 6.7706 6.8856 7.2125 7.2176 7.4597 7.7699 8.2499 8.4104 8.6139 8.6438 9.1016 9.1063 10.1862 10.2513 11.0428 11.1992 12.5907 12.7319 12.8835 12.9499 13.2333 13.2816 14.1763 14.2678 14.4698 14.5173 k = 0.1522 0.2636-0.0000 ( 4715 PWs) bands (ev): -29.6477 -29.6477 -29.6300 -29.6300 -11.0312 -11.0270 -10.9630 -10.9587 -10.6808 -10.6759 -10.6133 -10.6123 -10.5771 -10.5769 -10.5534 -10.5498 -0.6398 -0.6335 0.0032 0.0236 5.0151 5.0177 5.1168 5.1680 5.2552 5.4625 5.4697 5.5651 5.7238 5.7486 5.8241 5.9925 6.3312 6.5391 6.6366 6.7022 6.7647 6.8748 7.2132 7.2267 7.4563 7.7754 8.2729 8.4484 8.7173 8.7498 9.2024 9.2029 10.2577 10.3325 11.1131 11.2737 12.5806 12.7084 12.8464 12.9163 13.1875 13.2384 14.1543 14.2782 14.4682 14.4920 k = 0.1449 0.2510-0.0000 ( 4719 PWs) bands (ev): -29.6478 -29.6478 -29.6301 -29.6301 -11.0314 -11.0272 -10.9623 -10.9580 -10.6807 -10.6758 -10.6120 -10.6110 -10.5763 -10.5761 -10.5533 -10.5496 -0.6764 -0.6706 -0.0033 0.0166 5.0162 5.0190 5.1105 5.1568 5.2569 5.4531 5.4638 5.5712 5.7174 5.7420 5.8265 5.9877 6.3277 6.5190 6.6408 6.6998 6.7594 6.8641 7.2130 7.2338 7.4537 7.7736 8.3105 8.4909 8.8264 8.8572 9.2989 9.3026 10.3302 10.4156 11.1839 11.3484 12.5708 12.6795 12.8183 12.8844 13.1388 13.1893 14.1264 14.2893 14.4018 14.4580 k = 0.1377 0.2385-0.0000 ( 4723 PWs) bands (ev): -29.6479 -29.6479 -29.6301 -29.6301 -11.0315 -11.0273 -10.9615 -10.9572 -10.6805 -10.6757 -10.6107 -10.6098 -10.5755 -10.5753 -10.5532 -10.5495 -0.7123 -0.7069 -0.0099 0.0094 5.0169 5.0194 5.1053 5.1465 5.2591 5.4437 5.4577 5.5779 5.7081 5.7382 5.8289 5.9833 6.3233 6.4956 6.6464 6.6972 6.7546 6.8538 7.2120 7.2383 7.4527 7.7661 8.3612 8.5399 8.9388 8.9660 9.3936 9.4012 10.4034 10.5004 11.2556 11.4236 12.5606 12.6457 12.7988 12.8550 13.0870 13.1337 14.0902 14.2806 14.3406 14.3889 k = 0.1304 0.2259-0.0000 ( 4723 PWs) bands (ev): -29.6480 -29.6479 -29.6302 -29.6302 -11.0317 -11.0276 -10.9607 -10.9565 -10.6803 -10.6756 -10.6093 -10.6085 -10.5747 -10.5746 -10.5530 -10.5493 -0.7474 -0.7424 -0.0164 0.0022 5.0168 5.0185 5.1016 5.1374 5.2617 5.4344 5.4514 5.5850 5.6972 5.7360 5.8312 5.9795 6.3181 6.4702 6.6522 6.6946 6.7504 6.8439 7.2102 7.2398 7.4536 7.7548 8.4230 8.5958 9.0535 9.0760 9.4866 9.4974 10.4767 10.5868 11.3284 11.4994 12.5490 12.6097 12.7852 12.8287 13.0322 13.0711 14.0441 14.2114 14.3270 14.3448 k = 0.1232 0.2134-0.0000 ( 4719 PWs) bands (ev): -29.6480 -29.6480 -29.6303 -29.6302 -11.0318 -11.0278 -10.9599 -10.9558 -10.6801 -10.6755 -10.6080 -10.6072 -10.5740 -10.5738 -10.5529 -10.5492 -0.7814 -0.7768 -0.0228 -0.0049 5.0158 5.0161 5.0995 5.1297 5.2646 5.4256 5.4451 5.5922 5.6860 5.7347 5.8333 5.9764 6.3119 6.4433 6.6577 6.6921 6.7466 6.8343 7.2077 7.2384 7.4568 7.7416 8.4940 8.6586 9.1696 9.1867 9.5774 9.5905 10.5495 10.6746 11.4026 11.5759 12.5342 12.5737 12.7743 12.8060 12.9754 13.0020 13.9884 14.1315 14.2732 14.3650 k = 0.1159 0.2008-0.0000 ( 4721 PWs) bands (ev): -29.6481 -29.6481 -29.6303 -29.6303 -11.0319 -11.0280 -10.9591 -10.9551 -10.6800 -10.6755 -10.6067 -10.6060 -10.5732 -10.5731 -10.5527 -10.5490 -0.8143 -0.8101 -0.0291 -0.0120 5.0125 5.0134 5.0987 5.1235 5.2679 5.4172 5.4387 5.5987 5.6757 5.7342 5.8351 5.9741 6.3047 6.4154 6.6627 6.6898 6.7431 6.8252 7.2045 7.2345 7.4619 7.7277 8.5724 8.7279 9.2864 9.2979 9.6659 9.6798 10.6213 10.7634 11.4784 11.6532 12.5141 12.5396 12.7614 12.7873 12.9183 12.9292 13.9257 14.0543 14.2254 14.3842 k = 0.1087 0.1883-0.0000 ( 4733 PWs) bands (ev): -29.6482 -29.6482 -29.6304 -29.6304 -11.0321 -11.0283 -10.9583 -10.9544 -10.6798 -10.6755 -10.6054 -10.6048 -10.5726 -10.5725 -10.5525 -10.5489 -0.8459 -0.8420 -0.0352 -0.0189 5.0077 5.0098 5.0991 5.1189 5.2715 5.4094 5.4323 5.6029 5.6680 5.7344 5.8366 5.9728 6.2965 6.3866 6.6670 6.6878 6.7400 6.8165 7.2008 7.2286 7.4687 7.7138 8.6570 8.8033 9.4029 9.4090 9.7521 9.7650 10.6915 10.8528 11.5560 11.7316 12.4853 12.5087 12.7352 12.7721 12.8633 12.8646 13.8593 13.9818 14.1802 14.3910 k = 0.1014 0.1757-0.0000 ( 4731 PWs) bands (ev): -29.6482 -29.6482 -29.6304 -29.6304 -11.0322 -11.0286 -10.9575 -10.9538 -10.6796 -10.6754 -10.6042 -10.6036 -10.5718 -10.5717 -10.5523 -10.5488 -0.8760 -0.8725 -0.0410 -0.0257 5.0020 5.0050 5.1002 5.1157 5.2753 5.4024 5.4258 5.6026 5.6654 5.7353 5.8377 5.9724 6.2873 6.3572 6.6708 6.6862 6.7372 6.8083 7.1966 7.2214 7.4768 7.7006 8.7468 8.8840 9.5179 9.5194 9.8365 9.8460 10.7597 10.9422 11.6354 11.8108 12.4445 12.4824 12.6754 12.7585 12.8206 12.8245 13.7923 13.9144 14.1351 14.3786 k = 0.0942 0.1632-0.0000 ( 4735 PWs) bands (ev): -29.6483 -29.6483 -29.6305 -29.6305 -11.0323 -11.0288 -10.9568 -10.9532 -10.6794 -10.6754 -10.6030 -10.6025 -10.5712 -10.5711 -10.5521 -10.5487 -0.9046 -0.9014 -0.0466 -0.0322 4.9959 4.9992 5.1018 5.1137 5.2793 5.3964 5.4194 5.5966 5.6691 5.7370 5.8382 5.9730 6.2772 6.3274 6.6740 6.6850 6.7346 6.8006 7.1921 7.2135 7.4856 7.6882 8.8407 8.9695 9.6282 9.6295 9.9203 9.9231 10.8251 11.0306 11.7160 11.8904 12.3895 12.4616 12.5853 12.7409 12.7950 12.8105 13.7263 13.8518 14.0881 14.3498 k = 0.0870 0.1506-0.0000 ( 4735 PWs) bands (ev): -29.6484 -29.6484 -29.6305 -29.6305 -11.0324 -11.0291 -10.9560 -10.9526 -10.6792 -10.6755 -10.6018 -10.6014 -10.5705 -10.5704 -10.5519 -10.5487 -0.9316 -0.9287 -0.0519 -0.0384 4.9896 4.9929 5.1036 5.1126 5.2835 5.3914 5.4130 5.5863 5.6778 5.7394 5.8381 5.9747 6.2662 6.2974 6.6767 6.6841 6.7323 6.7933 7.1875 7.2053 7.4948 7.6769 8.9379 9.0589 9.7340 9.7351 9.9973 10.0056 10.8873 11.1165 11.7960 11.9689 12.3216 12.4476 12.4819 12.7198 12.7887 12.8064 13.6626 13.7932 14.0385 14.3074 k = 0.0797 0.1381-0.0000 ( 4737 PWs) bands (ev): -29.6484 -29.6484 -29.6306 -29.6306 -11.0325 -11.0294 -10.9553 -10.9521 -10.6790 -10.6755 -10.6007 -10.6004 -10.5699 -10.5699 -10.5517 -10.5486 -0.9567 -0.9541 -0.0569 -0.0443 4.9832 4.9862 5.1054 5.1120 5.2878 5.3876 5.4066 5.5737 5.6897 5.7425 5.8375 5.9772 6.2545 6.2674 6.6790 6.6837 6.7303 6.7864 7.1829 7.1972 7.5041 7.6666 9.0374 9.1512 9.8318 9.8349 10.0703 10.0951 10.9455 11.1983 11.8703 12.0419 12.2480 12.3739 12.4442 12.7025 12.7933 12.8065 13.6017 13.7379 13.9858 14.2519 k = 0.0725 0.1255-0.0000 ( 4741 PWs) bands (ev): -29.6485 -29.6485 -29.6306 -29.6306 -11.0326 -11.0297 -10.9547 -10.9517 -10.6787 -10.6755 -10.5998 -10.5995 -10.5693 -10.5693 -10.5515 -10.5486 -0.9800 -0.9777 -0.0614 -0.0499 4.9769 4.9795 5.1070 5.1118 5.2922 5.3851 5.4003 5.5599 5.7036 5.7463 5.8363 5.9804 6.2377 6.2422 6.6808 6.6835 6.7286 6.7800 7.1783 7.1894 7.5135 7.6572 9.1382 9.2453 9.9174 9.9283 10.1450 10.1907 10.9989 11.2735 11.9209 12.0901 12.1897 12.2853 12.4512 12.6911 12.8048 12.8090 13.5439 13.6847 13.9298 14.1825 k = 0.0652 0.1130-0.0000 ( 4741 PWs) bands (ev): -29.6485 -29.6485 -29.6307 -29.6307 -11.0326 -11.0300 -10.9541 -10.9513 -10.6785 -10.6755 -10.5989 -10.5987 -10.5688 -10.5687 -10.5513 -10.5486 -1.0013 -0.9993 -0.0656 -0.0552 4.9709 4.9731 5.1084 5.1118 5.2966 5.3839 5.3940 5.5455 5.7190 5.7509 5.8346 5.9840 6.2086 6.2293 6.6823 6.6837 6.7271 6.7740 7.1739 7.1823 7.5226 7.6486 9.2391 9.3398 9.9921 10.0117 10.2240 10.2925 11.0468 11.3394 11.9068 12.0517 12.1901 12.2767 12.4727 12.6852 12.8137 12.8217 13.4894 13.6327 13.8704 14.0983 k = 0.0580 0.1004-0.0000 ( 4733 PWs) bands (ev): -29.6486 -29.6486 -29.6307 -29.6307 -11.0326 -11.0302 -10.9534 -10.9510 -10.6783 -10.6756 -10.5980 -10.5978 -10.5683 -10.5682 -10.5510 -10.5485 -1.0205 -1.0187 -0.0694 -0.0600 4.9654 4.9670 5.1096 5.1119 5.3012 5.3841 5.3878 5.5311 5.7353 5.7563 5.8324 5.9876 6.1808 6.2160 6.6835 6.6840 6.7261 6.7684 7.1698 7.1758 7.5315 7.6408 9.3385 9.4328 10.0584 10.0845 10.3086 10.3986 11.0882 11.3930 11.8295 11.9455 12.2499 12.3295 12.5104 12.6842 12.8212 12.8438 13.4387 13.5809 13.8072 14.0006 k = 0.0507 0.0879-0.0000 ( 4731 PWs) bands (ev): -29.6486 -29.6486 -29.6307 -29.6307 -11.0326 -11.0305 -10.9529 -10.9507 -10.6780 -10.6757 -10.5972 -10.5971 -10.5678 -10.5678 -10.5508 -10.5485 -1.0377 -1.0361 -0.0726 -0.0644 4.9602 4.9614 5.1105 5.1120 5.3058 5.3817 5.3856 5.5167 5.7514 5.7636 5.8297 5.9904 6.1549 6.2025 6.6844 6.6845 6.7255 6.7631 7.1660 7.1701 7.5400 7.6336 9.4346 9.5219 10.1198 10.1488 10.3975 10.5060 11.1224 11.4319 11.7268 11.8235 12.3324 12.3939 12.5625 12.6876 12.8332 12.8709 13.3921 13.5285 13.7395 13.8936 k = 0.0435 0.0753-0.0000 ( 4727 PWs) bands (ev): -29.6487 -29.6486 -29.6308 -29.6308 -11.0326 -11.0307 -10.9523 -10.9504 -10.6778 -10.6758 -10.5965 -10.5964 -10.5674 -10.5674 -10.5505 -10.5486 -1.0526 -1.0513 -0.0754 -0.0683 4.9556 4.9564 5.1111 5.1120 5.3104 5.3756 5.3884 5.5025 5.7628 5.7768 5.8266 5.9914 6.1321 6.1889 6.6850 6.6852 6.7253 6.7581 7.1626 7.1652 7.5482 7.6269 9.5252 9.6042 10.1800 10.2084 10.4879 10.6116 11.1489 11.4543 11.6158 11.6983 12.4211 12.4614 12.6219 12.6957 12.8533 12.9030 13.3502 13.4751 13.6667 13.7821 k = 0.0362 0.0628-0.0000 ( 4727 PWs) bands (ev): -29.6487 -29.6487 -29.6308 -29.6308 -11.0325 -11.0310 -10.9518 -10.9502 -10.6776 -10.6759 -10.5959 -10.5959 -10.5671 -10.5671 -10.5503 -10.5486 -1.0654 -1.0643 -0.0778 -0.0718 4.9516 4.9521 5.1116 5.1121 5.3152 5.3695 5.3924 5.4888 5.7700 5.7955 5.8231 5.9887 6.1143 6.1754 6.6856 6.6857 6.7257 6.7534 7.1596 7.1612 7.5560 7.6205 9.6075 9.6766 10.2420 10.2666 10.5770 10.7120 11.1681 11.4590 11.5031 11.5752 12.5085 12.5305 12.6796 12.7102 12.8866 12.9399 13.3135 13.4208 13.5884 13.6695 k = 0.0290 0.0502-0.0000 ( 4735 PWs) bands (ev): -29.6487 -29.6487 -29.6308 -29.6308 -11.0325 -11.0312 -10.9514 -10.9501 -10.6774 -10.6760 -10.5955 -10.5955 -10.5668 -10.5668 -10.5501 -10.5487 -1.0759 -1.0750 -0.0796 -0.0748 4.9482 4.9485 5.1119 5.1121 5.3200 5.3636 5.3977 5.4755 5.7764 5.8159 5.8191 5.9807 6.1030 6.1621 6.6860 6.6862 6.7265 6.7490 7.1571 7.1579 7.5635 7.6143 9.6788 9.7360 10.3074 10.3258 10.6623 10.8026 11.1818 11.3935 11.4323 11.4719 12.5851 12.5960 12.7326 12.7374 12.9364 12.9811 13.2816 13.3660 13.5050 13.5585 k = 0.0217 0.0377-0.0000 ( 4735 PWs) bands (ev): -29.6487 -29.6487 -29.6308 -29.6308 -11.0324 -11.0315 -10.9511 -10.9501 -10.6772 -10.6762 -10.5951 -10.5951 -10.5666 -10.5666 -10.5499 -10.5488 -1.0841 -1.0834 -0.0808 -0.0773 4.9456 4.9457 5.1120 5.1122 5.3250 5.3577 5.4041 5.4629 5.7825 5.8148 5.8374 5.9668 6.0989 6.1491 6.6864 6.6865 6.7278 6.7450 7.1551 7.1554 7.5706 7.6083 9.7371 9.7806 10.3750 10.3861 10.7415 10.8764 11.1950 11.2921 11.3342 11.4341 12.6375 12.6458 12.7879 12.7902 12.9984 13.0260 13.2538 13.3115 13.4180 13.4512 k = 0.0145 0.0251-0.0000 ( 4739 PWs) bands (ev): -29.6488 -29.6488 -29.6309 -29.6309 -11.0323 -11.0317 -10.9508 -10.9501 -10.6770 -10.6763 -10.5949 -10.5949 -10.5664 -10.5664 -10.5497 -10.5490 -1.0899 -1.0895 -0.0816 -0.0792 4.9436 4.9436 5.1121 5.1122 5.3301 5.3519 5.4116 5.4510 5.7885 5.8102 5.8596 5.9485 6.1007 6.1368 6.6867 6.6867 6.7297 6.7412 7.1536 7.1537 7.5774 7.6024 9.7808 9.8100 10.4387 10.4433 10.8121 10.9229 11.2040 11.2192 11.2377 11.3970 12.6648 12.6730 12.8584 12.8594 13.0638 13.0740 13.2275 13.2586 13.3308 13.3503 k = 0.0072 0.0126-0.0000 ( 4735 PWs) bands (ev): -29.6488 -29.6488 -29.6309 -29.6309 -11.0321 -11.0318 -10.9505 -10.9502 -10.6768 -10.6764 -10.5947 -10.5947 -10.5663 -10.5663 -10.5495 -10.5492 -1.0933 -1.0931 -0.0818 -0.0806 4.9424 4.9424 5.1122 5.1122 5.3353 5.3463 5.4201 5.4399 5.7943 5.8052 5.8822 5.9274 6.1066 6.1253 6.6868 6.6868 6.7320 6.7378 7.1527 7.1527 7.5839 7.5963 9.8098 9.8243 10.4872 10.4880 10.8711 10.9344 11.1478 11.1653 11.2541 11.3519 12.6787 12.6838 12.9271 12.9272 13.1254 13.1257 13.2010 13.2109 13.2504 13.2605 k = 0.0000 0.0000 0.0000 ( 4733 PWs) bands (ev): -29.6488 -29.6488 -29.6309 -29.6309 -11.0320 -11.0320 -10.9503 -10.9503 -10.6766 -10.6766 -10.5946 -10.5946 -10.5663 -10.5663 -10.5493 -10.5493 -1.0944 -1.0944 -0.0814 -0.0814 4.9420 4.9420 5.1122 5.1122 5.3407 5.3407 5.4295 5.4295 5.7999 5.7999 5.9050 5.9050 6.1151 6.1151 6.6869 6.6869 6.7347 6.7347 7.1524 7.1524 7.5902 7.5902 9.8242 9.8242 10.5057 10.5057 10.9142 10.9142 11.1322 11.1322 11.3020 11.3020 12.6848 12.6848 12.9601 12.9601 13.1794 13.1794 13.1817 13.1817 13.1951 13.1951 k = 0.0000 0.0000 0.0000 ( 4733 PWs) bands (ev): -29.6488 -29.6488 -29.6309 -29.6309 -11.0320 -11.0320 -10.9503 -10.9503 -10.6766 -10.6766 -10.5946 -10.5946 -10.5663 -10.5663 -10.5493 -10.5493 -1.0944 -1.0944 -0.0814 -0.0814 4.9420 4.9420 5.1122 5.1122 5.3407 5.3407 5.4295 5.4295 5.7999 5.7999 5.9050 5.9050 6.1151 6.1151 6.6869 6.6869 6.7347 6.7347 7.1524 7.1524 7.5902 7.5902 9.8242 9.8242 10.5057 10.5057 10.9142 10.9142 11.1322 11.1322 11.3020 11.3020 12.6848 12.6848 12.9601 12.9601 13.1794 13.1794 13.1817 13.1817 13.1951 13.1951 k = 0.0000 0.0000 0.0141 ( 4733 PWs) bands (ev): -29.6487 -29.6487 -29.6309 -29.6309 -11.0319 -11.0319 -10.9504 -10.9504 -10.6765 -10.6765 -10.5946 -10.5946 -10.5663 -10.5663 -10.5495 -10.5495 -1.0934 -1.0934 -0.0828 -0.0828 4.9422 4.9422 5.1120 5.1120 5.3408 5.3408 5.4294 5.4294 5.7992 5.7992 5.8963 5.8963 6.1243 6.1243 6.6873 6.6873 6.7344 6.7344 7.1517 7.1517 7.5939 7.5939 9.8259 9.8259 10.5078 10.5078 10.9039 10.9039 11.1331 11.1331 11.3067 11.3067 12.6763 12.6763 12.9544 12.9544 13.1802 13.1802 13.1819 13.1819 13.2057 13.2057 k = 0.0000 0.0000 0.0283 ( 4709 PWs) bands (ev): -29.6487 -29.6487 -29.6309 -29.6309 -11.0313 -11.0313 -10.9505 -10.9505 -10.6762 -10.6762 -10.5945 -10.5945 -10.5664 -10.5664 -10.5500 -10.5500 -1.0903 -1.0903 -0.0869 -0.0869 4.9427 4.9427 5.1113 5.1113 5.3409 5.3409 5.4288 5.4288 5.7973 5.7973 5.8738 5.8738 6.1482 6.1482 6.6887 6.6887 6.7335 6.7335 7.1497 7.1497 7.6050 7.6050 9.8310 9.8310 10.5141 10.5141 10.8748 10.8748 11.1357 11.1357 11.3191 11.3191 12.6527 12.6527 12.9376 12.9376 13.1829 13.1829 13.1830 13.1830 13.2354 13.2354 k = 0.0000 0.0000 0.0424 ( 4703 PWs) bands (ev): -29.6486 -29.6486 -29.6310 -29.6310 -11.0306 -11.0306 -10.9507 -10.9507 -10.6757 -10.6757 -10.5943 -10.5943 -10.5665 -10.5665 -10.5511 -10.5511 -1.0851 -1.0851 -0.0937 -0.0937 4.9436 4.9436 5.1101 5.1101 5.3411 5.3411 5.4280 5.4280 5.7942 5.7942 5.8442 5.8442 6.1802 6.1802 6.6910 6.6910 6.7319 