Program PWSCF v.5.1.1 starts on 24Jun2015 at 2:52:22 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: ./MgTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 42 25 7 2500 1185 179 Max 43 26 8 2509 1214 186 Sum 2053 1237 361 120149 57441 8761 bravais-lattice index = 14 lattice parameter (alat) = 8.7419 a.u. unit-cell volume = 937.1177 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.741872 celldm(2)= 1.000000 celldm(3)= 1.619758 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 1.619758 ) 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 0.617376 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Mg 10.00 24.30500 Mg( 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 ) ( 0.8098789