6.7319 7.1463 7.1463 7.6235 7.6235 9.8395 9.8395 10.5246 10.5246 10.8311 10.8311 11.1401 11.1401 11.3349 11.3349 12.6182 12.6182 12.9097 12.9097 13.1855 13.1855 13.1873 13.1873 13.2800 13.2800 k = 0.0000 0.0000 0.0566 ( 4685 PWs) bands (ev): -29.6484 -29.6484 -29.6312 -29.6312 -11.0295 -11.0295 -10.9510 -10.9510 -10.6750 -10.6750 -10.5941 -10.5941 -10.5667 -10.5667 -10.5524 -10.5524 -1.0779 -1.0779 -0.1032 -0.1032 4.9448 4.9448 5.1086 5.1086 5.3413 5.3413 5.4267 5.4267 5.7898 5.7898 5.8118 5.8118 6.2158 6.2158 6.6943 6.6943 6.7299 6.7299 7.1416 7.1416 7.6495 7.6495 9.8513 9.8513 10.5392 10.5392 10.7770 10.7770 11.1463 11.1463 11.3498 11.3498 12.5772 12.5772 12.8715 12.8715 13.1902 13.1902 13.1935 13.1935 13.3351 13.3351 k = 0.0000 0.0000 0.0707 ( 4685 PWs) bands (ev): -29.6482 -29.6482 -29.6313 -29.6313 -11.0283 -11.0283 -10.9515 -10.9515 -10.6742 -10.6742 -10.5938 -10.5938 -10.5670 -10.5670 -10.5542 -10.5542 -1.0688 -1.0688 -0.1153 -0.1153 4.9464 4.9464 5.1066 5.1066 5.3417 5.3417 5.4251 5.4251 5.7791 5.7791 5.7842 5.7842 6.2523 6.2523 6.6984 6.6984 6.7272 6.7272 7.1356 7.1356 7.6829 7.6829 9.8664 9.8664 10.5579 10.5579 10.7155 10.7155 11.1542 11.1542 11.3607 11.3607 12.5326 12.5326 12.8239 12.8239 13.1974 13.1974 13.2014 13.2014 13.3971 13.3971 k = 0.0000 0.0000 0.0849 ( 4691 PWs) bands (ev): -29.6480 -29.6480 -29.6316 -29.6316 -11.0267 -11.0267 -10.9520 -10.9520 -10.6732 -10.6732 -10.5935 -10.5935 -10.5674 -10.5674 -10.5564 -10.5564 -1.0577 -1.0577 -0.1299 -0.1299 4.9483 4.9483 5.1041 5.1041 5.3420 5.3420 5.4230 5.4230 5.7474 5.7474 5.7775 5.7775 6.2884 6.2884 6.7034 6.7034 6.7240 6.7240 7.1284 7.1284 7.7238 7.7238 9.8848 9.8848 10.5806 10.5806 10.6487 10.6487 11.1641 11.1641 11.3657 11.3657 12.4868 12.4868 12.7685 12.7685 13.2073 13.2073 13.2111 13.2111 13.4632 13.4632 k = 0.0000 0.0000 0.0990 ( 4703 PWs) bands (ev): -29.6477 -29.6477 -29.6319 -29.6319 -11.0250 -11.0250 -10.9527 -10.9527 -10.6721 -10.6721 -10.5930 -10.5930 -10.5679 -10.5679 -10.5589 -10.5589 -1.0447 -1.0447 -0.1469 -0.1469 4.9505 4.9505 5.1013 5.1013 5.3425 5.3425 5.4206 5.4206 5.7175 5.7175 5.7697 5.7697 6.3230 6.3230 6.7093 6.7093 6.7203 6.7203 7.1201 7.1201 7.7720 7.7720 9.9064 9.9064 10.5779 10.5779 10.6072 10.6072 11.1759 11.1759 11.3634 11.3634 12.4409 12.4409 12.7066 12.7066 13.2197 13.2197 13.2224 13.2224 13.5306 13.5306 k = 0.0000 0.0000 0.1132 ( 4697 PWs) bands (ev): -29.6474 -29.6474 -29.6321 -29.6321 -11.0230 -11.0230 -10.9535 -10.9535 -10.6707 -10.6707 -10.5926 -10.5926 -10.5684 -10.5684 -10.5617 -10.5617 -1.0297 -1.0297 -0.1662 -0.1662 4.9531 4.9531 5.0981 5.0981 5.3430 5.3430 5.4176 5.4176 5.6900 5.6900 5.7609 5.7609 6.3557 6.3557 6.7160 6.7160 6.7162 6.7162 7.1107 7.1107 7.8273 7.8273 9.9311 9.9311 10.5042 10.5042 10.6376 10.6376 11.1897 11.1897 11.3533 11.3533 12.3957 12.3957 12.6395 12.6395 13.2348 13.2348 13.2355 13.2355 13.5962 13.5962 k = 0.0000 0.0000 0.1273 ( 4691 PWs) bands (ev): -29.6471 -29.6471 -29.6325 -29.6325 -11.0208 -11.0208 -10.9543 -10.9543 -10.6691 -10.6691 -10.5920 -10.5920 -10.5689 -10.5689 -10.5648 -10.5648 -1.0129 -1.0129 -0.1877 -0.1877 4.9559 4.9559 5.0946 5.0946 5.3436 5.3436 5.4143 5.4143 5.6652 5.6652 5.7512 5.7512 6.3862 6.3862 6.7116 6.7116 6.7235 6.7235 7.1003 7.1003 7.8895 7.8895 9.9589 9.9589 10.4281 10.4281 10.6718 10.6718 11.2055 11.2055 11.3352 11.3352 12.3514 12.3514 12.5683 12.5683 13.2503 13.2503 13.2522 13.2522 13.6570 13.6570 k = 0.0000 0.0000 0.1415 ( 4691 PWs) bands (ev): -29.6467 -29.6467 -29.6329 -29.6329 -11.0184 -11.0184 -10.9553 -10.9553 -10.6673 -10.6673 -10.5914 -10.5914 -10.5695 -10.5695 -10.5682 -10.5682 -0.9942 -0.9942 -0.2112 -0.2112 4.9591 4.9591 5.0907 5.0907 5.3443 5.3443 5.4104 5.4104 5.6433 5.6433 5.7407 5.7407 6.4143 6.4143 6.7066 6.7066 6.7319 6.7319 7.0890 7.0890 7.9581 7.9581 9.9897 9.9897 10.3499 10.3499 10.7096 10.7096 11.2234 11.2234 11.3094 11.3094 12.3079 12.3079 12.4939 12.4939 13.2668 13.2668 13.2721 13.2721 13.7094 13.7094 k = 0.0000 0.0000 0.1556 ( 4685 PWs) bands (ev): -29.6463 -29.6463 -29.6333 -29.6333 -11.0158 -11.0158 -10.9564 -10.9564 -10.6653 -10.6653 -10.5908 -10.5908 -10.5719 -10.5719 -10.5701 -10.5701 -0.9739 -0.9739 -0.2365 -0.2365 4.9626 4.9626 5.0864 5.0864 5.3450 5.3450 5.4062 5.4062 5.6244 5.6244 5.7295 5.7295 6.4399 6.4399 6.7013 6.7013 6.7410 6.7410 7.0768 7.0768 8.0328 8.0328 10.0233 10.0233 10.2701 10.2701 10.7509 10.7509 11.2436 11.2436 11.2763 11.2763 12.2647 12.2647 12.4171 12.4171 13.2850 13.2850 13.2942 13.2942 13.7508 13.7508 k = 0.0000 0.0000 0.1698 ( 4697 PWs) bands (ev): -29.6459 -29.6459 -29.6337 -29.6337 -11.0131 -11.0131 -10.9577 -10.9577 -10.6631 -10.6631 -10.5901 -10.5901 -10.5759 -10.5759 -10.5708 -10.5708 -0.9519 -0.9519 -0.2637 -0.2637 4.9663 4.9663 5.0819 5.0819 5.3458 5.3458 5.4016 5.4016 5.6086 5.6086 5.7176 5.7176 6.4632 6.4632 6.6956 6.6956 6.7509 6.7509 7.0639 7.0639 8.1129 8.1129 10.0598 10.0598 10.1886 10.1886 10.7955 10.7955 11.2369 11.2369 11.2661 11.2661 12.2214 12.2214 12.3386 12.3386 13.3048 13.3048 13.3186 13.3186 13.7797 13.7797 k = 0.0000 0.0000 0.1839 ( 4703 PWs) bands (ev): -29.6455 -29.6455 -29.6341 -29.6341 -11.0102 -11.0102 -10.9591 -10.9591 -10.6607 -10.6607 -10.5894 -10.5894 -10.5801 -10.5801 -10.5715 -10.5715 -0.9283 -0.9283 -0.2923 -0.2923 4.9703 4.9703 5.0772 5.0772 5.3466 5.3466 5.3968 5.3968 5.5957 5.5957 5.7053 5.7053 6.4843 6.4843 6.6896 6.6896 6.7614 6.7614 7.0503 7.0503 8.1979 8.1979 10.0990 10.0990 10.1055 10.1055 10.8434 10.8434 11.1919 11.1919 11.2910 11.2910 12.1775 12.1775 12.2589 12.2589 13.3261 13.3261 13.3452 13.3452 13.7967 13.7967 k = 0.0000 0.0000 0.1981 ( 4703 PWs) bands (ev): -29.6450 -29.6450 -29.6346 -29.6346 -11.0073 -11.0073 -10.9606 -10.9606 -10.6580 -10.6580 -10.5887 -10.5887 -10.5844 -10.5844 -10.5723 -10.5723 -0.9031 -0.9031 -0.3223 -0.3223 4.9746 4.9746 5.0722 5.0722 5.3475 5.3475 5.3919 5.3919 5.5856 5.5856 5.6927 5.6927 6.5033 6.5033 6.6833 6.6833 6.7727 6.7727 7.0362 7.0362 8.2872 8.2872 10.0208 10.0208 10.1408 10.1408 10.8944 10.8944 11.1423 11.1423 11.3184 11.3184 12.1324 12.1324 12.1785 12.1785 13.3491 13.3491 13.3740 13.3740 13.8030 13.8030 k = 0.0000 0.0000 0.2122 ( 4715 PWs) bands (ev): -29.6445 -29.6445 -29.6352 -29.6352 -11.0044 -11.0044 -10.9623 -10.9623 -10.6552 -10.6552 -10.5888 -10.5888 -10.5879 -10.5879 -10.5732 -10.5732 -0.8766 -0.8766 -0.3536 -0.3536 4.9791 4.9791 5.0670 5.0670 5.3485 5.3485 5.3870 5.3870 5.5781 5.5781 5.6799 5.6799 6.5206 6.5206 6.6768 6.6768 6.7846 6.7846 7.0216 7.0216 8.3800 8.3800 9.9345 9.9345 10.1850 10.1850 10.9484 10.9484 11.0890 11.0890 11.3482 11.3482 12.0859 12.0859 12.0976 12.0976 13.3735 13.3735 13.4048 13.4048 13.8003 13.8003 k = 0.0000 0.0000 0.2264 ( 4709 PWs) bands (ev): -29.6439 -29.6439 -29.6357 -29.6357 -11.0013 -11.0013 -10.9640 -10.9640 -10.6522 -10.6522 -10.5933 -10.5933 -10.5869 -10.5869 -10.5741 -10.5741 -0.8486 -0.8486 -0.3857 -0.3857 4.9839 4.9839 5.0616 5.0616 5.3495 5.3495 5.3823 5.3823 5.5730 5.5730 5.6671 5.6671 6.5362 6.5362 6.6701 6.6701 6.7970 6.7970 7.0066 7.0066 8.4759 8.4759 9.8465 9.8465 10.2316 10.2316 11.0053 11.0053 11.0329 11.0329 11.3807 11.3807 12.0168 12.0168 12.0378 12.0378 13.3993 13.3993 13.4377 13.4377 13.7903 13.7903 k = 0.0000 0.0000 0.2405 ( 4721 PWs) bands (ev): -29.6434 -29.6434 -29.6363 -29.6363 -10.9983 -10.9983 -10.9659 -10.9659 -10.6490 -10.6490 -10.5979 -10.5979 -10.5861 -10.5861 -10.5750 -10.5750 -0.8195 -0.8195 -0.4188 -0.4188 4.9888 4.9888 5.0561 5.0561 5.3506 5.3506 5.3778 5.3778 5.5702 5.5702 5.6544 5.6544 6.5504 6.5504 6.6631 6.6631 6.8101 6.8101 6.9913 6.9913 8.5741 8.5741 9.7568 9.7568 10.2804 10.2804 10.9746 10.9746 11.0648 11.0648 11.4159 11.4159 11.9362 11.9362 11.9881 11.9881 13.4265 13.4265 13.4727 13.4727 13.7743 13.7743 k = 0.0000 0.0000 0.2547 ( 4709 PWs) bands (ev): -29.6428 -29.6428 -29.6368 -29.6368 -10.9952 -10.9952 -10.9680 -10.9680 -10.6455 -10.6455 -10.6025 -10.6025 -10.5852 -10.5852 -10.5758 -10.5758 -0.7892 -0.7892 -0.4525 -0.4525 4.9939 4.9939 5.0505 5.0505 5.3517 5.3517 5.3738 5.3738 5.5694 5.5694 5.6421 5.6421 6.5634 6.5634 6.6559 6.6559 6.8236 6.8236 6.9758 6.9758 8.6741 8.6741 9.6652 9.6652 10.3313 10.3313 10.9148 10.9148 11.1269 11.1269 11.4536 11.4536 11.8561 11.8561 11.9371 11.9371 13.4550 13.4550 13.5098 13.5098 13.7536 13.7536 k = 0.0000 0.0000 0.2688 ( 4715 PWs) bands (ev): -29.6422 -29.6422 -29.6374 -29.6374 -10.9921 -10.9921 -10.9702 -10.9702 -10.6419 -10.6419 -10.6072 -10.6072 -10.5843 -10.5843 -10.5768 -10.5768 -0.7579 -0.7579 -0.4867 -0.4867 4.9992 4.9992 5.0448 5.0448 5.3530 5.3530 5.3702 5.3702 5.5705 5.5705 5.6302 5.6302 6.5754 6.5754 6.6484 6.6484 6.8376 6.8376 6.9601 6.9601 8.7752 8.7752 9.5718 9.5718 10.3842 10.3842 10.8542 10.8542 11.1914 11.1914 11.4939 11.4939 11.7767 11.7767 11.8853 11.8853 13.4845 13.4845 13.5487 13.5487 13.7291 13.7291 k = 0.0000 0.0000 0.2829 ( 4715 PWs) bands (ev): -29.6416 -29.6416 -29.6380 -29.6380 -10.9891 -10.9891 -10.9725 -10.9725 -10.6381 -10.6381 -10.6118 -10.6118 -10.5833 -10.5833 -10.5777 -10.5777 -0.7257 -0.7257 -0.5212 -0.5212 5.0046 5.0046 5.0390 5.0390 5.3544 5.3544 5.3669 5.3669 5.5732 5.5732 5.6190 5.6190 6.5865 6.5865 6.6407 6.6407 6.8520 6.8520 6.9443 6.9443 8.8770 8.8770 9.4766 9.4766 10.4388 10.4388 10.7931 10.7931 11.2582 11.2582 11.5368 11.5368 11.6983 11.6983 11.8330 11.8330 13.5151 13.5151 13.5896 13.5896 13.7017 13.7017 k = 0.0000 0.0000 0.2971 ( 4715 PWs) bands (ev): -29.6410 -29.6410 -29.6386 -29.6386 -10.9861 -10.9861 -10.9750 -10.9750 -10.6340 -10.6340 -10.6164 -10.6164 -10.5824 -10.5824 -10.5787 -10.5787 -0.6927 -0.6927 -0.5559 -0.5559 5.0102 5.0102 5.0332 5.0332 5.3559 5.3559 5.3641 5.3641 5.5776 5.5776 5.6086 5.6086 6.5968 6.5968 6.6327 6.6327 6.8668 6.8668 6.9286 6.9286 8.9789 8.9789 9.3797 9.3797 10.4951 10.4951 10.7321 10.7321 11.3272 11.3272 11.5819 11.5819 11.6211 11.6211 11.7807 11.7807 13.5463 13.5463 13.6322 13.6322 13.6723 13.6723 k = 0.0000 0.0000 0.3112 ( 4745 PWs) bands (ev): -29.6404 -29.6404 -29.6392 -29.6392 -10.9832 -10.9832 -10.9777 -10.9777 -10.6299 -10.6299 -10.6211 -10.6211 -10.5816 -10.5816 -10.5796 -10.5796 -0.6592 -0.6592 -0.5906 -0.5906 5.0158 5.0158 5.0274 5.0274 5.3575 5.3575 5.3616 5.3616 5.5835 5.5835 5.5991 5.5991 6.6065 6.6065 6.6244 6.6244 6.8819 6.8819 6.9129 6.9129 9.0805 9.0805 9.2812 9.2812 10.5527 10.5527 10.6715 10.6715 11.3980 11.3980 11.5452 11.5452 11.6292 11.6292 11.7290 11.7290 13.5780 13.5780 13.6414 13.6414 13.6767 13.6767 k = 0.0000 0.0000 0.3254 ( 4746 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9804 -10.9804 -10.9804 -10.9804 -10.6255 -10.6255 -10.6255 -10.6255 -10.5806 -10.5806 -10.5806 -10.5806 -0.6251 -0.6251 -0.6251 -0.6251 5.0216 5.0216 5.0216 5.0216 5.3594 5.3594 5.3594 5.3594 5.5907 5.5907 5.5907 5.5907 6.6157 6.6157 6.6157 6.6157 6.8973 6.8973 6.8973 6.8973 9.1814 9.1814 9.1814 9.1814 10.6116 10.6116 10.6116 10.6116 11.4708 11.4708 11.4708 11.4708 11.6783 11.6783 11.6783 11.6783 13.6099 13.6099 13.6099 13.6099 13.7228 13.7228 k = 0.0000 0.0000 0.3254 ( 4746 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9804 -10.9804 -10.9804 -10.9804 -10.6255 -10.6255 -10.6255 -10.6255 -10.5806 -10.5806 -10.5806 -10.5806 -0.6251 -0.6251 -0.6251 -0.6251 5.0216 5.0216 5.0216 5.0216 5.3594 5.3594 5.3594 5.3594 5.5907 5.5907 5.5907 5.5907 6.6157 6.6157 6.6157 6.6157 6.8973 6.8973 6.8973 6.8973 9.1814 9.1814 9.1814 9.1814 10.6116 10.6116 10.6116 10.6116 11.4708 11.4708 11.4708 11.4708 11.6783 11.6783 11.6783 11.6783 13.6099 13.6099 13.6099 13.6099 13.7228 13.7228 k = 0.0125 0.0072 0.3254 ( 4742 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9806 -10.9806 -10.9802 -10.9802 -10.6257 -10.6257 -10.6254 -10.6254 -10.5806 -10.5806 -10.5806 -10.5806 -0.6244 -0.6244 -0.6241 -0.6241 5.0216 5.0216 5.0216 5.0216 5.3582 5.3582 5.3596 5.3596 5.5888 5.5888 5.5938 5.5938 6.6098 6.6098 6.6216 6.6216 6.8977 6.8977 6.8977 6.8977 9.1759 9.1759 9.1831 9.1831 10.6009 10.6009 10.6101 10.6101 11.4393 11.4393 11.4409 11.4409 11.7057 11.7057 11.7193 11.7193 13.6063 13.6063 13.6141 13.6141 13.7224 13.7225 k = 0.0250 0.0144 0.3254 ( 4736 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9808 -10.9808 -10.9801 -10.9801 -10.6259 -10.6259 -10.6252 -10.6252 -10.5807 -10.5807 -10.5807 -10.5807 -0.6220 -0.6220 -0.6214 -0.6214 5.0215 5.0215 5.0216 5.0216 5.3558 5.3558 5.3587 5.3587 5.5883 5.5883 5.5980 5.5980 6.6039 6.6039 6.6274 6.6274 6.8990 6.8990 6.8991 6.8991 9.1666 9.1666 9.1809 9.1809 10.5785 10.5785 10.5964 10.5964 11.3744 11.3744 11.3807 11.3807 11.7737 11.7737 11.7972 11.7972 13.6027 13.6027 13.6190 13.6190 13.7217 13.7221 k = 0.0375 0.0217 0.3254 ( 4736 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9810 -10.9810 -10.9800 -10.9800 -10.6261 -10.6261 -10.6250 -10.6250 -10.5809 -10.5809 -10.5809 -10.5809 -0.6180 -0.6180 -0.6171 -0.6171 5.0212 5.0212 5.0216 5.0216 5.3523 5.3523 5.3571 5.3571 5.5891 5.5891 5.6033 5.6033 6.5981 6.5981 6.6330 6.6330 6.9009 6.9009 6.9014 6.9014 9.1534 9.1534 9.1744 9.1744 10.5454 10.5454 10.5714 10.5714 11.3027 11.3027 11.3139 11.3139 11.8547 11.8547 11.8871 11.8871 13.5978 13.5978 13.6238 13.6238 13.7203 13.7204 k = 0.0500 0.0289 0.3254 ( 4736 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9812 -10.9812 -10.9799 -10.9799 -10.6264 -10.6264 -10.6249 -10.6249 -10.5812 -10.5812 -10.5812 -10.5812 -0.6124 -0.6124 -0.6112 -0.6112 5.0208 5.0208 5.0216 5.0216 5.3477 5.3477 5.3550 5.3550 5.5912 5.5912 5.6095 5.6095 6.5926 6.5926 6.6383 6.6383 6.9036 6.9036 6.9048 6.9048 9.1360 9.1360 9.1634 9.1634 10.5035 10.5035 10.5366 10.5366 11.2318 11.2318 11.2471 11.2471 11.9400 11.9400 11.9809 11.9809 13.5908 13.5908 13.6269 13.6269 13.7223 13.7224 k = 0.0625 0.0361 0.3254 ( 4732 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9815 -10.9815 -10.9798 -10.9798 -10.6266 -10.6266 -10.6248 -10.6248 -10.5815 -10.5815 -10.5815 -10.5815 -0.6051 -0.6051 -0.6037 -0.6037 5.0201 5.0201 5.0215 5.0215 5.3423 5.3423 5.3526 5.3526 5.5944 5.5944 5.6163 5.6163 6.5874 6.5874 6.6433 6.6433 6.9069 6.9069 6.9091 6.9091 9.1140 9.1140 9.1472 9.1472 10.4547 10.4547 10.4942 10.4942 11.1637 11.1637 11.1819 11.1819 12.0260 12.0260 12.0753 12.0753 13.5814 13.5814 13.6272 13.6272 13.7295 13.7296 k = 0.0750 0.0433 0.3254 ( 4736 PWs) bands (ev): -29.6397 -29.6397 -29.6397 -29.6397 -10.9818 -10.9818 -10.9798 -10.9798 -10.6269 -10.6269 -10.6247 -10.6247 -10.5820 -10.5820 -10.5819 -10.5819 -0.5963 -0.5963 -0.5946 -0.5946 5.0189 5.0189 5.0214 5.0214 5.3362 5.3362 5.3501 5.3501 5.5986 5.5986 5.6237 5.6237 6.5825 6.5825 6.6479 6.6479 6.9107 6.9107 6.9144 6.9144 9.0870 9.0870 9.1252 9.1252 10.4015 10.4015 10.4468 10.4468 11.0982 11.0982 11.1183 11.1183 12.1106 12.1106 12.1678 12.1678 13.5705 13.5705 13.6248 13.6248 13.7427 13.7428 k = 0.0875 0.0505 0.3254 ( 4732 PWs) bands (ev): -29.6397 -29.6397 -29.6397 -29.6397 -10.9821 -10.9821 -10.9798 -10.9798 -10.6271 -10.6271 -10.6246 -10.6246 -10.5825 -10.5825 -10.5824 -10.5824 -0.5859 -0.5859 -0.5840 -0.5840 5.0173 5.0173 5.0212 5.0212 5.3298 5.3298 5.3479 5.3479 5.6037 5.6037 5.6315 5.6315 6.5781 6.5781 6.6522 6.6522 6.9149 6.9149 6.9206 6.9206 9.0545 9.0545 9.0968 9.0968 10.3459 10.3459 10.3968 10.3968 11.0350 11.0350 11.0560 11.0560 12.1917 12.1917 12.2566 12.2566 13.5596 13.5596 13.6219 13.6219 13.7614 13.7614 k = 0.1000 0.0577 0.3254 ( 4728 PWs) bands (ev): -29.6397 -29.6397 -29.6396 -29.6396 -10.9824 -10.9824 -10.9798 -10.9798 -10.6274 -10.6274 -10.6245 -10.6245 -10.5830 -10.5830 -10.5829 -10.5829 -0.5741 -0.5741 -0.5719 -0.5719 5.0151 5.0151 5.0208 5.0208 5.3232 5.3232 5.3461 5.3461 5.6095 5.6095 5.6395 5.6395 6.5741 6.5741 6.6561 6.6561 6.9196 6.9196 6.9278 6.9278 9.0160 9.0160 9.0615 9.0615 10.2903 10.2903 10.3467 10.3467 10.9733 10.9733 10.9947 10.9947 12.2679 12.2679 12.3398 12.3398 13.5505 13.5505 13.6210 13.6210 13.7843 13.7844 k = 0.1125 0.0650 0.3254 ( 4724 PWs) bands (ev): -29.6396 -29.6396 -29.6396 -29.6396 -10.9827 -10.9827 -10.9798 -10.9798 -10.6277 -10.6277 -10.6244 -10.6244 -10.5836 -10.5836 -10.5835 -10.5835 -0.5608 -0.5608 -0.5583 -0.5583 5.0123 5.0123 5.0200 5.0200 5.3168 5.3168 5.3449 5.3449 5.6158 5.6158 5.6478 5.6478 6.5706 6.5706 6.6596 6.6596 6.9246 6.9246 6.9357 6.9357 8.9713 8.9713 9.0189 9.0189 10.2362 10.2362 10.2986 10.2986 10.9125 10.9125 10.9340 10.9340 12.3374 12.3374 12.4155 12.4155 13.5449 13.5449 13.6243 13.6243 13.8106 13.8107 k = 0.1250 0.0722 0.3254 ( 4720 PWs) bands (ev): -29.6396 -29.6396 -29.6396 -29.6396 -10.9830 -10.9830 -10.9799 -10.9799 -10.6279 -10.6279 -10.6244 -10.6244 -10.5843 -10.5843 -10.5841 -10.5841 -0.5461 -0.5461 -0.5434 -0.5434 5.0087 5.0087 5.0189 5.0189 5.3107 5.3107 5.3445 5.3445 5.6227 5.6227 5.6561 5.6561 6.5676 6.5676 6.6628 6.6628 6.9300 6.9300 6.9445 6.9445 8.9200 8.9200 8.9688 8.9688 10.1850 10.1850 10.2539 10.2539 10.8525 10.8525 10.8737 10.8737 12.3990 12.3990 12.4820 12.4820 13.5442 13.5442 13.6339 13.6339 13.8395 13.8404 k = 0.1375 0.0794 0.3254 ( 4708 PWs) bands (ev): -29.6395 -29.6395 -29.6395 -29.6395 -10.9833 -10.9833 -10.9800 -10.9800 -10.6282 -10.6282 -10.6244 -10.6244 -10.5850 -10.5850 -10.5847 -10.5847 -0.5301 -0.5301 -0.5271 -0.5271 5.0045 5.0045 5.0174 5.0174 5.3052 5.3052 5.3450 5.3450 5.6299 5.6299 5.6644 5.6644 6.5652 6.5652 6.6656 6.6656 6.9355 6.9355 6.9538 6.9538 8.8623 8.8623 8.9112 8.9112 10.1375 10.1375 10.2134 10.2134 10.7929 10.7929 10.8140 10.8140 12.4512 12.4512 12.5379 12.5379 13.5494 13.5494 13.6512 13.6512 13.8704 13.8704 k = 0.1500 0.0866 0.3254 ( 4702 PWs) bands (ev): -29.6395 -29.6395 -29.6394 -29.6394 -10.9837 -10.9837 -10.9801 -10.9801 -10.6285 -10.6285 -10.6244 -10.6244 -10.5857 -10.5857 -10.5854 -10.5854 -0.5128 -0.5128 -0.5097 -0.5097 4.9995 4.9995 5.0153 5.0153 5.3005 5.3005 5.3465 5.3465 5.6373 5.6373 5.6727 5.6727 6.5634 6.5634 6.6681 6.6681 6.9413 6.9413 6.9638 6.9638 8.7984 8.7984 8.8468 8.8468 10.0940 10.0940 10.1774 10.1774 10.7340 10.7340 10.7549 10.7549 12.4935 12.4935 12.5824 12.5824 13.5610 13.5610 13.6765 13.6765 13.9028 13.9032 k = 0.1625 0.0938 0.3254 ( 4698 PWs) bands (ev): -29.6394 -29.6394 -29.6394 -29.6394 -10.9840 -10.9840 -10.9803 -10.9803 -10.6288 -10.6288 -10.6244 -10.6244 -10.5865 -10.5865 -10.5862 -10.5862 -0.4944 -0.4944 -0.4911 -0.4911 4.9939 4.9939 5.0126 5.0126 5.2967 5.2967 5.3489 5.3489 5.6450 5.6450 5.6809 5.6809 6.5621 6.5621 6.6704 6.6704 6.9472 6.9472 6.9742 6.9742 8.7289 8.7289 8.7762 8.7762 10.0545 10.0545 10.1456 10.1456 10.6761 10.6761 10.6968 10.6968 12.5257 12.5257 12.6154 12.6154 13.5789 13.5789 13.7095 13.7095 13.9365 13.9382 k = 0.1750 0.1010 0.3254 ( 4696 PWs) bands (ev): -29.6393 -29.6393 -29.6393 -29.6393 -10.9844 -10.9844 -10.9804 -10.9804 -10.6291 -10.6291 -10.6244 -10.6244 -10.5874 -10.5874 -10.5869 -10.5869 -0.4750 -0.4750 -0.4714 -0.4714 4.9877 4.9877 5.0094 5.0094 5.2940 5.2940 5.3523 5.3523 5.6528 5.6528 5.6889 5.6889 6.5614 6.5614 6.6723 6.6723 6.9532 6.9532 6.9849 6.9849 8.6545 8.6545 8.7003 8.7003 10.0185 10.0185 10.1172 10.1172 10.6198 10.6198 10.6402 10.6402 12.5483 12.5483 12.6378 12.6378 13.6021 13.6021 13.7486 13.7486 13.9708 13.9709 k = 0.1875 0.1083 0.3254 ( 4698 PWs) bands (ev): -29.6393 -29.6393 -29.6393 -29.6393 -10.9847 -10.9847 -10.9807 -10.9807 -10.6294 -10.6294 -10.6245 -10.6245 -10.5882 -10.5882 -10.5877 -10.5877 -0.4546 -0.4546 -0.4508 -0.4508 4.9810 4.9810 5.0055 5.0055 5.2924 5.2924 5.3566 5.3566 5.6607 5.6607 5.6967 5.6967 6.5611 6.5611 6.6740 6.6740 6.9593 6.9593 6.9959 6.9959 8.5761 8.5761 8.6201 8.6201 9.9852 9.9852 10.0910 10.0910 10.5656 10.5656 10.5857 10.5857 12.5624 12.5624 12.6509 12.6509 13.6290 13.6290 13.7914 13.7914 14.0055 14.0057 k = 0.2000 0.1155 0.3254 ( 4692 PWs) bands (ev): -29.6392 -29.6392 -29.6392 -29.6392 -10.9851 -10.9851 -10.9809 -10.9809 -10.6297 -10.6297 -10.6246 -10.6246 -10.5891 -10.5891 -10.5885 -10.5885 -0.4333 -0.4333 -0.4294 -0.4294 4.9739 4.9739 5.0011 5.0011 5.2919 5.2919 5.3618 5.3618 5.6685 5.6685 5.7043 5.7043 6.5614 6.5614 6.6754 6.6754 6.9654 6.9654 7.0071 7.0071 8.4945 8.4945 8.5367 8.5367 9.9537 9.9537 10.0658 10.0658 10.5147 10.5147 10.5338 10.5338 12.5695 12.5695 12.6565 12.6565 13.6578 13.6578 13.8349 13.8349 14.0402 14.0403 k = 0.2125 0.1227 0.3254 ( 4700 PWs) bands (ev): -29.6392 -29.6392 -29.6391 -29.6391 -10.9855 -10.9855 -10.9811 -10.9811 -10.6301 -10.6301 -10.6247 -10.6247 -10.5900 -10.5900 -10.5893 -10.5893 -0.4113 -0.4113 -0.4072 -0.4072 4.9666 4.9666 4.9963 4.9963 5.2925 5.2925 5.3676 5.3676 5.6764 5.6764 5.7116 5.7116 6.5622 6.5622 6.6766 6.6766 6.9716 6.9716 7.0183 7.0183 8.4106 8.4106 8.4512 8.4512 9.9230 9.9230 10.0399 10.0399 10.4680 10.4680 10.4854 10.4854 12.5712 12.5712 12.6564 12.6564 13.6863 13.6863 13.8757 13.8757 14.0744 14.0744 k = 0.2250 0.1299 0.3254 ( 4702 PWs) bands (ev): -29.6391 -29.6391 -29.6391 -29.6391 -10.9858 -10.9858 -10.9814 -10.9814 -10.6304 -10.6304 -10.6249 -10.6249 -10.5909 -10.5909 -10.5902 -10.5902 -0.3886 -0.3886 -0.3844 -0.3844 4.9592 4.9592 4.9911 4.9911 5.2942 5.2942 5.3741 5.3741 5.6841 5.6841 5.7185 5.7185 6.5634 6.5634 6.6775 6.6775 6.9777 6.9777 7.0296 7.0296 8.3255 8.3255 8.3644 8.3644 9.8919 9.8919 10.0118 10.0118 10.4267 10.4267 10.4411 10.4411 12.5691 12.5691 12.6522 12.6522 13.7127 13.7127 13.9106 13.9106 14.1082 14.1084 k = 0.2375 0.1371 0.3254 ( 4702 PWs) bands (ev): -29.6390 -29.6390 -29.6390 -29.6390 -10.9862 -10.9862 -10.9817 -10.9817 -10.6307 -10.6307 -10.6251 -10.6251 -10.5918 -10.5918 -10.5910 -10.5910 -0.3654 -0.3654 -0.3611 -0.3611 4.9518 4.9518 4.9856 4.9856 5.2968 5.2968 5.3811 5.3811 5.6917 5.6917 5.7250 5.7250 6.5651 6.5651 6.6782 6.6782 6.9838 6.9838 7.0407 7.0407 8.2398 8.2398 8.2773 8.2773 9.8597 9.8597 9.9803 9.9803 10.3915 10.3915 10.4016 10.4016 12.5647 12.5647 12.6456 12.6456 13.7352 13.7352 13.9368 13.9368 14.1417 14.1417 k = 0.2500 0.1443 0.3254 ( 4710 PWs) bands (ev): -29.6390 -29.6390 -29.6389 -29.6389 -10.9865 -10.9865 -10.9821 -10.9821 -10.6311 -10.6311 -10.6253 -10.6253 -10.5927 -10.5927 -10.5918 -10.5918 -0.3418 -0.3418 -0.3375 -0.3375 4.9445 4.9445 4.9800 4.9800 5.3004 5.3004 5.3886 5.3886 5.6990 5.6990 5.7310 5.7310 6.5671 6.5671 6.6785 6.6785 6.9898 6.9898 7.0516 7.0516 8.1545 8.1545 8.1906 8.1906 9.8256 9.8256 9.9447 9.9447 10.3631 10.3631 10.3673 10.3673 12.5592 12.5592 12.6377 12.6377 13.7525 13.7525 13.9523 13.9523 14.1755 14.1755 k = 0.2625 0.1516 0.3254 ( 4710 PWs) bands (ev): -29.6389 -29.6389 -29.6389 -29.6389 -10.9869 -10.9869 -10.9824 -10.9824 -10.6314 -10.6314 -10.6255 -10.6255 -10.5936 -10.5936 -10.5926 -10.5926 -0.3180 -0.3180 -0.3136 -0.3136 4.9376 4.9376 4.9744 4.9744 5.3048 5.3048 5.3963 5.3963 5.7060 5.7060 5.7363 5.7363 6.5694 6.5694 6.6785 6.6785 6.9957 6.9957 7.0623 7.0623 8.0701 8.0701 8.1052 8.1052 9.7893 9.7893 9.9049 9.9049 10.3384 10.3384 10.3410 10.3410 12.5537 12.5537 12.6296 12.6296 13.7638 13.7638 13.9569 13.9569 14.2100 14.2100 k = 0.2750 0.1588 0.3254 ( 4706 PWs) bands (ev): -29.6388 -29.6388 -29.6388 -29.6388 -10.9872 -10.9872 -10.9828 -10.9828 -10.6317 -10.6317 -10.6258 -10.6258 -10.5944 -10.5944 -10.5933 -10.5933 -0.2940 -0.2940 -0.2896 -0.2896 4.9310 4.9310 4.9688 4.9688 5.3099 5.3099 5.4042 5.4042 5.7126 5.7126 5.7410 5.7410 6.5721 6.5721 6.6781 6.6781 7.0015 7.0015 7.0725 7.0725 7.9875 7.9875 8.0216 8.0216 9.7507 9.7507 9.8615 9.8615 10.3148 10.3148 10.3246 10.3246 12.5491 12.5491 12.6222 12.6222 13.7686 13.7686 13.9513 13.9513 14.2453 14.2453 k = 0.2875 0.1660 0.3254 ( 4706 PWs) bands (ev): -29.6387 -29.6387 -29.6387 -29.6387 -10.9875 -10.9875 -10.9831 -10.9831 -10.6319 -10.6319 -10.6261 -10.6261 -10.5952 -10.5952 -10.5941 -10.5941 -0.2702 -0.2702 -0.2658 -0.2658 4.9249 4.9249 4.9635 4.9635 5.3157 5.3157 5.4123 5.4123 5.7188 5.7188 5.7448 5.7448 6.5749 6.5749 6.6773 6.6773 7.0072 7.0072 7.0824 7.0824 7.9073 7.9073 7.9405 7.9405 9.7101 9.7101 9.8153 9.8153 10.2961 10.2961 10.3129 10.3129 12.5462 12.5462 12.6162 12.6162 13.7669 13.7669 13.9370 13.9370 14.2809 14.2809 k = 0.3000 0.1732 0.3254 ( 4706 PWs) bands (ev): -29.6387 -29.6387 -29.6387 -29.6387 -10.9878 -10.9878 -10.9835 -10.9835 -10.6322 -10.6322 -10.6264 -10.6264 -10.5960 -10.5960 -10.5948 -10.5948 -0.2465 -0.2465 -0.2421 -0.2421 4.9193 4.9193 4.9584 4.9584 5.3221 5.3221 5.4204 5.4204 5.7244 5.7244 5.7477 5.7477 6.5780 6.5780 6.6761 6.6761 7.0128 7.0128 7.0916 7.0916 7.8299 7.8299 7.8625 7.8625 9.6680 9.6680 9.7674 9.7674 10.2816 10.2816 10.3048 10.3048 12.5456 12.5456 12.6121 12.6121 13.7587 13.7587 13.9154 13.9154 14.3167 14.3167 k = 0.3125 0.1804 0.3254 ( 4702 PWs) bands (ev): -29.6386 -29.6386 -29.6386 -29.6386 -10.9880 -10.9880 -10.9839 -10.9839 -10.6325 -10.6325 -10.6267 -10.6267 -10.5967 -10.5967 -10.5955 -10.5955 -0.2231 -0.2231 -0.2188 -0.2188 4.9145 4.9145 4.9536 4.9536 5.3289 5.3289 5.4285 5.4285 5.7293 5.7293 5.7496 5.7496 6.5812 6.5812 6.6743 6.6743 7.0183 7.0183 7.1003 7.1003 7.7560 7.7560 7.7881 7.7881 9.6252 9.6252 9.7187 9.7187 10.2709 10.2709 10.2994 10.2994 12.5477 12.5477 12.6104 12.6104 13.7446 13.7446 13.8881 13.8881 14.3522 14.3522 k = 0.3250 0.1876 0.3254 ( 4700 PWs) bands (ev): -29.6385 -29.6385 -29.6385 -29.6385 -10.9883 -10.9883 -10.9842 -10.9842 -10.6327 -10.6327 -10.6271 -10.6271 -10.5974 -10.5974 -10.5961 -10.5961 -0.2003 -0.2003 -0.1961 -0.1961 4.9103 4.9103 4.9493 4.9493 5.3363 5.3363 5.4364 5.4364 5.7334 5.7334 5.7503 5.7503 6.5844 6.5844 6.6721 6.6721 7.0236 7.0236 7.1081 7.1081 7.6861 7.6861 7.7176 7.7176 9.5822 9.5822 9.6699 9.6699 10.2632 10.2632 10.2958 10.2958 12.5528 12.5528 12.6115 12.6115 13.7250 13.7250 13.8558 13.8558 14.3872 14.3873 k = 0.3375 0.1949 0.3254 ( 4700 PWs) bands (ev): -29.6385 -29.6385 -29.6385 -29.6385 -10.9885 -10.9885 -10.9846 -10.9846 -10.6329 -10.6329 -10.6275 -10.6275 -10.5980 -10.5980 -10.5968 -10.5968 -0.1781 -0.1781 -0.1740 -0.1740 4.9068 4.9068 4.9453 4.9453 5.3440 5.3440 5.4442 5.4442 5.7366 5.7366 5.7498 5.7498 6.5877 6.5877 6.6694 6.6694 7.0287 7.0287 7.1151 7.1151 7.6206 7.6206 7.6516 7.6516 9.5397 9.5397 9.6218 9.6218 10.2580 10.2580 10.2934 10.2934 12.5614 12.5614 12.6157 12.6157 13.7003 13.7003 13.8194 13.8194 14.4215 14.4217 k = 0.3500 0.2021 0.3254 ( 4698 PWs) bands (ev): -29.6384 -29.6384 -29.6384 -29.6384 -10.9887 -10.9887 -10.9850 -10.9850 -10.6331 -10.6331 -10.6279 -10.6279 -10.5986 -10.5986 -10.5974 -10.5974 -0.1567 -0.1567 -0.1528 -0.1528 4.9040 4.9040 4.9418 4.9418 5.3523 5.3523 5.4518 5.4518 5.7389 5.7389 5.7481 5.7481 6.5909 6.5909 6.6661 6.6661 7.0336 7.0336 7.1210 7.1210 7.5600 7.5600 7.5905 7.5905 9.4983 9.4983 9.5750 9.5750 10.2547 10.2547 10.2918 10.2918 12.5734 12.5734 12.6231 12.6231 13.6711 13.6711 13.7795 13.7795 14.4549 14.4549 k = 0.3625 0.2093 0.3254 ( 4694 PWs) bands (ev): -29.6384 -29.6384 -29.6384 -29.6384 -10.9888 -10.9888 -10.9854 -10.9854 -10.6332 -10.6332 -10.6283 -10.6283 -10.5991 -10.5991 -10.5979 -10.5979 -0.1364 -0.1364 -0.1326 -0.1326 4.9021 4.9021 4.9386 4.9386 5.3609 5.3609 5.4590 5.4590 5.7402 5.7402 5.7452 5.7452 6.5940 6.5940 6.6624 6.6624 7.0384 7.0384 7.1258 7.1258 7.5046 7.5046 7.5345 7.5345 9.4587 9.4587 9.5299 9.5299 10.2529 10.2529 10.2906 10.2906 12.5891 12.5891 12.6338 12.6338 13.6379 13.6379 13.7365 13.7365 14.4871 14.4871 k = 0.3750 0.2165 0.3254 ( 4696 PWs) bands (ev): -29.6383 -29.6383 -29.6383 -29.6383 -10.9890 -10.9890 -10.9858 -10.9858 -10.6334 -10.6334 -10.6288 -10.6288 -10.5996 -10.5996 -10.5984 -10.5984 -0.1171 -0.1171 -0.1136 -0.1136 4.9008 4.9008 4.9358 4.9358 5.3699 5.3699 5.4659 5.4659 5.7403 5.7403 5.7411 5.7411 6.5969 6.5969 6.6582 6.6582 7.0429 7.0429 7.1292 7.1292 7.4548 7.4548 7.4838 7.4838 9.4213 9.4213 9.4870 9.4870 10.2523 10.2523 10.2895 10.2895 12.6082 12.6082 12.6478 12.6478 13.6015 13.6015 13.6910 13.6910 14.5178 14.5178 k = 0.3875 0.2237 0.3254 ( 4688 PWs) bands (ev): -29.6383 -29.6383 -29.6383 -29.6383 -10.9891 -10.9891 -10.9861 -10.9861 -10.6334 -10.6334 -10.6292 -10.6292 -10.6000 -10.6000 -10.5989 -10.5989 -0.0992 -0.0992 -0.0959 -0.0959 4.9003 4.9003 4.9334 4.9334 5.3793 5.3793 5.4721 5.4721 5.7361 5.7361 5.7393 5.7393 6.5995 6.5995 6.6536 6.6536 7.0471 7.0471 7.1310 7.1310 7.4109 7.4109 7.4387 7.4387 9.3865 9.3865 9.4466 9.4466 10.2525 10.2525 10.2884 10.2884 12.6307 12.6307 12.6650 12.6650 13.5623 13.5623 13.6433 13.6433 14.5469 14.5472 k = 0.4000 0.2309 0.3254 ( 4684 PWs) bands (ev): -29.6382 -29.6382 -29.6382 -29.6382 -10.9892 -10.9892 -10.9865 -10.9865 -10.6335 -10.6335 -10.6296 -10.6296 -10.6003 -10.6003 -10.5993 -10.5993 -0.0827 -0.0827 -0.0797 -0.0797 4.9004 4.9004 4.9312 4.9312 5.3891 5.3891 5.4777 5.4777 5.7302 5.7302 5.7372 5.7372 6.6020 6.6020 6.6488 6.6488 7.0511 7.0511 7.1310 7.1310 7.3731 7.3731 7.3993 7.3993 9.3547 9.3547 9.4091 9.4091 10.2535 10.2535 10.2872 10.2872 12.6563 12.6563 12.6851 12.6851 13.5212 13.5212 13.5940 13.5940 14.5737 14.5740 k = 0.4125 0.2382 0.3254 ( 4684 PWs) bands (ev): -29.6382 -29.6382 -29.6382 -29.6382 -10.9892 -10.9892 -10.9868 -10.9868 -10.6335 -10.6335 -10.6301 -10.6301 -10.6006 -10.6006 -10.5997 -10.5997 -0.0677 -0.0677 -0.0650 -0.0650 4.9011 4.9011 4.9291 4.9291 5.3993 5.3993 5.4824 5.4824 5.7240 5.7240 5.7342 5.7342 6.6042 6.6042 6.6439 6.6439 7.0549 7.0549 7.1291 7.1291 7.3415 7.3415 7.3655 7.3655 9.3264 9.3264 9.3748 9.3748 10.2549 10.2549 10.2858 10.2858 12.6845 12.6845 12.7080 12.7080 13.4789 13.4789 13.5440 13.5440 14.5983 14.5986 k = 0.4250 0.2454 0.3254 ( 4684 PWs) bands (ev): -29.6382 -29.6382 -29.6381 -29.6381 -10.9892 -10.9892 -10.9872 -10.9872 -10.6335 -10.6335 -10.6305 -10.6305 -10.6009 -10.6009 -10.6001 -10.6001 -0.0544 -0.0544 -0.0521 -0.0521 4.9023 4.9023 4.9272 4.9272 5.4098 5.4098 5.4859 5.4859 5.7177 5.7177 5.7302 5.7302 6.6061 6.6061 6.6391 6.6391 7.0585 7.0585 7.1253 7.1253 7.3161 7.3161 7.3371 7.3371 9.3018 9.3018 9.3439 9.3439 10.2567 10.2567 10.2842 10.2842 12.7147 12.7147 12.7329 12.7329 13.4365 13.4365 13.4938 13.4938 14.6201 14.6205 k = 0.4375 0.2526 0.3254 ( 4688 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9892 -10.9892 -10.9875 -10.9875 -10.6335 -10.6335 -10.6309 -10.6309 -10.6011 -10.6011 -10.6004 -10.6004 -0.0430 -0.0430 -0.0410 -0.0410 4.9039 4.9039 4.9254 4.9254 5.4205 5.4205 5.4880 5.4880 5.7118 5.7118 5.7256 5.7256 6.6078 6.6078 6.6344 6.6344 7.0620 7.0620 7.1197 7.1197 7.2965 7.2965 7.3141 7.3141 9.2811 9.2811 9.3168 9.3168 10.2587 10.2587 10.2824 10.2824 12.7460 12.7460 12.7592 12.7592 13.3952 13.3952 13.4447 13.4447 14.6389 14.6396 k = 0.4500 0.2598 0.3254 ( 4684 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9892 -10.9892 -10.9878 -10.9878 -10.6334 -10.6334 -10.6313 -10.6313 -10.6012 -10.6012 -10.6007 -10.6007 -0.0334 -0.0334 -0.0318 -0.0318 4.9058 4.9058 4.9235 4.9235 5.4313 5.4313 5.4884 5.4884 5.7069 5.7069 5.7205 5.7205 6.6095 6.6095 6.6300 6.6300 7.0655 7.0655 7.1128 7.1128 7.2821 7.2821 7.2959 7.2959 9.2646 9.2646 9.2935 9.2935 10.2609 10.2609 10.2803 10.2803 12.7770 12.7770 12.7857 12.7857 13.3566 13.3566 13.3981 13.3981 14.6546 14.6553 k = 0.4625 0.2670 0.3254 ( 4684 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9891 -10.9891 -10.9881 -10.9881 -10.6332 -10.6332 -10.6317 -10.6317 -10.6013 -10.6013 -10.6009 -10.6009 -0.0258 -0.0258 -0.0246 -0.0246 4.9080 4.9080 4.9215 4.9215 5.4420 5.4420 5.4869 5.4869 5.7034 5.7034 5.7154 5.7154 6.6111 6.6111 6.6260 6.6260 7.0693 7.0693 7.1053 7.1053 7.2722 7.2722 7.2822 7.2822 9.2525 9.2525 9.2744 9.2744 10.2633 10.2633 10.2781 10.2781 12.8059 12.8059 12.8108 12.8108 13.3230 13.3230 13.3556 13.3556 14.6664 14.6670 k = 0.4750 0.2742 0.3254 ( 4680 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9890 -10.9890 -10.9883 -10.9883 -10.6330 -10.6330 -10.6320 -10.6320 -10.6014 -10.6014 -10.6011 -10.6011 -0.0203 -0.0203 -0.0195 -0.0195 4.9103 4.9103 4.9195 4.9195 5.4523 5.4523 5.4833 5.4833 5.7016 5.7016 5.7105 5.7105 6.6127 6.6127 6.6224 6.6224 7.0735 7.0735 7.0976 7.0976 7.2661 7.2661 7.2724 7.2724 9.2448 9.2448 9.2595 9.2595 10.2658 10.2658 10.2758 10.2758 12.8300 12.8300 12.8322 12.8322 13.2971 13.2971 13.3200 13.3200 14.6752 14.6756 k = 0.4875 0.2815 0.3254 ( 4688 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9889 -10.9889 -10.9885 -10.9885 -10.6328 -10.6328 -10.6323 -10.6323 -10.6014 -10.6014 -10.6013 -10.6013 -0.0169 -0.0169 -0.0165 -0.0165 4.9127 4.9127 4.9173 4.9173 5.4620 5.4620 5.4779 5.4779 5.7016 5.7016 5.7063 5.7063 6.6146 6.6146 6.6194 6.6194 7.0783 7.0783 7.0904 7.0904 7.2631 7.2631 7.2662 7.2662 9.2416 9.2416 9.2490 9.2490 10.2683 10.2683 10.2733 10.2733 12.8464 12.8464 12.8470 12.8470 13.2822 13.2822 13.2940 13.2940 14.6812 14.6820 k = 0.5000 0.2887 0.3254 ( 4692 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9887 -10.9887 -10.9887 -10.9887 -10.6326 -10.6326 -10.6326 -10.6326 -10.6014 -10.6014 -10.6014 -10.6014 -0.0156 -0.0156 -0.0156 -0.0156 4.9150 4.9150 4.9150 4.9150 5.4706 5.4706 5.4706 5.4706 5.7032 5.7032 5.7032 5.7032 6.6168 6.6168 6.6168 6.6168 7.0840 7.0840 7.0840 7.0840 7.2632 7.2632 7.2632 7.2632 9.2430 9.2430 9.2430 9.2430 10.2708 10.2708 10.2708 10.2708 12.8523 12.8523 12.8523 12.8523 13.2809 13.2809 13.2809 13.2809 14.6835 14.6835 k = 0.5000 0.2887 0.3254 ( 4692 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9887 -10.9887 -10.9887 -10.9887 -10.6326 -10.6326 -10.6326 -10.6326 -10.6014 -10.6014 -10.6014 -10.6014 -0.0156 -0.0156 -0.0156 -0.0156 4.9150 4.9150 4.9150 4.9150 5.4706 5.4706 5.4706 5.4706 5.7032 5.7032 5.7032 5.7032 6.6168 6.6168 6.6168 6.6168 7.0840 7.0840 7.0840 7.0840 7.2632 7.2632 7.2632 7.2632 9.2430 9.2430 9.2430 9.2430 10.2708 10.2708 10.2708 10.2708 12.8523 12.8523 12.8523 12.8523 13.2809 13.2809 13.2809 13.2809 14.6835 14.6835 k = 0.4928 0.3012 0.3254 ( 4688 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9890 -10.9890 -10.9884 -10.9884 -10.6327 -10.6327 -10.6325 -10.6325 -10.6017 -10.6017 -10.6011 -10.6011 -0.0160 -0.0160 -0.0146 -0.0146 4.9116 4.9116 4.9201 4.9201 5.4596 5.4596 5.4822 5.4822 5.6950 5.6950 5.7111 5.7111 6.5997 6.5997 6.6338 6.6338 7.0701 7.0701 7.0974 7.0974 7.2584 7.2584 7.2677 7.2677 9.2220 9.2220 9.2527 9.2527 10.2486 10.2486 10.2956 10.2956 12.8505 12.8505 12.8618 12.8618 13.2729 13.2729 13.2957 13.2957 14.6721 14.6732 k = 0.4855 0.3138 0.3254 ( 4682 PWs) bands (ev): -29.6381 -29.6381 -29.6380 -29.6380 -10.9893 -10.9893 -10.9882 -10.9882 -10.6328 -10.6328 -10.6323 -10.6323 -10.6021 -10.6021 -10.6008 -10.6008 -0.0158 -0.0158 -0.0130 -0.0130 4.9097 4.9097 4.9267 4.9267 5.4491 5.4491 5.4942 5.4942 5.6864 5.6864 5.7185 5.7185 6.5824 6.5824 6.6507 6.6507 7.0561 7.0561 7.1100 7.1100 7.2537 7.2537 7.2718 7.2718 9.1907 9.1907 9.2502 9.2502 10.2299 10.2299 10.3217 10.3217 12.8568 12.8568 12.8779 12.8779 13.2714 13.2714 13.3180 13.3180 14.6592 14.6593 k = 0.4783 0.3263 0.3254 ( 4678 PWs) bands (ev): -29.6381 -29.6381 -29.6380 -29.6380 -10.9896 -10.9896 -10.9879 -10.9879 -10.6328 -10.6328 -10.6321 -10.6321 -10.6026 -10.6026 -10.6007 -10.6007 -0.0150 -0.0150 -0.0108 -0.0108 4.9093 4.9093 4.9349 4.9349 5.4392 5.4392 5.5065 5.5065 5.6777 5.6777 5.7255 5.7255 6.5648 6.5648 6.6675 6.6675 7.0420 7.0420 7.1214 7.1214 7.2495 7.2495 7.2754 7.2754 9.1503 9.1503 9.2357 9.2357 10.2155 10.2155 10.3479 10.3479 12.8707 12.8707 12.8985 12.8985 13.2769 13.2769 13.3490 13.3490 14.6456 14.6456 k = 0.4710 0.3389 0.3254 ( 4678 PWs) bands (ev): -29.6380 -29.6380 -29.6380 -29.6380 -10.9898 -10.9898 -10.9876 -10.9876 -10.6328 -10.6328 -10.6319 -10.6319 -10.6031 -10.6031 -10.6006 -10.6006 -0.0136 -0.0136 -0.0081 -0.0081 4.9104 4.9104 4.9448 4.9448 5.4300 5.4300 5.5192 5.5192 5.6687 5.6687 5.7318 5.7318 6.5470 6.5470 6.6843 6.6843 7.0278 7.0278 7.1307 7.1307 7.2467 7.2467 7.2785 7.2785 9.1023 9.1023 9.2097 9.2097 10.2057 10.2057 10.3735 10.3735 12.8906 12.8906 12.9215 12.9215 13.2902 13.2902 13.3900 13.3900 14.6308 14.6308 k = 0.4638 0.3514 0.3254 ( 4678 PWs) bands (ev): -29.6380 -29.6380 -29.6380 -29.6380 -10.9901 -10.9901 -10.9874 -10.9874 -10.6328 -10.6328 -10.6316 -10.6316 -10.6037 -10.6037 -10.6005 -10.6005 -0.0117 -0.0117 -0.0048 -0.0048 4.9128 4.9128 4.9562 4.9562 5.4214 5.4214 5.5320 5.5320 5.6597 5.6597 5.7376 5.7376 6.5288 6.5288 6.7010 6.7010 7.0137 7.0137 7.1368 7.1368 7.2460 7.2460 7.2812 7.2812 9.0479 9.0479 9.1735 9.1735 10.2002 10.2002 10.3977 10.3977 12.9142 12.9142 12.9446 12.9446 13.3126 13.3126 13.4417 13.4417 14.6148 14.6148 k = 0.4565 0.3640 0.3254 ( 4674 PWs) bands (ev): -29.6380 -29.6380 -29.6380 -29.6380 -10.9904 -10.9904 -10.9872 -10.9872 -10.6327 -10.6327 -10.6313 -10.6313 -10.6043 -10.6043 -10.6005 -10.6005 -0.0092 -0.0092 -0.0010 -0.0010 4.9165 4.9165 4.9692 4.9692 5.4134 5.4134 5.5449 5.5449 5.6506 5.6506 5.7428 5.7428 6.5102 6.5102 6.7177 6.7177 6.9998 6.9998 7.1390 7.1390 7.2483 7.2483 7.2839 7.2839 8.9885 8.9885 9.1287 9.1287 10.1985 10.1985 10.4202 10.4202 12.9388 12.9388 12.9662 12.9662 13.3457 13.3457 13.5046 13.5046 14.5973 14.5973 k = 0.4493 0.3765 0.3254 ( 4678 PWs) bands (ev): -29.6380 -29.6380 -29.6380 -29.6380 -10.9907 -10.9907 -10.9870 -10.9870 -10.6327 -10.6327 -10.6310 -10.6310 -10.6050 -10.6050 -10.6006 -10.6006 -0.0062 -0.0062 0.0033 0.0033 4.9214 4.9214 4.9838 4.9838 5.4062 5.4062 5.5577 5.5577 5.6416 5.6416 5.7474 5.7474 6.4912 6.4912 6.7344 6.7344 6.9860 6.9860 7.1367 7.1367 7.2530 7.2530 7.2874 7.2874 8.9253 8.9253 9.0772 9.0772 10.1998 10.1998 10.4408 10.4408 12.9618 12.9618 12.9855 12.9855 13.3903 13.3903 13.5779 13.5779 14.5784 14.5784 k = 0.4420 0.3891 0.3254 ( 4686 PWs) bands (ev): -29.6380 -29.6380 -29.6380 -29.6380 -10.9910 -10.9910 -10.9868 -10.9868 -10.6326 -10.6326 -10.6307 -10.6307 -10.6058 -10.6058 -10.6008 -10.6008 -0.0029 -0.0029 0.0079 0.0079 4.9273 4.9273 4.9998 4.9998 5.3996 5.3996 5.5702 5.5702 5.6329 5.6329 5.7513 5.7513 6.4717 6.4717 6.7510 6.7510 6.9726 6.9726 7.1307 7.1307 7.2584 7.2584 7.2931 7.2931 8.8595 8.8595 9.0208 9.0208 10.2033 10.2033 10.4594 10.4594 12.9817 12.9817 13.0023 13.0023 13.4462 13.4462 13.6603 13.6603 14.5581 14.5581 k = 0.4348 0.4016 0.3254 ( 4690 PWs) bands (ev): -29.6380 -29.6380 -29.6380 -29.6380 -10.9912 -10.9912 -10.9866 -10.9866 -10.6325 -10.6325 -10.6303 -10.6303 -10.6066 -10.6066 -10.6009 -10.6009 0.0009 0.0009 0.0128 0.0128 4.9341 4.9341 5.0171 5.0171 5.3938 5.3938 5.5817 5.5817 5.6245 5.6245 5.7548 5.7548 6.4516 6.4516 6.7674 6.7674 6.9595 6.9595 7.1216 7.1216 7.2621 7.2621 7.3026 7.3026 8.7921 8.7921 8.9614 8.9614 10.2084 10.2084 10.4762 10.4762 12.9977 12.9977 13.0171 13.0171 13.5119 13.5119 13.7500 13.7500 14.5366 14.5366 k = 0.4275 0.4142 0.3254 ( 4690 PWs) bands (ev): -29.6380 -29.6380 -29.6379 -29.6379 -10.9915 -10.9915 -10.9864 -10.9864 -10.6324 -10.6324 -10.6299 -10.6299 -10.6074 -10.6074 -10.6011 -10.6011 0.0050 0.0050 0.0181 0.0181 4.9417 4.9417 5.0358 5.0358 5.3886 5.3886 5.5915 5.5915 5.6174 5.6174 5.7580 5.7580 6.4309 6.4309 6.7836 6.7836 6.9470 6.9470 7.1104 7.1104 7.2633 7.2633 7.3161 7.3161 8.7240 8.7240 8.9006 8.9006 10.2144 10.2144 10.4914 10.4914 13.0103 13.0103 13.0301 13.0301 13.5850 13.5850 13.8445 13.8445 14.5140 14.5140 k = 0.4203 0.4267 0.3254 ( 4688 PWs) bands (ev): -29.6380 -29.6380 -29.6379 -29.6379 -10.9917 -10.9917 -10.9862 -10.9862 -10.6322 -10.6322 -10.6295 -10.6295 -10.6082 -10.6082 -10.6013 -10.6013 0.0094 0.0094 0.0235 0.0235 4.9499 4.9499 5.0556 5.0556 5.3842 5.3842 5.5960 5.5960 5.6146 5.6146 5.7611 5.7611 6.4097 6.4097 6.7995 6.7995 6.9352 6.9352 7.0976 7.0976 7.2625 7.2625 7.3325 7.3325 8.6561 8.6561 8.8399 8.8399 10.2209 10.2209 10.5049 10.5049 13.0201 13.0201 13.0418 13.0418 13.6625 13.6625 13.9415 13.9415 14.4910 14.4910 k = 0.4130 0.4393 0.3254 ( 4698 PWs) bands (ev): -29.6380 -29.6380 -29.6379 -29.6379 -10.9920 -10.9920 -10.9861 -10.9861 -10.6321 -10.6321 -10.6291 -10.6291 -10.6091 -10.6091 -10.6016 -10.6016 0.0139 0.0139 0.0291 0.0291 4.9586 4.9586 5.0765 5.0765 5.3805 5.3805 5.5925 5.5925 5.6183 5.6183 5.7644 5.7644 6.3880 6.3880 6.8147 6.8147 6.9244 6.9244 7.0838 7.0838 7.2605 7.2605 7.3509 7.3509 8.5892 8.5892 8.7805 8.7805 10.2275 10.2275 10.5171 10.5171 13.0279 13.0279 13.0523 13.0523 13.7415 13.7415 14.0381 14.0381 14.4681 14.4681 k = 0.4058 0.4518 0.3254 ( 4698 PWs) bands (ev): -29.6380 -29.6380 -29.6379 -29.6379 -10.9922 -10.9922 -10.9860 -10.9860 -10.6320 -10.6320 -10.6286 -10.6286 -10.6099 -10.6099 -10.6019 -10.6019 0.0185 0.0185 0.0347 0.0347 4.9675 4.9675 5.0983 5.0983 5.3774 5.3774 5.5858 5.5858 5.6233 5.6233 5.7685 5.7685 6.3659 6.3659 6.8292 6.8292 6.9149 6.9149 7.0693 7.0693 7.2575 7.2575 7.3705 7.3705 8.5240 8.5240 8.7234 8.7234 10.2339 10.2339 10.5279 10.5279 13.0343 13.0343 13.0619 13.0619 13.8190 13.8190 14.1308 14.1308 14.4463 14.4463 k = 0.3986 0.4644 0.3254 ( 4700 PWs) bands (ev): -29.6380 -29.6380 -29.6379 -29.6379 -10.9924 -10.9924 -10.9859 -10.9859 -10.6318 -10.6318 -10.6281 -10.6281 -10.6108 -10.6108 -10.6021 -10.6021 0.0232 0.0232 0.0402 0.0402 4.9764 4.9764 5.1206 5.1206 5.3751 5.3751 5.5787 5.5787 5.6265 5.6265 5.7735 5.7735 6.3435 6.3435 6.8422 6.8422 6.9072 6.9072 7.0544 7.0544 7.2540 7.2540 7.3909 7.3909 8.4612 8.4612 8.6697 8.6697 10.2400 10.2400 10.5376 10.5376 13.0397 13.0397 13.0707 13.0707 13.8926 13.8926 14.2145 14.2145 14.4278 14.4278 k = 0.3913 0.4769 0.3254 ( 4704 PWs) bands (ev): -29.6379 -29.6379 -29.6379 -29.6379 -10.9926 -10.9926 -10.9858 -10.9858 -10.6317 -10.6317 -10.6276 -10.6276 -10.6116 -10.6116 -10.6024 -10.6024 0.0278 0.0278 0.0456 0.0456 4.9851 4.9851 5.1434 5.1434 5.3733 5.3733 5.5717 5.5717 5.6270 5.6270 5.7797 5.7797 6.3211 6.3211 6.8528 6.8528 6.9024 6.9024 7.0395 7.0395 7.2501 7.2501 7.4118 7.4118 8.4016 8.4016 8.6200 8.6200 10.2456 10.2456 10.5461 10.5461 13.0445 13.0445 13.0788 13.0788 13.9601 13.9601 14.2792 14.2792 14.4172 14.4172 k = 0.3841 0.4895 0.3254 ( 4704 PWs) bands (ev): -29.6379 -29.6379 -29.6379 -29.6379 -10.9928 -10.9928 -10.9857 -10.9857 -10.6316 -10.6316 -10.6272 -10.6272 -10.6125 -10.6125 -10.6027 -10.6027 0.0322 0.0322 0.0508 0.0508 4.9935 4.9935 5.1662 5.1662 5.3722 5.3722 5.5650 5.5650 5.6248 5.6248 5.7871 5.7871 6.2991 6.2991 6.8598 6.8598 6.9016 6.9016 7.0248 7.0248 7.2460 7.2460 7.4327 7.4327 8.3459 8.3459 8.5750 8.5750 10.2506 10.2506 10.5536 10.5536 13.0488 13.0488 13.0863 13.0863 14.0200 14.0200 14.3095 14.3095 14.4174 14.4174 k = 0.3768 0.5020 0.3254 ( 4708 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9929 -10.9929 -10.9857 -10.9857 -10.6315 -10.6315 -10.6267 -10.6267 -10.6132 -10.6132 -10.6029 -10.6029 0.0364 0.0364 0.0556 0.0556 5.0013 5.0013 5.1885 5.1885 5.3716 5.3716 5.5589 5.5589 5.6199 5.6199 5.7953 5.7953 6.2779 6.2779 6.8626 6.8626 6.9051 6.9051 7.0107 7.0107 7.2419 7.2419 7.4531 7.4531 8.2947 8.2947 8.5352 8.5352 10.2550 10.2550 10.5600 10.5600 13.0526 13.0526 13.0932 13.0932 14.0716 14.0716 14.3090 14.3090 14.4125 14.4125 k = 0.3696 0.5146 0.3254 ( 4710 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9931 -10.9931 -10.9856 -10.9856 -10.6313 -10.6313 -10.6263 -10.6263 -10.6140 -10.6140 -10.6032 -10.6032 0.0402 0.0402 0.0599 0.0599 5.0082 5.0082 5.2099 5.2099 5.3716 5.3716 5.5536 5.5536 5.6129 5.6129 5.8038 5.8038 6.2580 6.2580 6.8631 6.8631 6.9110 6.9110 6.9977 6.9977 7.2380 7.2380 7.4725 7.4725 8.2488 8.2488 8.5011 8.5011 10.2587 10.2587 10.5654 10.5654 13.0560 13.0560 13.0993 13.0993 14.1149 14.1149 14.2970 14.2970 14.4003 14.4003 k = 0.3623 0.5271 0.3254 ( 4710 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9932 -10.9932 -10.9856 -10.9856 -10.6312 -10.6312 -10.6259 -10.6259 -10.6146 -10.6146 -10.6033 -10.6033 0.0435 0.0435 0.0637 0.0637 5.0142 5.0142 5.2294 5.2294 5.3719 5.3719 5.5493 5.5493 5.6045 5.6045 5.8119 5.8119 6.2402 6.2402 6.8629 6.8629 6.9167 6.9167 6.9863 6.9863 7.2345 7.2345 7.4901 7.4901 8.2093 8.2093 8.4728 8.4728 10.2617 10.2617 10.5699 10.5699 13.0589 13.0589 13.1046 13.1046 14.1506 14.1506 14.2823 14.2823 14.3865 14.3865 k = 0.3551 0.5397 0.3254 ( 4702 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9932 -10.9932 -10.9855 -10.9855 -10.6311 -10.6311 -10.6255 -10.6255 -10.6151 -10.6151 -10.6035 -10.6035 0.0463 0.0463 0.0669 0.0669 5.0191 5.0191 5.2463 5.2463 5.3725 5.3725 5.5464 5.5464 5.5953 5.5953 5.8191 5.8191 6.2252 6.2252 6.8633 6.8633 6.9206 6.9206 6.9774 6.9774 7.2315 7.2315 7.5051 7.5051 8.1771 8.1771 8.4507 8.4507 10.2640 10.2640 10.5733 10.5733 13.0613 13.0613 13.1089 13.1089 14.1795 14.1795 14.2682 14.2682 14.3734 14.3734 k = 0.3478 0.5522 0.3254 ( 4694 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9933 -10.9933 -10.9855 -10.9855 -10.6311 -10.6311 -10.6252 -10.6252 -10.6155 -10.6155 -10.6036 -10.6036 0.0484 0.0484 0.0693 0.0693 5.0227 5.0227 5.2594 5.2594 5.3733 5.3733 5.5453 5.5453 5.5865 5.5865 5.8246 5.8246 6.2139 6.2139 6.8643 6.8643 6.9218 6.9218 6.9717 6.9717 7.2293 7.2293 7.5167 7.5167 8.1532 8.1532 8.4349 8.4349 10.2656 10.2656 10.5758 10.5758 13.0632 13.0632 13.1121 13.1121 14.2022 14.2022 14.2557 14.2557 14.3623 14.3623 k = 0.3406 0.5648 0.3254 ( 4688 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9933 -10.9933 -10.9855 -10.9855 -10.6310 -10.6310 -10.6250 -10.6250 -10.6158 -10.6158 -10.6037 -10.6037 0.0498 0.0498 0.0708 0.0708 5.0249 5.0249 5.2678 5.2678 5.3739 5.3739 5.5459 5.5459 5.5793 5.5793 5.8280 5.8280 6.2067 6.2067 6.8657 6.8657 6.9208 6.9208 6.9691 6.9691 7.2279 7.2279 7.5240 7.5240 8.1384 8.1384 8.4253 8.4253 10.2666 10.2666 10.5773 10.5773 13.0643 13.0643 13.1140 13.1140 14.2187 14.2187 14.2458 14.2458 14.3543 14.3543 k = 0.3333 0.5774 0.3254 ( 4692 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9933 -10.9933 -10.9855 -10.9855 -10.6310 -10.6310 -10.6250 -10.6250 -10.6159 -10.6159 -10.6037 -10.6037 0.0502 0.0502 0.0713 0.0713 5.0256 5.0256 5.2706 5.2706 5.3742 5.3742 5.5467 5.5467 5.5761 5.5761 5.8292 5.8292 6.2043 6.2043 6.8664 6.8664 6.9199 6.9199 6.9685 6.9685 7.2274 7.2274 7.5264 7.5264 8.1335 8.1335 8.4222 8.4222 10.2669 10.2669 10.5777 10.5777 13.0647 13.0647 13.1147 13.1147 14.2258 14.2258 14.2411 14.2411 14.3511 14.3511 k = 0.3333 0.5774 0.3254 ( 4692 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9933 -10.9933 -10.9855 -10.9855 -10.6310 -10.6310 -10.6250 -10.6250 -10.6159 -10.6159 -10.6037 -10.6037 0.0502 0.0502 0.0713 0.0713 5.0256 5.0256 5.2706 5.2706 5.3742 5.3742 5.5467 5.5467 5.5761 5.5761 5.8292 5.8292 6.2043 6.2043 6.8664 6.8664 6.9199 6.9199 6.9685 6.9685 7.2274 7.2274 7.5264 7.5264 8.1335 8.1335 8.4222 8.4222 10.2669 10.2669 10.5777 10.5777 13.0647 13.0647 13.1147 13.1147 14.2258 14.2258 14.2411 14.2411 14.3511 14.3511 k = 0.3261 0.5648 0.3254 ( 4684 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9933 -10.9933 -10.9855 -10.9855 -10.6310 -10.6310 -10.6250 -10.6250 -10.6158 -10.6158 -10.6037 -10.6037 0.0498 0.0498 0.0707 0.0707 5.0249 5.0249 5.2678 5.2678 5.3739 5.3739 5.5452 5.5452 5.5800 5.5800 5.8281 5.8281 6.2067 6.2067 6.8653 6.8653 6.9216 6.9216 6.9688 6.9688 7.2279 7.2279 7.5240 7.5240 8.1384 8.1384 8.4253 8.4253 10.2666 10.2666 10.5773 10.5773 13.0643 13.0643 13.1141 13.1141 14.2204 14.2204 14.2437 14.2437 14.3548 14.3548 k = 0.3188 0.5522 0.3254 ( 4692 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9933 -10.9933 -10.9855 -10.9855 -10.6311 -10.6311 -10.6252 -10.6252 -10.6155 -10.6155 -10.6036 -10.6036 0.0482 0.0482 0.0690 0.0690 5.0227 5.0227 5.2596 5.2596 5.3729 5.3729 5.5412 5.5412 5.5906 5.5906 5.8252 5.8252 6.2138 6.2138 6.8617 6.8617 6.9272 6.9272 6.9694 6.9694 7.2294 7.2294 7.5171 7.5171 8.1528 8.1528 8.4347 8.4347 10.2657 10.2657 10.5758 10.5758 13.0630 13.0630 13.1123 13.1123 14.2094 14.2094 14.2464 14.2464 14.3659 14.3659 k = 0.3116 0.5397 0.3254 ( 4692 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9932 -10.9932 -10.9855 -10.9855 -10.6311 -10.6311 -10.6254 -10.6254 -10.6151 -10.6151 -10.6035 -10.6035 0.0455 0.0455 0.0661 0.0661 5.0191 5.0191 5.2470 5.2470 5.3713 5.3713 5.5365 5.5365 5.6055 5.6055 5.8210 5.8210 6.2250 6.2250 6.8559 6.8559 6.9365 6.9365 6.9706 6.9706 7.2318 7.2318 7.5067 7.5067 8.1760 8.1760 8.4500 8.4500 10.2643 10.2643 10.5734 10.5734 13.0608 13.0608 13.1095 13.1095 14.1941 14.1941 14.2487 14.2487 14.3835 14.3835 k = 0.3043 0.5271 0.3254 ( 4700 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9931 -10.9931 -10.9855 -10.9855 -10.6312 -10.6312 -10.6257 -10.6257 -10.6147 -10.6147 -10.6033 -10.6033 0.0416 0.0416 0.0619 0.0619 5.0143 5.0143 5.2308 5.2308 5.3690 5.3690 5.5319 5.5319 5.6226 5.6226 5.8161 5.8161 6.2397 6.2397 6.8487 6.8487 6.9478 6.9478 6.9738 6.9738 7.2351 7.2351 7.4936 7.4936 8.2070 8.2070 8.4713 8.4713 10.2624 10.2624 10.5700 10.5700 13.0576 13.0576 13.1062 13.1062 14.1745 14.1745 14.2508 14.2508 14.4062 14.4062 k = 0.2971 0.5146 0.3254 ( 4698 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9930 -10.9930 -10.9855 -10.9855 -10.6313 -10.6313 -10.6259 -10.6259 -10.6140 -10.6140 -10.6031 -10.6031 0.0365 0.0365 0.0563 0.0563 5.0083 5.0083 5.2123 5.2123 5.3661 5.3661 5.5277 5.5277 5.6407 5.6407 5.8112 5.8112 6.2575 6.2575 6.8405 6.8405 6.9568 6.9568 6.9828 6.9828 7.2392 7.2392 7.4791 7.4791 8.2448 8.2448 8.4982 8.4982 10.2601 10.2601 10.5657 10.5657 13.0533 13.0533 13.1027 13.1027 14.1513 14.1513 14.2518 14.2518 14.4329 14.4329 k = 0.2899 0.5020 0.3254 ( 4694 PWs) bands (ev): -29.6379 -29.6379 -29.6379 -29.6379 -10.9929 -10.9929 -10.9855 -10.9855 -10.6314 -10.6314 -10.6262 -10.6262 -10.6134 -10.6134 -10.6028 -10.6028 0.0300 0.0300 0.0493 0.0493 5.0014 5.0014 5.1922 5.1922 5.3625 5.3625 5.5238 5.5238 5.6589 5.6589 5.8065 5.8065 6.2775 6.2775 6.8315 6.8315 6.9613 6.9613 7.0001 7.0001 7.2440 7.2440 7.4642 7.4642 8.2885 8.2885 8.5305 8.5305 10.2573 10.2573 10.5604 10.5604 13.0481 13.0481 13.0997 13.0997 14.1250 14.1250 14.2499 14.2499 14.4627 14.4627 k = 0.2826 0.4895 0.3254 ( 4694 PWs) bands (ev): -29.6380 -29.6380 -29.6379 -29.6379 -10.9927 -10.9927 -10.9855 -10.9855 -10.6316 -10.6316 -10.6264 -10.6264 -10.6126 -10.6126 -10.6025 -10.6025 0.0222 0.0222 0.0409 0.0409 4.9937 4.9937 5.1714 5.1714 5.3583 5.3583 5.5202 5.5202 5.6763 5.6763 5.8025 5.8025 6.2994 6.2994 6.8219 6.8219 6.9638 6.9638 7.0232 7.0232 7.2492 7.2492 7.4500 7.4500 8.3374 8.3374 8.5679 8.5679 10.2542 10.2542 10.5543 10.5543 13.0418 13.0418 13.0975 13.0975 14.0959 14.0959 14.2429 14.2429 14.4946 14.4946 k = 0.2754 0.4769 0.3254 ( 4700 PWs) bands (ev): -29.6380 -29.6380 -29.6379 -29.6379 -10.9925 -10.9925 -10.9854 -10.9854 -10.6317 -10.6317 -10.6266 -10.6266 -10.6119 -10.6119 -10.6022 -10.6022 0.0129 0.0129 0.0311 0.0311 4.9855 4.9855 5.1506 5.1506 5.3535 5.3535 5.5168 5.5168 5.6923 5.6923 5.7993 5.7993 6.3226 6.3226 6.8116 6.8116 6.9660 6.9660 7.0504 7.0504 7.2546 7.2546 7.4378 7.4378 8.3908 8.3908 8.6102 8.6102 10.2507 10.2507 10.5473 10.5473 13.0349 13.0349 13.0964 13.0964 14.0645 14.0645 14.2295 14.2295 14.5271 14.5271 k = 0.2681 0.4644 0.3254 ( 4696 PWs) bands (ev): -29.6380 -29.6380 -29.6379 -29.6379 -10.9923 -10.9923 -10.9854 -10.9854 -10.6318 -10.6318 -10.6267 -10.6267 -10.6111 -10.6111 -10.6018 -10.6018 0.0023 0.0023 0.0198 0.0198 4.9770 4.9770 5.1303 5.1303 5.3481 5.3481 5.5135 5.5135 5.7065 5.7065 5.7969 5.7969 6.3466 6.3466 6.8008 6.8008 6.9685 6.9685 7.0812 7.0812 7.2597 7.2597 7.4288 7.4288 8.4483 8.4483 8.6570 8.6570 10.2470 10.2470 10.5395 10.5395 13.0276 13.0276 13.0968 13.0968 14.0309 14.0309 14.2093 14.2093 14.5578 14.5578 k = 0.2609 0.4518 0.3254 ( 4694 PWs) bands (ev): -29.6380 -29.6380 -29.6380 -29.6380 -10.9921 -10.9921 -10.9853 -10.9853 -10.6320 -10.6320 -10.6268 -10.6268 -10.6102 -10.6102 -10.6013 -10.6013 -0.0097 -0.0097 0.0070 0.0070 4.9685 4.9685 5.1110 5.1110 5.3423 5.3423 5.5102 5.5102 5.7185 5.7185 5.7954 5.7954 6.3711 6.3711 6.7896 6.7896 6.9713 6.9713 7.1148 7.1148 7.2640 7.2640 7.4247 7.4247 8.5095 8.5095 8.7081 8.7081 10.2430 10.2430 10.5308 10.5308 13.0204 13.0204 13.0988 13.0988 13.9953 13.9953 14.1831 14.1831 14.5803 14.5803 k = 0.2536 0.4393 0.3254 ( 4684 PWs) bands (ev): -29.6381 -29.6381 -29.6380 -29.6380 -10.9918 -10.9918 -10.9852 -10.9852 -10.6321 -10.6321 -10.6268 -10.6268 -10.6093 -10.6093 -10.6009 -10.6009 -0.0230 -0.0230 -0.0071 -0.0071 4.9600 4.9600 5.0929 5.0929 5.3362 5.3362 5.5069 5.5069 5.7280 5.7280 5.7948 5.7948 6.3955 6.3955 6.7781 6.7781 6.9744 6.9744 7.1500 7.1500 7.2678 7.2678 7.4270 7.4270 8.5740 8.5740 8.7631 8.7631 10.2389 10.2389 10.5214 10.5214 13.0134 13.0134 13.1025 13.1025 13.9578 13.9578 14.1519 14.1519 14.5834 14.5834 k = 0.2464 0.4267 0.3254 ( 4690 PWs) bands (ev): -29.6381 -29.6381 -29.6380 -29.6380 -10.9916 -10.9916 -10.9851 -10.9851 -10.6322 -10.6322 -10.6269 -10.6269 -10.6084 -10.6084 -10.6004 -10.6004 -0.0378 -0.0378 -0.0227 -0.0227 4.9518 4.9518 5.0764 5.0764 5.3297 5.3297 5.5035 5.5035 5.7350 5.7350 5.7947 5.7947 6.4194 6.4194 6.7664 6.7664 6.9777 6.9777 7.1833 7.1833 7.2742 7.2742 7.4367 7.4367 8.6416 8.6416 8.8217 8.8217 10.2346 10.2346 10.5113 10.5113 13.0072 13.0072 13.1079 13.1079 13.9185 13.9185 14.1171 14.1171 14.5626 14.5626 k = 0.2391 0.4142 0.3254 ( 4682 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9913 -10.9913 -10.9850 -10.9850 -10.6323 -10.6323 -10.6268 -10.6268 -10.6075 -10.6075 -10.5999 -10.5999 -0.0538 -0.0538 -0.0395 -0.0395 4.9441 4.9441 5.0615 5.0615 5.3231 5.3231 5.4999 5.4999 5.7396 5.7396 5.7951 5.7951 6.4425 6.4425 6.7547 6.7547 6.9811 6.9811 7.2056 7.2056 7.2922 7.2922 7.4542 7.4542 8.7119 8.7119 8.8837 8.8837 10.2304 10.2304 10.5006 10.5006 13.0018 13.0018 13.1152 13.1152 13.8775 13.8775 14.0797 14.0797 14.5229 14.5229 k = 0.2319 0.4016 0.3254 ( 4678 PWs) bands (ev): -29.6382 -29.6382 -29.6381 -29.6381 -10.9909 -10.9909 -10.9848 -10.9848 -10.6324 -10.6324 -10.6268 -10.6268 -10.6065 -10.6065 -10.5993 -10.5993 -0.0711 -0.0711 -0.0576 -0.0576 4.9371 4.9371 5.0486 5.0486 5.3164 5.3164 5.4961 5.4961 5.7419 5.7419 5.7956 5.7956 6.4644 6.4644 6.7431 6.7431 6.9842 6.9842 7.2110 7.2110 7.3285 7.3285 7.4791 7.4791 8.7848 8.7848 8.9486 8.9486 10.2263 10.2263 10.4893 10.4893 12.9975 12.9975 13.1243 13.1243 13.8348 13.8348 14.0406 14.0406 14.4721 14.4721 k = 0.2246 0.3891 0.3254 ( 4680 PWs) bands (ev): -29.6382 -29.6382 -29.6382 -29.6382 -10.9906 -10.9906 -10.9846 -10.9846 -10.6324 -10.6324 -10.6267 -10.6267 -10.6055 -10.6055 -10.5988 -10.5988 -0.0896 -0.0896 -0.0769 -0.0769 4.9308 4.9308 5.0375 5.0375 5.3095 5.3095 5.4920 5.4920 5.7423 5.7423 5.7957 5.7957 6.4847 6.4847 6.7319 6.7319 6.9871 6.9871 7.2062 7.2062 7.3771 7.3771 7.5109 7.5109 8.8599 8.8599 9.0162 9.0162 10.2224 10.2224 10.4776 10.4776 12.9943 12.9943 13.1353 13.1353 13.7905 13.7905 14.0002 14.0002 14.4163 14.4163 k = 0.2174 0.3765 0.3254 ( 4684 PWs) bands (ev): -29.6383 -29.6383 -29.6382 -29.6382 -10.9903 -10.9903 -10.9845 -10.9845 -10.6324 -10.6324 -10.6266 -10.6266 -10.6045 -10.6045 -10.5982 -10.5982 -0.1091 -0.1091 -0.0973 -0.0973 4.9255 4.9255 5.0284 5.0284 5.3028 5.3028 5.4875 5.4875 5.7411 5.7411 5.7954 5.7954 6.5031 6.5031 6.7212 6.7212 6.9896 6.9896 7.1968 7.1968 7.4326 7.4326 7.5493 7.5493 8.9370 8.9370 9.0861 9.0861 10.2189 10.2189 10.4656 10.4656 12.9921 12.9921 13.1479 13.1479 13.7449 13.7449 13.9588 13.9588 14.3592 14.3592 k = 0.2101 0.3640 0.3254 ( 4692 PWs) bands (ev): -29.6384 -29.6384 -29.6383 -29.6383 -10.9900 -10.9900 -10.9843 -10.9843 -10.6324 -10.6324 -10.6265 -10.6265 -10.6035 -10.6035 -10.5976 -10.5976 -0.1297 -0.1297 -0.1186 -0.1186 4.9212 4.9212 5.0212 5.0212 5.2961 5.2961 5.4826 5.4826 5.7386 5.7386 5.7942 5.7942 6.5194 6.5194 6.7113 6.7113 6.9916 6.9916 7.1854 7.1854 7.4931 7.4931 7.5938 7.5938 9.0157 9.0157 9.1580 9.1580 10.2160 10.2160 10.4534 10.4534 12.9908 12.9908 13.1620 13.1620 13.6982 13.6982 13.9168 13.9168 14.3031 14.3031 k = 0.2029 0.3514 0.3254 ( 4700 PWs) bands (ev): -29.6384 -29.6384 -29.6384 -29.6384 -10.9897 -10.9897 -10.9841 -10.9841 -10.6324 -10.6324 -10.6263 -10.6263 -10.6025 -10.6025 -10.5970 -10.5970 -0.1511 -0.1511 -0.1408 -0.1408 4.9179 4.9179 5.0157 5.0157 5.2896 5.2896 5.4773 5.4773 5.7352 5.7352 5.7922 5.7922 6.5335 6.5335 6.7022 6.7022 6.9929 6.9929 7.1729 7.1729 7.5575 7.5575 7.6441 7.6441 9.0958 9.0958 9.2316 9.2316 10.2139 10.2139 10.4413 10.4413 12.9901 12.9901 13.1772 13.1772 13.6509 13.6509 13.8741 13.8741 14.2495 14.2495 k = 0.1957 0.3389 0.3254 ( 4696 PWs) bands (ev): -29.6385 -29.6385 -29.6384 -29.6384 -10.9893 -10.9893 -10.9838 -10.9838 -10.6323 -10.6323 -10.6262 -10.6262 -10.6015 -10.6015 -10.5963 -10.5963 -0.1733 -0.1733 -0.1637 -0.1637 4.9158 4.9158 5.0119 5.0119 5.2833 5.2833 5.4716 5.4716 5.7309 5.7309 5.7893 5.7893 6.5452 6.5452 6.6941 6.6941 6.9937 6.9937 7.1598 7.1598 7.6254 7.6254 7.7000 7.7000 9.1767 9.1767 9.3063 9.3063 10.2130 10.2130 10.4296 10.4296 12.9897 12.9897 13.1930 13.1930 13.6035 13.6035 13.8311 13.8311 14.1996 14.1996 k = 0.1884 0.3263 0.3254 ( 4700 PWs) bands (ev): -29.6385 -29.6385 -29.6385 -29.6385 -10.9890 -10.9890 -10.9836 -10.9836 -10.6322 -10.6322 -10.6260 -10.6260 -10.6004 -10.6004 -10.5956 -10.5956 -0.1962 -0.1962 -0.1873 -0.1873 4.9149 4.9149 5.0097 5.0097 5.2774 5.2774 5.4653 5.4653 5.7259 5.7259 5.7854 5.7854 6.5546 6.5546 6.6873 6.6873 6.9938 6.9938 7.1463 7.1463 7.6963 7.6963 7.7609 7.7609 9.2581 9.2581 9.3819 9.3819 10.2137 10.2137 10.4184 10.4184 12.9889 12.9889 13.2084 13.2084 13.5570 13.5570 13.7878 13.7878 14.1541 14.1541 k = 0.1812 0.3138 0.3254 ( 4704 PWs) bands (ev): -29.6386 -29.6386 -29.6386 -29.6386 -10.9886 -10.9886 -10.9833 -10.9833 -10.6320 -10.6320 -10.6258 -10.6258 -10.5994 -10.5994 -10.5950 -10.5950 -0.2196 -0.2196 -0.2113 -0.2113 4.9152 4.9152 5.0087 5.0087 5.2720 5.2720 5.4586 5.4586 5.7204 5.7204 5.7807 5.7807 6.5616 6.5616 6.6817 6.6817 6.9933 6.9933 7.1326 7.1326 7.7700 7.7700 7.8267 7.8267 9.3394 9.3394 9.4579 9.4579 10.2165 10.2165 10.4083 10.4083 12.9871 12.9871 13.2220 13.2220 13.5128 13.5128 13.7448 13.7448 14.1134 14.1134 k = 0.1739 0.3012 0.3254 ( 4708 PWs) bands (ev): -29.6387 -29.6387 -29.6386 -29.6386 -10.9883 -10.9883 -10.9830 -10.9830 -10.6319 -10.6319 -10.6257 -10.6257 -10.5983 -10.5983 -10.5943 -10.5943 -0.2434 -0.2434 -0.2357 -0.2357 4.9167 4.9167 5.0089 5.0089 5.2670 5.2670 5.4513 5.4513 5.7145 5.7145 5.7752 5.7752 6.5663 6.5663 6.6776 6.6776 6.9922 6.9922 7.1189 7.1189 7.8461 7.8461 7.8968 7.8968 9.4198 9.4198 9.5337 9.5337 10.2219 10.2219 10.3997 10.3997 12.9834 12.9834 13.2312 13.2312 13.4732 13.4732 13.7029 13.7029 14.0776 14.0776 k = 0.1667 0.2887 0.3254 ( 4702 PWs) bands (ev): -29.6387 -29.6387 -29.6387 -29.6387 -10.9879 -10.9879 -10.9827 -10.9827 -10.6316 -10.6316 -10.6255 -10.6255 -10.5972 -10.5972 -10.5935 -10.5935 -0.2674 -0.2674 -0.2602 -0.2602 4.9193 4.9193 5.0100 5.0100 5.2628 5.2628 5.4437 5.4437 5.7083 5.7083 5.7690 5.7690 6.5691 6.5691 6.6747 6.6747 6.9904 6.9904 7.1051 7.1051 7.9244 7.9244 7.9707 7.9707 9.4985 9.4985 9.6088 9.6088 10.2307 10.2307 10.3933 10.3933 12.9768 12.9768 13.2319 13.2319 13.4421 13.4421 13.6629 13.6629 14.0468 14.0468 k = 0.1594 0.2761 0.3254 ( 4706 PWs) bands (ev): -29.6388 -29.6388 -29.6388 -29.6388 -10.9875 -10.9875 -10.9825 -10.9825 -10.6314 -10.6314 -10.6253 -10.6253 -10.5961 -10.5961 -10.5928 -10.5928 -0.2916 -0.2916 -0.2849 -0.2849 4.9229 4.9229 5.0119 5.0119 5.2593 5.2593 5.4357 5.4357 5.7019 5.7019 5.7622 5.7622 6.5702 6.5702 6.6728 6.6728 6.9880 6.9880 7.0913 7.0913 8.0045 8.0045 8.0480 8.0480 9.5743 9.5743 9.6826 9.6826 10.2437 10.2437 10.3898 10.3898 12.9663 12.9663 13.2195 13.2195 13.4236 13.4236 13.6259 13.6259 14.0206 14.0206 k = 0.1522 0.2636 0.3254 ( 4706 PWs) bands (ev): -29.6389 -29.6389 -29.6388 -29.6388 -10.9871 -10.9871 -10.9822 -10.9822 -10.6312 -10.6312 -10.6252 -10.6252 -10.5950 -10.5950 -10.5921 -10.5921 -0.3158 -0.3158 -0.3096 -0.3096 4.9275 4.9275 5.0141 5.0141 5.2566 5.2566 5.4273 5.4273 5.6954 5.6954 5.7548 5.7548 6.5702 6.5702 6.6718 6.6718 6.9851 6.9851 7.0776 7.0776 8.0860 8.0860 8.1279 8.1279 9.6460 9.6460 9.7544 9.7544 10.2618 10.2618 10.3905 10.3905 12.9509 12.9509 13.1927 13.1927 13.4187 13.4187 13.5930 13.5930 13.9985 13.9985 k = 0.1449 0.2510 0.3254 ( 4702 PWs) bands (ev): -29.6389 -29.6389 -29.6389 -29.6389 -10.9867 -10.9867 -10.9819 -10.9819 -10.6309 -10.6309 -10.6250 -10.6250 -10.5939 -10.5939 -10.5913 -10.5913 -0.3398 -0.3398 -0.3340 -0.3340 4.9330 4.9330 5.0167 5.0167 5.2550 5.2550 5.4188 5.4188 5.6888 5.6888 5.7469 5.7469 6.5693 6.5693 6.6714 6.6714 6.9816 6.9816 7.0640 7.0640 8.1686 8.1686 8.2100 8.2100 9.7123 9.7123 9.8233 9.8233 10.2858 10.2858 10.3968 10.3968 12.9299 12.9299 13.1546 13.1546 13.4236 13.4236 13.5653 13.5653 13.9800 13.9800 k = 0.1377 0.2385 0.3254 ( 4706 PWs) bands (ev): -29.6390 -29.6390 -29.6390 -29.6390 -10.9864 -10.9864 -10.9816 -10.9816 -10.6306 -10.6306 -10.6249 -10.6249 -10.5929 -10.5929 -10.5905 -10.5905 -0.3636 -0.3636 -0.3582 -0.3582 4.9393 4.9393 5.0193 5.0193 5.2546 5.2546 5.4102 5.4102 5.6821 5.6821 5.7387 5.7387 6.5679 6.5679 6.6712 6.6712 6.9777 6.9777 7.0506 7.0506 8.2519 8.2519 8.2935 8.2935 9.7724 9.7724 9.8880 9.8880 10.3162 10.3162 10.4105 10.4105 12.9030 12.9030 13.1091 13.1091 13.4335 13.4335 13.5432 13.5432 13.9642 13.9642 k = 0.1304 0.2259 0.3254 ( 4702 PWs) bands (ev): -29.6391 -29.6391 -29.6391 -29.6391 -10.9860 -10.9860 -10.9813 -10.9813 -10.6303 -10.6303 -10.6247 -10.6247 -10.5918 -10.5918 -10.5898 -10.5898 -0.3869 -0.3869 -0.3819 -0.3819 4.9461 4.9461 5.0217 5.0217 5.2553 5.2553 5.4016 5.4016 5.6754 5.6754 5.7301 5.7301 6.5665 6.5665 6.6711 6.6711 6.9734 6.9734 7.0373 7.0373 8.3352 8.3352 8.3776 8.3776 9.8260 9.8260 9.9473 9.9473 10.3531 10.3531 10.4332 10.4332 12.8702 12.8702 13.0585 13.0585 13.4454 13.4454 13.5271 13.5271 13.9503 13.9503 k = 0.1232 0.2134 0.3254 ( 4706 PWs) bands (ev): -29.6391 -29.6391 -29.6391 -29.6391 -10.9856 -10.9856 -10.9811 -10.9811 -10.6301 -10.6301 -10.6246 -10.6246 -10.5907 -10.5907 -10.5890 -10.5890 -0.4097 -0.4097 -0.4050 -0.4050 4.9534 4.9534 5.0238 5.0238 5.2573 5.2573 5.3932 5.3932 5.6686 5.6686 5.7213 5.7213 6.5651 6.5651 6.6710 6.6710 6.9686 6.9686 7.0243 7.0243 8.4181 8.4181 8.4616 8.4616 9.8738 9.8738 9.9998 9.9998 10.3964 10.3964 10.4662 10.4662 12.8316 12.8316 13.0041 13.0041 13.4574 13.4574 13.5170 13.5170 13.9373 13.9373 k = 0.1159 0.2008 0.3254 ( 4706 PWs) bands (ev): -29.6392 -29.6392 -29.6392 -29.6392 -10.9852 -10.9852 -10.9809 -10.9809 -10.6297 -10.6297 -10.6245 -10.6245 -10.5897 -10.5897 -10.5882 -10.5882 -0.4319 -0.4319 -0.4275 -0.4275 4.9610 4.9610 5.0255 5.0255 5.2606 5.2606 5.3852 5.3852 5.6618 5.6618 5.7124 5.7124 6.5640 6.5640 6.6707 6.6707 6.9636 6.9636 7.0116 7.0116 8.4998 8.4998 8.5446 8.5446 9.9171 9.9171 10.0452 10.0452 10.4460 10.4460 10.5090 10.5090 12.7879 12.7879 12.9462 12.9462 13.4680 13.4680 13.5129 13.5129 13.9244 13.9244 k = 0.1087 0.1883 0.3254 ( 4708 PWs) bands (ev): -29.6393 -29.6393 -29.6393 -29.6393 -10.9848 -10.9848 -10.9806 -10.9806 -10.6294 -10.6294 -10.6245 -10.6245 -10.5888 -10.5888 -10.5875 -10.5875 -0.4534 -0.4534 -0.4493 -0.4493 4.9686 4.9686 5.0267 5.0267 5.2651 5.2651 5.3777 5.3777 5.6550 5.6550 5.7033 5.7033 6.5633 6.5633 6.6702 6.6702 6.9583 6.9583 6.9992 6.9992 8.5794 8.5794 8.6258 8.6258 9.9577 9.9577 10.0844 10.0844 10.5015 10.5015 10.5599 10.5599 12.7395 12.7395 12.8850 12.8850 13.4766 13.4766 13.5147 13.5147 13.9106 13.9106 k = 0.1014 0.1757 0.3254 ( 4716 PWs) bands (ev): -29.6393 -29.6393 -29.6393 -29.6393 -10.9845 -10.9845 -10.9805 -10.9805 -10.6291 -10.6291 -10.6244 -10.6244 -10.5878 -10.5878 -10.5868 -10.5868 -0.4739 -0.4739 -0.4701 -0.4701 4.9762 4.9762 5.0274 5.0274 5.2707 5.2707 5.3708 5.3708 5.6482 5.6482 5.6941 5.6941 6.5631 6.5631 6.6693 6.6693 6.9529 6.9529 6.9872 6.9872 8.6563 8.6563 8.7040 8.7040 9.9974 9.9974 10.1194 10.1194 10.5620 10.5620 10.6165 10.6165 12.6866 12.6866 12.8205 12.8205 13.4834 13.4834 13.5215 13.5215 13.8953 13.8953 k = 0.0942 0.1632 0.3254 ( 4712 PWs) bands (ev): -29.6394 -29.6394 -29.6394 -29.6394 -10.9841 -10.9841 -10.9803 -10.9803 -10.6288 -10.6288 -10.6244 -10.6244 -10.5869 -10.5869 -10.5860 -10.5860 -0.4935 -0.4935 -0.4899 -0.4899 4.9836 4.9836 5.0276 5.0276 5.2774 5.2774 5.3648 5.3648 5.6414 5.6414 5.6850 5.6850 6.5634 6.5634 6.6681 6.6681 6.9473 6.9473 6.9757 6.9757 8.7294 8.7294 8.7784 8.7784 10.0381 10.0381 10.1526 10.1526 10.6263 10.6263 10.6766 10.6766 12.6294 12.6294 12.7525 12.7525 13.4899 13.4899 13.5314 13.5314 13.8781 13.8781 k = 0.0870 0.1506 0.3254 ( 4716 PWs) bands (ev): -29.6395 -29.6395 -29.6394 -29.6394 -10.9837 -10.9837 -10.9801 -10.9801 -10.6285 -10.6285 -10.6244 -10.6244 -10.5860 -10.5860 -10.5853 -10.5853 -0.5120 -0.5120 -0.5087 -0.5087 4.9905 4.9905 5.0275 5.0275 5.2848 5.2848 5.3597 5.3597 5.6346 5.6346 5.6758 5.6758 6.5643 6.5643 6.6665 6.6665 6.9416 6.9416 6.9647 6.9647 8.7980 8.7980 8.8478 8.8478 10.0810 10.0810 10.1862 10.1862 10.6928 10.6928 10.7386 10.7386 12.5680 12.5680 12.6808 12.6808 13.4974 13.4974 13.5430 13.5430 13.8590 13.8590 k = 0.0797 0.1381 0.3254 ( 4720 PWs) bands (ev): -29.6395 -29.6395 -29.6395 -29.6395 -10.9834 -10.9834 -10.9800 -10.9800 -10.6282 -10.6282 -10.6244 -10.6244 -10.5852 -10.5852 -10.5847 -10.5847 -0.5294 -0.5294 -0.5263 -0.5263 4.9969 4.9969 5.0270 5.0270 5.2929 5.2929 5.3557 5.3557 5.6279 5.6279 5.6668 5.6668 6.5659 6.5659 6.6645 6.6645 6.9360 6.9360 6.9544 6.9544 8.8613 8.8613 8.9114 8.9114 10.1271 10.1271 10.2221 10.2221 10.7603 10.7603 10.8014 10.8014 12.5024 12.5024 12.6054 12.6054 13.5063 13.5063 13.5557 13.5557 13.8381 13.8381 k = 0.0725 0.1255 0.3254 ( 4724 PWs) bands (ev): -29.6396 -29.6396 -29.6396 -29.6396 -10.9830 -10.9830 -10.9799 -10.9799 -10.6279 -10.6279 -10.6244 -10.6244 -10.5844 -10.5844 -10.5840 -10.5840 -0.5455 -0.5455 -0.5427 -0.5427 5.0025 5.0025 5.0263 5.0263 5.3014 5.3014 5.3528 5.3528 5.6213 5.6213 5.6578 5.6578 6.5680 6.5680 6.6621 6.6621 6.9305 6.9305 6.9447 6.9447 8.9188 8.9188 8.9684 8.9684 10.1767 10.1767 10.2613 10.2613 10.8279 10.8279 10.8644 10.8644 12.4326 12.4326 12.5262 12.5262 13.5167 13.5167 13.5689 13.5689 13.8162 13.8162 k = 0.0652 0.1130 0.3254 ( 4724 PWs) bands (ev): -29.6396 -29.6396 -29.6396 -29.6396 -10.9827 -10.9827 -10.9798 -10.9798 -10.6276 -10.6276 -10.6244 -10.6244 -10.5837 -10.5837 -10.5834 -10.5834 -0.5603 -0.5603 -0.5578 -0.5578 5.0074 5.0074 5.0255 5.0255 5.3100 5.3100 5.3510 5.3510 5.6150 5.6150 5.6490 5.6490 6.5708 6.5708 6.6592 6.6592 6.9252 6.9252 6.9359 6.9359 8.9701 8.9701 9.0183 9.0183 10.2297 10.2297 10.3042 10.3042 10.8950 10.8950 10.9272 10.9272 12.3586 12.3586 12.4430 12.4430 13.5285 13.5285 13.5825 13.5825 13.7939 13.7939 k = 0.0580 0.1004 0.3254 ( 4736 PWs) bands (ev): -29.6397 -29.6397 -29.6397 -29.6397 -10.9824 -10.9824 -10.9798 -10.9798 -10.6274 -10.6274 -10.6245 -10.6245 -10.5831 -10.5831 -10.5829 -10.5829 -0.5737 -0.5737 -0.5714 -0.5714 5.0115 5.0115 5.0247 5.0247 5.3185 5.3185 5.3503 5.3503 5.6090 5.6090 5.6404 5.6404 6.5741 6.5741 6.6559 6.6559 6.9201 6.9201 6.9278 6.9278 9.0149 9.0149 9.0608 9.0608 10.2854 10.2854 10.3503 10.3503 10.9615 10.9615 10.9898 10.9898 12.2807 12.2807 12.3562 12.3562 13.5414 13.5414 13.5958 13.5958 13.7724 13.7724 k = 0.0507 0.0879 0.3254 ( 4744 PWs) bands (ev): -29.6397 -29.6397 -29.6397 -29.6397 -10.9821 -10.9821 -10.9798 -10.9798 -10.6271 -10.6271 -10.6246 -10.6246 -10.5825 -10.5825 -10.5824 -10.5824 -0.5857 -0.5857 -0.5837 -0.5837 5.0148 5.0148 5.0238 5.0238 5.3267 5.3267 5.3506 5.3506 5.6035 5.6035 5.6320 5.6320 6.5780 6.5780 6.6522 6.6522 6.9153 6.9153 6.9206 6.9206 9.0536 9.0536 9.0962 9.0962 10.3424 10.3424 10.3986 10.3986 11.0276 11.0276 11.0525 11.0525 12.1994 12.1994 12.2661 12.2661 13.5549 13.5549 13.6082 13.6082 13.7527 13.7527 k = 0.0435 0.0753 0.3254 ( 4746 PWs) bands (ev): -29.6397 -29.6397 -29.6397 -29.6397 -10.9818 -10.9818 -10.9798 -10.9798 -10.6269 -10.6269 -10.6247 -10.6247 -10.5820 -10.5820 -10.5820 -10.5820 -0.5961 -0.5961 -0.5944 -0.5944 5.0173 5.0173 5.0231 5.0231 5.3344 5.3344 5.3517 5.3517 5.5985 5.5985 5.6241 5.6241 6.5824 6.5824 6.6480 6.6480 6.9109 6.9109 6.9144 6.9144 9.0863 9.0863 9.1247 9.1247 10.3990 10.3990 10.4473 10.4473 11.0938 11.0938 11.1158 11.1158 12.1151 12.1151 12.1732 12.1732 13.5682 13.5682 13.6184 13.6184 13.7364 13.7364 k = 0.0362 0.0628 0.3254 ( 4742 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9815 -10.9815 -10.9798 -10.9798 -10.6266 -10.6266 -10.6248 -10.6248 -10.5816 -10.5816 -10.5815 -10.5815 -0.6050 -0.6050 -0.6035 -0.6035 5.0191 5.0191 5.0225 5.0225 5.3413 5.3413 5.3533 5.3533 5.5944 5.5944 5.6165 5.6165 6.5873 6.5873 6.6433 6.6433 6.9071 6.9071 6.9091 6.9091 9.1135 9.1135 9.1468 9.1468 10.4532 10.4532 10.4941 10.4941 11.1611 11.1611 11.1801 11.1801 12.0288 12.0288 12.0784 12.0784 13.5804 13.5804 13.6248 13.6248 13.7251 13.7251 k = 0.0290 0.0502 0.3254 ( 4730 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9812 -10.9812 -10.9799 -10.9799 -10.6264 -10.6264 -10.6249 -10.6249 -10.5812 -10.5812 -10.5812 -10.5812 -0.6123 -0.6123 -0.6111 -0.6111 5.0203 5.0203 5.0221 5.0221 5.3473 5.3473 5.3553 5.3553 5.5912 5.5912 5.6096 5.6096 6.5925 6.5925 6.6384 6.6384 6.9037 6.9037 6.9048 6.9048 9.1357 9.1357 9.1632 9.1632 10.5026 10.5026 10.5363 10.5363 11.2303 11.2303 11.2458 11.2458 11.9418 11.9418 11.9829 11.9829 13.5904 13.5904 13.6264 13.6264 13.7197 13.7201 k = 0.0217 0.0377 0.3254 ( 4726 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9810 -10.9810 -10.9800 -10.9800 -10.6261 -10.6261 -10.6250 -10.6250 -10.5809 -10.5809 -10.5809 -10.5809 -0.6179 -0.6179 -0.6171 -0.6171 5.0210 5.0210 5.0218 5.0218 5.3521 5.3521 5.3572 5.3572 5.5892 5.5892 5.6034 5.6034 6.5981 6.5981 6.6330 6.6330 6.9010 6.9010 6.9015 6.9015 9.1532 9.1532 9.1743 9.1743 10.5449 10.5449 10.5711 10.5711 11.3017 11.3017 11.3130 11.3130 11.8558 11.8558 11.8883 11.8883 13.5977 13.5977 13.6237 13.6237 13.7191 13.7193 k = 0.0145 0.0251 0.3254 ( 4726 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9808 -10.9808 -10.9801 -10.9801 -10.6259 -10.6259 -10.6252 -10.6252 -10.5807 -10.5807 -10.5807 -10.5807 -0.6220 -0.6220 -0.6214 -0.6214 5.0214 5.0214 5.0216 5.0216 5.3558 5.3558 5.3588 5.3588 5.5883 5.5883 5.5981 5.5981 6.6038 6.6038 6.6274 6.6274 6.8990 6.8990 6.8991 6.8991 9.1665 9.1665 9.1808 9.1808 10.5783 10.5783 10.5962 10.5962 11.3738 11.3738 11.3801 11.3801 11.7743 11.7743 11.7979 11.7979 13.6026 13.6026 13.6190 13.6190 13.7210 13.7221 k = 0.0072 0.0126 0.3254 ( 4738 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9806 -10.9806 -10.9802 -10.9802 -10.6257 -10.6257 -10.6254 -10.6254 -10.5806 -10.5806 -10.5806 -10.5806 -0.6243 -0.6243 -0.6241 -0.6241 5.0216 5.0216 5.0216 5.0216 5.3582 5.3582 5.3596 5.3596 5.5888 5.5888 5.5938 5.5938 6.6097 6.6097 6.6216 6.6216 6.8977 6.8977 6.8977 6.8977 9.1759 9.1759 9.1831 9.1831 10.6009 10.6009 10.6100 10.6100 11.4391 11.4391 11.4407 11.4407 11.7060 11.7060 11.7195 11.7195 13.6063 13.6063 13.6141 13.6141 13.7224 13.7224 k = 0.0000 0.0000 0.3254 ( 4746 PWs) bands (ev): -29.6398 -29.6398 -29.6398 -29.6398 -10.9804 -10.9804 -10.9804 -10.9804 -10.6255 -10.6255 -10.6255 -10.6255 -10.5806 -10.5806 -10.5806 -10.5806 -0.6251 -0.6251 -0.6251 -0.6251 5.0216 5.0216 5.0216 5.0216 5.3594 5.3594 5.3594 5.3594 5.5907 5.5907 5.5907 5.5907 6.6157 6.6157 6.6157 6.6157 6.8973 6.8973 6.8973 6.8973 9.1814 9.1814 9.1814 9.1814 10.6116 10.6116 10.6116 10.6116 11.4708 11.4708 11.4708 11.4708 11.6783 11.6783 11.6783 11.6783 13.6099 13.6099 13.6099 13.6099 13.7228 13.7228 k = 0.5000 0.2887 0.3254 ( 4692 PWs) bands (ev): -29.6381 -29.6381 -29.6381 -29.6381 -10.9887 -10.9887 -10.9887 -10.9887 -10.6326 -10.6326 -10.6326 -10.6326 -10.6014 -10.6014 -10.6014 -10.6014 -0.0156 -0.0156 -0.0156 -0.0156 4.9150 4.9150 4.9150 4.9150 5.4706 5.4706 5.4706 5.4706 5.7032 5.7032 5.7032 5.7032 6.6168 6.6168 6.6168 6.6168 7.0840 7.0840 7.0840 7.0840 7.2632 7.2632 7.2632 7.2632 9.2430 9.2430 9.2430 9.2430 10.2708 10.2708 10.2708 10.2708 12.8523 12.8523 12.8523 12.8523 13.2809 13.2809 13.2809 13.2809 14.6835 14.6835 k = 0.5000 0.2887 0.3112 ( 4698 PWs) bands (ev): -29.6387 -29.6387 -29.6375 -29.6375 -10.9907 -10.9907 -10.9869 -10.9869 -10.6361 -10.6361 -10.6293 -10.6293 -10.6017 -10.6017 -10.6007 -10.6007 -0.0196 -0.0196 -0.0120 -0.0120 4.9028 4.9028 4.9284 4.9284 5.4666 5.4666 5.4753 5.4753 5.6956 5.6956 5.7115 5.7115 6.6146 6.6146 6.6194 6.6194 7.0769 7.0769 7.0912 7.0912 7.2558 7.2558 7.2707 7.2707 9.2278 9.2278 9.2573 9.2573 10.1974 10.1974 10.3380 10.3380 12.7814 12.7814 12.9153 12.9153 13.1946 13.1946 13.3827 13.3827 14.6619 14.6620 k = 0.5000 0.2887 0.2971 ( 4690 PWs) bands (ev): -29.6392 -29.6392 -29.6369 -29.6369 -10.9927 -10.9927 -10.9851 -10.9851 -10.6397 -10.6397 -10.6263 -10.6263 -10.6016 -10.6016 -10.5999 -10.5999 -0.0237 -0.0237 -0.0085 -0.0085 4.8917 4.8917 4.9429 4.9429 5.4631 5.4631 5.4806 5.4806 5.6887 5.6887 5.7206 5.7206 6.6126 6.6126 6.6223 6.6223 7.0699 7.0699 7.0984 7.0984 7.2484 7.2484 7.2782 7.2782 9.2118 9.2118 9.2707 9.2707 10.1192 10.1192 10.3978 10.3978 12.7089 12.7089 12.9483 12.9483 13.1484 13.1484 13.4915 13.4915 14.6405 14.6405 k = 0.5000 0.2887 0.2829 ( 4692 PWs) bands (ev): -29.6398 -29.6398 -29.6363 -29.6363 -10.9948 -10.9948 -10.9835 -10.9835 -10.6432 -10.6432 -10.6239 -10.6239 -10.6010 -10.6010 -10.5989 -10.5989 -0.0279 -0.0279 -0.0053 -0.0053 4.8820 4.8820 4.9582 4.9582 5.4604 5.4604 5.4865 5.4865 5.6823 5.6823 5.7305 5.7305 6.6109 6.6109 6.6257 6.6257 7.0632 7.0632 7.1057 7.1057 7.2411 7.2411 7.2856 7.2856 9.1948 9.1948 9.2830 9.2830 10.0372 10.0372 10.4487 10.4487 12.6368 12.6368 12.9229 12.9229 13.1722 13.1722 13.6024 13.6024 14.6208 14.6208 k = 0.5000 0.2887 0.2688 ( 4694 PWs) bands (ev): -29.6404 -29.6404 -29.6357 -29.6357 -10.9970 -10.9970 -10.9820 -10.9820 -10.6467 -10.6467 -10.6221 -10.6221 -10.5997 -10.5997 -10.5978 -10.5978 -0.0324 -0.0324 -0.0024 -0.0024 4.8735 4.8735 4.9742 4.9742 5.4583 5.4583 5.4929 5.4929 5.6765 5.6765 5.7413 5.7413 6.6094 6.6094 6.6295 6.6295 7.0567 7.0567 7.1127 7.1127 7.2340 7.2340 7.2931 7.2931 9.1768 9.1768 9.2942 9.2942 9.9528 9.9528 10.4897 10.4897 12.5661 12.5661 12.8697 12.8697 13.2367 13.2367 13.7113 13.7113 14.6047 14.6047 k = 0.5000 0.2887 0.2547 ( 4686 PWs) bands (ev): -29.6410 -29.6410 -29.6351 -29.6351 -10.9992 -10.9992 -10.9806 -10.9806 -10.6500 -10.6500 -10.6210 -10.6210 -10.5980 -10.5980 -10.5963 -10.5963 -0.0369 -0.0369 0.0003 0.0003 4.8662 4.8662 4.9908 4.9908 5.4569 5.4569 5.4998 5.4998 5.6711 5.6711 5.7530 5.7530 6.6080 6.6080 6.6339 6.6339 7.0505 7.0505 7.1194 7.1194 7.2273 7.2273 7.3005 7.3005 9.1579 9.1579 9.3042 9.3042 9.8672 9.8672 10.5196 10.5196 12.4976 12.4976 12.8175 12.8175 13.3139 13.3139 13.8134 13.8134 14.5942 14.5942 k = 0.5000 0.2887 0.2405 ( 4690 PWs) bands (ev): -29.6415 -29.6415 -29.6346 -29.6346 -11.0014 -11.0014 -10.9793 -10.9793 -10.6533 -10.6533 -10.6205 -10.6205 -10.5965 -10.5965 -10.5940 -10.5940 -0.0415 -0.0415 0.0027 0.0027 4.8602 4.8602 5.0076 5.0076 5.4562 5.4562 5.5072 5.5072 5.6662 5.6662 5.7657 5.7657 6.6066 6.6066 6.6388 6.6388 7.0447 7.0447 7.1254 7.1254 7.2214 7.2214 7.3078 7.3078 9.1376 9.1376 9.3127 9.3127 9.7817 9.7817 10.5379 10.5379 12.4322 12.4322 12.7744 12.7744 13.3955 13.3955 13.9034 13.9034 14.5897 14.5897 k = 0.5000 0.2887 0.2264 ( 4686 PWs) bands (ev): -29.6421 -29.6421 -29.6340 -29.6340 -11.0037 -11.0037 -10.9781 -10.9781 -10.6563 -10.6563 -10.6205 -10.6205 -10.5952 -10.5952 -10.5909 -10.5909 -0.0461 -0.0461 0.0048 0.0048 4.8553 4.8553 5.0245 5.0245 5.4562 5.4562 5.5150 5.5150 5.6617 5.6617 5.7794 5.7794 6.6054 6.6054 6.6444 6.6444 7.0391 7.0391 7.1303 7.1303 7.2165 7.2165 7.3151 7.3151 9.1158 9.1158 9.3195 9.3195 9.6977 9.6977 10.5442 10.5442 12.3705 12.3705 12.7426 12.7426 13.4788 13.4788 13.9759 13.9759 14.5884 14.5884 k = 0.5000 0.2887 0.2122 ( 4698 PWs) bands (ev): -29.6426 -29.6426 -29.6335 -29.6335 -11.0060 -11.0060 -10.9770 -10.9770 -10.6593 -10.6593 -10.6208 -10.6208 -10.5942 -10.5942 -10.5875 -10.5875 -0.0508 -0.0508 0.0067 0.0067 4.8514 4.8514 5.0411 5.0411 5.4569 5.4569 5.5232 5.5232 5.6576 5.6576 5.7942 5.7942 6.6041 6.6041 6.6505 6.6505 7.0339 7.0339 7.1334 7.1334 7.2135 7.2135 7.3223 7.3223 9.0919 9.0919 9.3240 9.3240 9.6172 9.6172 10.5391 10.5391 12.3130 12.3130 12.7225 12.7225 13.5620 13.5620 14.0276 14.0276 14.5852 14.5852 k = 0.5000 0.2887 0.1981 ( 4696 PWs) bands (ev): -29.6431 -29.6431 -29.6330 -29.6330 -11.0083 -11.0083 -10.9760 -10.9760 -10.6620 -10.6620 -10.6213 -10.6213 -10.5931 -10.5931 -10.5839 -10.5839 -0.0553 -0.0553 0.0083 0.0083 4.8485 4.8485 5.0573 5.0573 5.4583 5.4583 5.5317 5.5317 5.6539 5.6539 5.8100 5.8100 6.6027 6.6027 6.6574 6.6574 7.0290 7.0290 7.1340 7.1340 7.2129 7.2129 7.3294 7.3294 9.0652 9.0652 9.3252 9.3252 9.5426 9.5426 10.5234 10.5234 12.2599 12.2599 12.7137 12.7137 13.6438 13.6438 14.0597 14.0597 14.5788 14.5788 k = 0.5000 0.2887 0.1839 ( 4700 PWs) bands (ev): -29.6436 -29.6436 -29.6325 -29.6325 -11.0104 -11.0104 -10.9751 -10.9751 -10.6645 -10.6645 -10.6219 -10.6219 -10.5921 -10.5921 -10.5803 -10.5803 -0.0598 -0.0598 0.0097 0.0097 4.8464 4.8464 5.0728 5.0728 5.4603 5.4603 5.5405 5.5405 5.6505 5.6505 5.8268 5.8268 6.6012 6.6012 6.6648 6.6648 7.0245 7.0245 7.1318 7.1318 7.2151 7.2151 7.3363 7.3363 9.0348 9.0348 9.3209 9.3209 9.4779 9.4779 10.4987 10.4987 12.2111 12.2111 12.7151 12.7151 13.7228 13.7228 14.0770 14.0770 14.5705 14.5705 k = 0.5000 0.2887 0.1698 ( 4698 PWs) bands (ev): -29.6440 -29.6440 -29.6321 -29.6321 -11.0126 -11.0126 -10.9744 -10.9744 -10.6668 -10.6668 -10.6226 -10.6226 -10.5911 -10.5911 -10.5768 -10.5768 -0.0642 -0.0642 0.0108 0.0108 4.8451 4.8451 5.0873 5.0873 5.4629 5.4629 5.5493 5.5493 5.6475 5.6475 5.8445 5.8445 6.5997 6.5997 6.6729 6.6729 7.0204 7.0204 7.1271 7.1271 7.2201 7.2201 7.3430 7.3430 8.9997 8.9997 9.3065 9.3065 9.4293 9.4293 10.4667 10.4667 12.1666 12.1666 12.7254 12.7254 13.7968 13.7968 14.0860 14.0860 14.5618 14.5618 k = 0.5000 0.2887 0.1556 ( 4690 PWs) bands (ev): -29.6445 -29.6445 -29.6316 -29.6316 -11.0146 -11.0146 -10.9736 -10.9736 -10.6689 -10.6689 -10.6232 -10.6232 -10.5902 -10.5902 -10.5733 -10.5733 -0.0684 -0.0684 0.0119 0.0119 4.8444 4.8444 5.1008 5.1008 5.4659 5.4659 5.5581 5.5581 5.6449 5.6449 5.8629 5.8629 6.5979 6.5979 6.6816 6.6816 7.0166 7.0166 7.1202 7.1202 7.2272 7.2272 7.3495 7.3495 8.9593 8.9593 9.2796 9.2796 9.4008 9.4008 10.4296 10.4296 12.1262 12.1262 12.7428 12.7428 13.8622 13.8622 14.0939 14.0939 14.5533 14.5533 k = 0.5000 0.2887 0.1415 ( 4688 PWs) bands (ev): -29.6448 -29.6448 -29.6313 -29.6313 -11.0166 -11.0166 -10.9730 -10.9730 -10.6709 -10.6709 -10.6238 -10.6238 -10.5894 -10.5894 -10.5700 -10.5700 -0.0723 -0.0723 0.0127 0.0127 4.8442 4.8442 5.1131 5.1131 5.4693 5.4693 5.5666 5.5666 5.6427 5.6427 5.8819 5.8819 6.5961 6.5961 6.6907 6.6907 7.0133 7.0133 7.1119 7.1119 7.2359 7.2359 7.3555 7.3555 8.9135 8.9135 9.2465 9.2465 9.3870 9.3870 10.3894 10.3894 12.0896 12.0896 12.7656 12.7656 13.9131 13.9131 14.1091 14.1091 14.5455 14.5455 k = 0.5000 0.2887 0.1273 ( 4684 PWs) bands (ev): -29.6452 -29.6452 -29.6309 -29.6309 -11.0185 -11.0185 -10.9724 -10.9724 -10.6726 -10.6726 -10.6245 -10.6245 -10.5886 -10.5886 -10.5668 -10.5668 -0.0760 -0.0760 0.0133 0.0133 4.8443 4.8443 5.1240 5.1240 5.4729 5.4729 5.5747 5.5747 5.6410 5.6410 5.9011 5.9011 6.5940 6.5940 6.7002 6.7002 7.0103 7.0103 7.1026 7.1026 7.2458 7.2458 7.3612 7.3612 8.8637 8.8637 9.2149 9.2149 9.3796 9.3796 10.3479 10.3479 12.0568 12.0568 12.7921 12.7921 13.9436 13.9436 14.1386 14.1386 14.5385 14.5385 k = 0.5000 0.2887 0.1132 ( 4688 PWs) bands (ev): -29.6455 -29.6455 -29.6306 -29.6306 -11.0202 -11.0202 -10.9720 -10.9720 -10.6742 -10.6742 -10.6251 -10.6251 -10.5879 -10.5879 -10.5640 -10.5640 -0.0795 -0.0795 0.0138 0.0138 4.8447 4.8447 5.1337 5.1337 5.4767 5.4767 5.5821 5.5821 5.6399 5.6399 5.9203 5.9203 6.5919 6.5919 6.7100 6.7100 7.0078 7.0078 7.0926 7.0926 7.2565 7.2565 7.3662 7.3662 8.8118 8.8118 9.1879 9.1879 9.3744 9.3744 10.3069 10.3069 12.0277 12.0277 12.8206 12.8206 13.9556 13.9556 14.1813 14.1813 14.5327 14.5327 k = 0.5000 0.2887 0.0990 ( 4690 PWs) bands (ev): -29.6458 -29.6458 -29.6303 -29.6303 -11.0217 -11.0217 -10.9716 -10.9716 -10.6756 -10.6756 -10.6256 -10.6256 -10.5873 -10.5873 -10.5615 -10.5615 -0.0826 -0.0826 0.0141 0.0141 4.8453 4.8453 5.1420 5.1420 5.4803 5.4803 5.5886 5.5886 5.6394 5.6394 5.9389 5.9389 6.5897 6.5897 6.7197 6.7197 7.0056 7.0056 7.0824 7.0824 7.2676 7.2676 7.3707 7.3707 8.7601 8.7601 9.1658 9.1658 9.3700 9.3700 10.2680 10.2680 12.0021 12.0021 12.8496 12.8496 13.9567 13.9567 14.2295 14.2295 14.5282 14.5282 k = 0.5000 0.2887 0.0849 ( 4690 PWs) bands (ev): -29.6461 -29.6461 -29.6300 -29.6300 -11.0231 -11.0231 -10.9712 -10.9712 -10.6767 -10.6767 -10.6261 -10.6261 -10.5867 -10.5867 -10.5592 -10.5592 -0.0853 -0.0853 0.0144 0.0144 4.8460 4.8460 5.1491 5.1491 5.4838 5.4838 5.5938 5.5938 5.6397 5.6397 5.9566 5.9566 6.5874 6.5874 6.7292 6.7292 7.0038 7.0038 7.0723 7.0723 7.2788 7.2788 7.3744 7.3744 8.7109 8.7109 9.1480 9.1480 9.3658 9.3658 10.2323 10.2323 11.9800 11.9800 12.8776 12.8776 13.9529 13.9529 14.2768 14.2768 14.5253 14.5253 k = 0.5000 0.2887 0.0707 ( 4694 PWs) bands (ev): -29.6463 -29.6463 -29.6298 -29.6298 -11.0244 -11.0244 -10.9709 -10.9709 -10.6777 -10.6777 -10.6265 -10.6265 -10.5863 -10.5863 -10.5572 -10.5572 -0.0877 -0.0877 0.0146 0.0146 4.8467 4.8467 5.1550 5.1550 5.4870 5.4870 5.5978 5.5978 5.6407 5.6407 5.9728 5.9728 6.5852 6.5852 6.7381 6.7381 7.0024 7.0024 7.0627 7.0627 7.2898 7.2898 7.3773 7.3773 8.6661 8.6661 9.1339 9.1339 9.3616 9.3616 10.2008 10.2008 11.9614 11.9614 12.9036 12.9036 13.9474 13.9474 14.3196 14.3196 14.5243 14.5243 k = 0.5000 0.2887 0.0566 ( 4690 PWs) bands (ev): -29.6465 -29.6465 -29.6296 -29.6296 -11.0254 -11.0254 -10.9707 -10.9707 -10.6785 -10.6785 -10.6268 -10.6268 -10.5859 -10.5859 -10.5556 -10.5556 -0.0897 -0.0897 0.0148 0.0148 4.8474 4.8474 5.1596 5.1596 5.4898 5.4898 5.6005 5.6005 5.6422 5.6422 5.9870 5.9870 6.5832 6.5832 6.7462 6.7462 7.0013 7.0013 7.0538 7.0538 7.3000 7.3000 7.3793 7.3793 8.6271 8.6271 9.1230 9.1230 9.3577 9.3577 10.1743 10.1743 11.9462 11.9462 12.9263 12.9263 13.9419 13.9419 14.3553 14.3553 14.5254 14.5254 k = 0.5000 0.2887 0.0424 ( 4694 PWs) bands (ev): -29.6466 -29.6466 -29.6295 -29.6295 -11.0261 -11.0261 -10.9705 -10.9705 -10.6792 -10.6792 -10.6271 -10.6271 -10.5855 -10.5855 -10.5543 -10.5543 -0.0912 -0.0912 0.0148 0.0148 4.8480 4.8480 5.1632 5.1632 5.4921 5.4921 5.6022 5.6022 5.6439 5.6439 5.9987 5.9987 6.5815 6.5815 6.7531 6.7531 7.0007 7.0007 7.0462 7.0462 7.3090 7.3090 7.3805 7.3805 8.5954 8.5954 9.1148 9.1148 9.3542 9.3542 10.1533 10.1533 11.9344 11.9344 12.9449 12.9449 13.9370 13.9370 14.3826 14.3826 14.5285 14.5285 k = 0.5000 0.2887 0.0283 ( 4694 PWs) bands (ev): -29.6467 -29.6467 -29.6294 -29.6294 -11.0267 -11.0267 -10.9704 -10.9704 -10.6796 -10.6796 -10.6273 -10.6273 -10.5853 -10.5853 -10.5533 -10.5533 -0.0924 -0.0924 0.0149 0.0149 4.8484 4.8484 5.1657 5.1657 5.4938 5.4938 5.6033 5.6033 5.6454 5.6454 6.0074 6.0074 6.5801 6.5801 6.7583 6.7583 7.0003 7.0003 7.0403 7.0403 7.3161 7.3161 7.3811 7.3811 8.5720 8.5720 9.1091 9.1091 9.3515 9.3515 10.1381 10.1381 11.9260 11.9260 12.9587 12.9587 13.9333 13.9333 14.4010 14.4010 14.5328 14.5328 k = 0.5000 0.2887 0.0141 ( 4694 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0271 -11.0271 -10.9703 -10.9703 -10.6799 -10.6799 -10.6274 -10.6274 -10.5852 -10.5852 -10.5528 -10.5528 -0.0930 -0.0930 0.0149 0.0149 4.8487 4.8487 5.1672 5.1672 5.4948 5.4948 5.6038 5.6038 5.6464 5.6464 6.0128 6.0128 6.5793 6.5793 6.7616 6.7616 7.0002 7.0002 7.0365 7.0365 7.3207 7.3207 7.3813 7.3813 8.5576 8.5576 9.1058 9.1058 9.3498 9.3498 10.1288 10.1288 11.9210 11.9210 12.9672 12.9672 13.9310 13.9310 14.4114 14.4114 14.5365 14.5365 k = 0.5000 0.2887-0.0000 ( 4690 PWs) bands (ev): -29.6468 -29.6468 -29.6293 -29.6293 -11.0272 -11.0272 -10.9703 -10.9703 -10.6799 -10.6799 -10.6275 -10.6275 -10.5851 -10.5851 -10.5526 -10.5526 -0.0933 -0.0933 0.0150 0.0150 4.8488 4.8488 5.1677 5.1677 5.4952 5.4952 5.6039 5.6039 5.6467 5.6467 6.0146 6.0146 6.5790 6.5790 6.7627 6.7627 7.0002 7.0002 7.0352 7.0352 7.3224 7.3224 7.3813 7.3813 8.5528 8.5528 9.1047 9.1047 9.3492 9.3492 10.1258 10.1258 11.9193 11.9193 12.9701 12.9701 13.9303 13.9303 14.4147 14.4147 14.5380 14.5380 k = 0.3333 0.5774-0.0000 ( 4704 PWs) bands (ev): -29.6466 -29.6466 -29.6291 -29.6291 -11.0269 -11.0269 -10.9715 -10.9715 -10.6791 -10.6791 -10.6315 -10.6314 -10.5881 -10.5879 -10.5549 -10.5549 0.0114 0.0427 0.0479 0.0479 5.0611 5.2664 5.2847 5.2847 5.5108 5.5108 5.6794 5.6833 5.6833 5.7169 6.0152 6.0152 6.1294 6.1294 6.7024 6.8176 6.8176 7.0149 7.0149 7.1457 7.1457 7.1458 7.4097 7.5253 7.5253 7.6502 9.0454 9.0454 9.3655 9.3816 9.8022 9.8022 13.0664 13.4623 13.4623 13.4886 13.6984 13.6984 14.3632 14.5232 14.5232 14.6123 k = 0.3333 0.5774 0.0141 ( 4713 PWs) bands (ev): -29.6465 -29.6465 -29.6291 -29.6291 -11.0268 -11.0268 -10.9715 -10.9715 -10.6790 -10.6790 -10.6315 -10.6314 -10.5881 -10.5880 -10.5551 -10.5551 0.0115 0.0427 0.0479 0.0479 5.0608 5.2656 5.2848 5.2848 5.5104 5.5104 5.6784 5.6825 5.6825 5.7159 6.0133 6.0133 6.1305 6.1305 6.7031 6.8179 6.8179 7.0148 7.0148 7.1448 7.1461 7.1461 7.4104 7.5268 7.5268 7.6496 9.0451 9.0451 9.3694 9.3854 9.8037 9.8037 13.0664 13.4641 13.4641 13.4881 13.6971 13.6971 14.3619 14.5245 14.5245 14.6119 k = 0.3333 0.5774 0.0283 ( 4707 PWs) bands (ev): -29.6465 -29.6465 -29.6292 -29.6292 -11.0264 -11.0264 -10.9716 -10.9716 -10.6787 -10.6787 -10.6314 -10.6313 -10.5883 -10.5882 -10.5556 -10.5556 0.0119 0.0429 0.0483 0.0483 5.0600 5.2633 5.2850 5.2850 5.5093 5.5093 5.6754 5.6800 5.6800 5.7129 6.0078 6.0078 6.1334 6.1334 6.7054 6.8189 6.8189 7.0144 7.0144 7.1419 7.1474 7.1474 7.4124 7.5312 7.5312 7.6479 9.0442 9.0442 9.3810 9.3966 9.8085 9.8085 13.0664 13.4695 13.4695 13.4866 13.6931 13.6931 14.3581 14.5282 14.5282 14.6108 k = 0.3333 0.5774 0.0424 ( 4701 PWs) bands (ev): -29.6464 -29.6464 -29.6293 -29.6293 -11.0259 -11.0259 -10.9717 -10.9717 -10.6783 -10.6783 -10.6311 -10.6310 -10.5885 -10.5884 -10.5565 -10.5565 0.0126 0.0433 0.0488 0.0488 5.0587 5.2594 5.2852 5.2852 5.5074 5.5074 5.6706 5.6759 5.6759 5.7081 5.9994 5.9994 6.1377 6.1377 6.7091 6.8205 6.8205 7.0138 7.0138 7.1371 7.1494 7.1494 7.4157 7.5385 7.5385 7.6451 9.0422 9.0422 9.4001 9.4150 9.8168 9.8168 13.0664 13.4784 13.4784 13.4839 13.6865 13.6865 14.3519 14.5337 14.5337 14.6097 k = 0.3333 0.5774 0.0566 ( 4704 PWs) bands (ev): -29.6462 -29.6462 -29.6294 -29.6294 -11.0251 -11.0251 -10.9719 -10.9719 -10.6777 -10.6777 -10.6308 -10.6307 -10.5888 -10.5887 -10.5579 -10.5579 0.0136 0.0438 0.0495 0.0495 5.0569 5.2540 5.2856 5.2856 5.5045 5.5045 5.6641 5.6704 5.6704 5.7015 5.9888 5.9888 6.1428 6.1428 6.7142 6.8226 6.8226 7.0128 7.0128 7.1308 7.1523 7.1523 7.4199 7.5488 7.5488 7.6413 9.0384 9.0384 9.4263 9.4405 9.8293 9.8293 13.0663 13.4800 13.4907 13.4907 13.6771 13.6771 14.3434 14.5403 14.5403 14.6093 k = 0.3333 0.5774 0.0707 ( 4704 PWs) bands (ev): -29.6460 -29.6460 -29.6296 -29.6296 -11.0242 -11.0242 -10.9721 -10.9721 -10.6768 -10.6768 -10.6304 -10.6303 -10.5892 -10.5891 -10.5596 -10.5596 0.0148 0.0444 0.0505 0.0505 5.0546 5.2470 5.2861 5.2861 5.5008 5.5008 5.6563 5.6637 5.6637 5.6935 5.9767 5.9767 6.1484 6.1484 6.7205 6.8252 6.8252 7.0114 7.0114 7.1232 7.1561 7.1561 7.4250 7.5619 7.5619 7.6366 9.0320 9.0320 9.4593 9.4725 9.8467 9.8467 13.0661 13.4746 13.5061 13.5061 13.6649 13.6649 14.3329 14.5466 14.5466 14.6108 k = 0.3333 0.5774 0.0849 ( 4704 PWs) bands (ev): -29.6458 -29.6458 -29.6298 -29.6298 -11.0230 -11.0230 -10.9723 -10.9723 -10.6758 -10.6758 -10.6299 -10.6298 -10.5898 -10.5897 -10.5616 -10.5616 0.0163 0.0451 0.0515 0.0515 5.0519 5.2386 5.2866 5.2866 5.4960 5.4960 5.6475 5.6561 5.6561 5.6841 5.9638 5.9638 6.1539 6.1539 6.7279 6.8281 6.8281 7.0096 7.0096 7.1145 7.1605 7.1605 7.4306 7.5781 7.5781 7.6313 9.0221 9.0221 9.4984 9.5106 9.8694 9.8694 13.0656 13.4676 13.5242 13.5242 13.6502 13.6502 14.3208 14.5514 14.5514 14.6043 k = 0.3333 0.5774 0.0990 ( 4704 PWs) bands (ev): -29.6456 -29.6456 -29.6301 -29.6301 -11.0217 -11.0217 -10.9726 -10.9726 -10.6746 -10.6746 -10.6293 -10.6292 -10.5904 -10.5902 -10.5639 -10.5639 0.0179 0.0458 0.0528 0.0528 5.0487 5.2287 5.2871 5.2871 5.4901 5.4901 5.6380 5.6478 5.6478 5.6738 5.9505 5.9505 6.1594 6.1594 6.7363 6.8312 6.8312 7.0074 7.0074 7.1049 7.1656 7.1656 7.4366 7.5971 7.5971 7.6254 9.0080 9.0080 9.5430 9.5542 9.8980 9.8980 13.0648 13.4586 13.5432 13.5432 13.6344 13.6344 14.3073 14.5543 14.5543 14.5853 k = 0.3333 0.5774 0.1132 ( 4701 PWs) bands (ev): -29.6453 -29.6453 -29.6304 -29.6304 -11.0202 -11.0202 -10.9730 -10.9730 -10.6732 -10.6732 -10.6286 -10.6285 -10.5910 -10.5909 -10.5666 -10.5666 0.0198 0.0467 0.0541 0.0541 5.0452 5.2175 5.2876 5.2876 5.4831 5.4831 5.6281 5.6392 5.6392 5.6627 5.9372 5.9372 6.1647 6.1647 6.7455 6.8344 6.8344 7.0048 7.0048 7.0947 7.1712 7.1712 7.4427 7.6190 7.6191 7.6191 8.9893 8.9893 9.5924 9.6026 9.9327 9.9327 13.0636 13.4473 13.5571 13.5571 13.6234 13.6234 14.2931 14.5559 14.5559 14.5644 k = 0.3333 0.5774 0.1273 ( 4719 PWs) bands (ev): -29.6450 -29.6450 -29.6307 -29.6307 -11.0186 -11.0186 -10.9735 -10.9735 -10.6716 -10.6716 -10.6279 -10.6278 -10.5918 -10.5917 -10.5697 -10.5697 0.0218 0.0475 0.0555 0.0555 5.0413 5.2050 5.2881 5.2881 5.4748 5.4748 5.6181 5.6308 5.6308 5.6512 5.9242 5.9242 6.1697 6.1697 6.7554 6.8377 6.8377 7.0018 7.0018 7.0840 7.1770 7.1770 7.4490 7.6124 7.6440 7.6440 8.9657 8.9657 9.6458 9.6552 9.9731 9.9731 13.0619 13.4336 13.5518 13.5518 13.6310 13.6310 14.2784 14.5418 14.5571 14.5571 k = 0.3333 0.5774 0.1415 ( 4728 PWs) bands (ev): -29.6446 -29.6446 -29.6311 -29.6311 -11.0168 -11.0168 -10.9740 -10.9740 -10.6698 -10.6698 -10.6272 -10.6271 -10.5926 -10.5925 -10.5730 -10.5730 0.0239 0.0483 0.0570 0.0570 5.0373 5.1915 5.2884 5.2884 5.4654 5.4654 5.6083 5.6226 5.6226 5.6395 5.9116 5.9116 6.1744 6.1744 6.7658 6.8410 6.8410 6.9987 6.9987 7.0730 7.1830 7.1830 7.4552 7.6057 7.6717 7.6717 8.9374 8.9374 9.7023 9.7110 10.0190 10.0190 13.0595 13.4170 13.5282 13.5282 13.6563 13.6563 14.2640 14.5179 14.5590 14.5590 k = 0.3333 0.5774 0.1556 ( 4722 PWs) bands (ev): -29.6442 -29.6442 -29.6315 -29.6315 -11.0149 -11.0149 -10.9746 -10.9746 -10.6678 -10.6678 -10.6263 -10.6262 -10.5934 -10.5933 -10.5765 -10.5765 0.0261 0.0492 0.0586 0.0586 5.0332 5.1772 5.2885 5.2885 5.4552 5.4552 5.5989 5.6151 5.6151 5.6279 5.8997 5.8997 6.1787 6.1787 6.7767 6.8443 6.8443 6.9953 6.9953 7.0617 7.1890 7.1890 7.4614 7.5988 7.7022 7.7022 8.9045 8.9045 9.7612 9.7692 10.0694 10.0694 13.0566 13.3976 13.4964 13.4964 13.6896 13.6896 14.2503 14.4931 14.5619 14.5619 k = 0.3333 0.5774 0.1698 ( 4734 PWs) bands (ev): -29.6438 -29.6438 -29.6319 -29.6319 -11.0129 -11.0129 -10.9753 -10.9753 -10.6656 -10.6656 -10.6254 -10.6253 -10.5944 -10.5943 -10.5802 -10.5802 0.0284 0.0500 0.0602 0.0602 5.0290 5.1622 5.2884 5.2884 5.4443 5.4443 5.5901 5.6082 5.6082 5.6166 5.8887 5.8887 6.1828 6.1828 6.7880 6.8474 6.8474 6.9919 6.9919 7.0502 7.1947 7.1947 7.4674 7.5920 7.7353 7.7353 8.8675 8.8675 9.8213 9.8288 10.1235 10.1235 13.0530 13.3751 13.4598 13.4598 13.7274 13.7274 14.2378 14.4677 14.5659 14.5659 k = 0.3333 0.5774 0.1839 ( 4719 PWs) bands (ev): -29.6433 -29.6433 -29.6324 -29.6324 -11.0109 -11.0109 -10.9759 -10.9759 -10.6632 -10.6632 -10.6243 -10.6242 -10.5954 -10.5953 -10.5840 -10.5840 0.0308 0.0508 0.0618 0.0618 5.0250 5.1469 5.2879 5.2879 5.4332 5.4332 5.5819 5.6021 5.6021 5.6059 5.8784 5.8784 6.1865 6.1865 6.7995 6.8504 6.8504 6.9885 6.9885 7.0387 7.2002 7.2002 7.4733 7.5853 7.7709 7.7709 8.8270 8.8270 9.8818 9.8888 10.1801 10.1801 13.0489 13.3497 13.4202 13.4202 13.7687 13.7687 14.2271 14.4421 14.5709 14.5709 k = 0.3333 0.5774 0.1981 ( 4716 PWs) bands (ev): -29.6429 -29.6429 -29.6328 -29.6328 -11.0088 -11.0088 -10.9767 -10.9767 -10.6606 -10.6606 -10.6233 -10.6232 -10.5964 -10.5963 -10.5881 -10.5881 0.0332 0.0515 0.0634 0.0634 5.0213 5.1314 5.2871 5.2871 5.4223 5.4223 5.5745 5.5957 5.5968 5.5968 5.8691 5.8691 6.1898 6.1898 6.8112 6.8532 6.8532 6.9852 6.9852 7.0270 7.2052 7.2052 7.4790 7.5787 7.8089 7.8089 8.7834 8.7834 9.9416 9.9482 10.2379 10.2379 13.0445 13.3216 13.3785 13.3785 13.8127 13.8127 14.2183 14.4167 14.5757 14.5757 k = 0.3333 0.5774 0.2122 ( 4704 PWs) bands (ev): -29.6424 -29.6424 -29.6333 -29.6333 -11.0066 -11.0066 -10.9776 -10.9776 -10.6577 -10.6577 -10.6222 -10.6221 -10.5974 -10.5973 -10.5923 -10.5923 0.0356 0.0521 0.0649 0.0649 5.0180 5.1162 5.2857 5.2857 5.4120 5.4120 5.5679 5.5864 5.5922 5.5922 5.8608 5.8608 6.1928 6.1928 6.8231 6.8558 6.8558 6.9820 6.9820 7.0153 7.2098 7.2098 7.4846 7.5722 7.8488 7.8488 8.7374 8.7374 9.9996 10.0058 10.2957 10.2957 13.0399 13.2913 13.3359 13.3359 13.8591 13.8591 14.2118 14.3918 14.5779 14.5779 k = 0.3333 0.5774 0.2264 ( 4710 PWs) bands (ev): -29.6419 -29.6419 -29.6338 -29.6338 -11.0045 -11.0045 -10.9786 -10.9786 -10.6547 -10.6547 -10.6212 -10.6211 -10.5985 -10.5984 -10.5967 -10.5967 0.0379 0.0525 0.0662 0.0662 5.0153 5.1013 5.2839 5.2839 5.4027 5.4027 5.5622 5.5780 5.5883 5.5883 5.8534 5.8534 6.1955 6.1955 6.8351 6.8582 6.8582 6.9791 6.9791 7.0035 7.2139 7.2139 7.4900 7.5659 7.8904 7.8904 8.6898 8.6898 10.0547 10.0605 10.3518 10.3518 13.0357 13.2593 13.2934 13.2934 13.9077 13.9077 14.2075 14.3678 14.5720 14.5720 k = 0.3333 0.5774 0.2405 ( 4704 PWs) bands (ev): -29.6413 -29.6413 -29.6344 -29.6344 -11.0024 -11.0024 -10.9797 -10.9797 -10.6514 -10.6514 -10.6201 -10.6200 -10.6011 -10.6011 -10.5996 -10.5995 0.0401 0.0528 0.0675 0.0675 5.0134 5.0871 5.2817 5.2817 5.3946 5.3946 5.5573 5.5705 5.5849 5.5849 5.8470 5.8470 6.1978 6.1978 6.8472 6.8603 6.8603 6.9764 6.9764 6.9917 7.2175 7.2175 7.4954 7.5598 7.9333 7.9333 8.6411 8.6411 10.1056 10.1110 10.4049 10.4049 13.0323 13.2266 13.2525 13.2525 13.9579 13.9579 14.2057 14.3449 14.5538 14.5538 k = 0.3333 0.5774 0.2547 ( 4710 PWs) bands (ev): -29.6408 -29.6408 -29.6349 -29.6349 -11.0004 -11.0004 -10.9808 -10.9808 -10.6480 -10.6480 -10.6191 -10.6190 -10.6055 -10.6055 -10.6006 -10.6005 0.0422 0.0529 0.0686 0.0686 5.0124 5.0738 5.2792 5.2792 5.3880 5.3880 5.5533 5.5640 5.5822 5.5822 5.8415 5.8415 6.1998 6.1998 6.8593 6.8621 6.8621 6.9741 6.9741 6.9798 7.2205 7.2205 7.5006 7.5539 7.9767 7.9767 8.5923 8.5923 10.1514 10.1562 10.4534 10.4534 13.0303 13.1940 13.2146 13.2146 14.0094 14.0094 14.2063 14.3233 14.5250 14.5250 k = 0.3333 0.5774 0.2688 ( 4713 PWs) bands (ev): -29.6402 -29.6402 -29.6355 -29.6355 -10.9984 -10.9984 -10.9820 -10.9820 -10.6444 -10.6444 -10.6181 -10.6180 -10.6100 -10.6100 -10.6016 -10.6015 0.0442 0.0528 0.0695 0.0695 5.0125 5.0615 5.2766 5.2766 5.3827 5.3827 5.5502 5.5585 5.5800 5.5800 5.8371 5.8371 6.2014 6.2014 6.8636 6.8636 6.8715 6.9679 6.9721 6.9721 7.2230 7.2230 7.5058 7.5481 8.0198 8.0198 8.5446 8.5446 10.1908 10.1949 10.4958 10.4958 13.0304 13.1625 13.1810 13.1810 14.0614 14.0614 14.2091 14.3034 14.4895 14.4895 k = 0.3333 0.5774 0.2829 ( 4719 PWs) bands (ev): -29.6396 -29.6396 -29.6361 -29.6361 -10.9966 -10.9966 -10.9832 -10.9832 -10.6407 -10.6407 -10.6173 -10.6172 -10.6145 -10.6145 -10.6024 -10.6024 0.0460 0.0524 0.0702 0.0702 5.0137 5.0505 5.2742 5.2742 5.3788 5.3788 5.5479 5.5541 5.5782 5.5782 5.8336 5.8336 6.2027 6.2027 6.8648 6.8648 6.8836 6.9560 6.9706 6.9706 7.2249 7.2249 7.5110 7.5425 8.0609 8.0609 8.4998 8.4998 10.2229 10.2261 10.5305 10.5305 13.0334 13.1330 13.1531 13.1531 14.1132 14.1132 14.2140 14.2851 14.4495 14.4495 k = 0.3333 0.5774 0.2971 ( 4689 PWs) bands (ev): -29.6390 -29.6390 -29.6366 -29.6366 -10.9949 -10.9949 -10.9842 -10.9842 -10.6369 -10.6369 -10.6187 -10.6187 -10.6165 -10.6164 -10.6031 -10.6030 0.0476 0.0520 0.0709 0.0709 5.0163 5.0408 5.2723 5.2723 5.3762 5.3762 5.5466 5.5507 5.5770 5.5770 5.8312 5.8312 6.2036 6.2036 6.8657 6.8657 6.8957 6.9440 6.9694 6.9694 7.2263 7.2263 7.5161 7.5370 8.0970 8.0970 8.4609 8.4609 10.2467 10.2489 10.5564 10.5564 13.0398 13.1065 13.1321 13.1321 14.1628 14.1628 14.2211 14.2686 14.4079 14.4079 k = 0.3333 0.5774 0.3112 ( 4683 PWs) bands (ev): -29.6384 -29.6384 -29.6372 -29.6372 -10.9938 -10.9938 -10.9851 -10.9851 -10.6332 -10.6332 -10.6227 -10.6227 -10.6160 -10.6160 -10.6035 -10.6035 0.0491 0.0512 0.0712 0.0712 5.0202 5.0325 5.2711 5.2711 5.3747 5.3747 5.5462 5.5482 5.5763 5.5763 5.8297 5.8297 6.2041 6.2041 6.8662 6.8662 6.9079 6.9320 6.9687 6.9687 7.2271 7.2271 7.5212 7.5317 8.1235 8.1235 8.4328 8.4328 10.2615 10.2627 10.5724 10.5724 13.0501 13.0836 13.1191 13.1191 14.2056 14.2056 14.2301 14.2539 14.3698 14.3698 k = 0.3333 0.5774 0.3254 ( 4692 PWs) bands (ev): -29.6379 -29.6379 -29.6378 -29.6378 -10.9933 -10.9933 -10.9855 -10.9855 -10.6310 -10.6310 -10.6250 -10.6250 -10.6159 -10.6159 -10.6037 -10.6037 0.0502 0.0502 0.0713 0.0713 5.0256 5.0256 5.2706 5.2706 5.3742 5.3742 5.5467 5.5467 5.5761 5.5761 5.8292 5.8292 6.2043 6.2043 6.8664 6.8664 6.9199 6.9199 6.9685 6.9685 7.2274 7.2274 7.5264 7.5264 8.1335 8.1335 8.4222 8.4222 10.2669 10.2669 10.5777 10.5777 13.0647 13.0647 13.1147 13.1147 14.2258 14.2258 14.2411 14.2411 14.3511 14.3511 Writing output data file CaBiAu.save init_run : 4.39s CPU 13.83s WALL ( 1 calls) electrons : 1875.67s CPU 1888.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.41s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 1875.56s CPU 1888.46s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.92s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.60s WALL ( 1 calls) newd : 0.92s CPU 1.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 296 calls) cegterg : 1800.62s CPU 1810.41s WALL ( 1547 calls) Called by sum_band: Called by *egterg: h_psi : 662.78s CPU 678.98s WALL ( 31219 calls) s_psi : 77.79s CPU 78.08s WALL ( 31219 calls) g_psi : 1.61s CPU 1.69s WALL ( 29376 calls) cdiaghg : 781.55s CPU 778.87s WALL ( 29672 calls) cegterg:over : 143.73s CPU 139.20s WALL ( 29376 calls) cegterg:upda : 41.07s CPU 46.02s WALL ( 29376 calls) cegterg:last : 29.27s CPU 30.33s WALL ( 3619 calls) Called by h_psi: h_psi:vloc : 499.56s CPU 513.21s WALL ( 31219 calls) h_psi:vnl : 162.19s CPU 163.82s WALL ( 31219 calls) add_vuspsi : 61.12s CPU 67.64s WALL ( 31219 calls) General routines calbec : 100.93s CPU 95.96s WALL ( 31219 calls) fft : 0.39s CPU 1.30s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 470.81s CPU 478.64s WALL ( 2593148 calls) interpolate : 0.14s CPU 0.18s WALL ( 4 calls) davcio : 0.02s CPU 2.78s WALL ( 592 calls) Parallel routines fft_scatter : 282.80s CPU 285.10s WALL ( 2593171 calls) PWSCF : 32m20.32s CPU 35m31.59s WALL This run was terminated on: 14: 1:27 14Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=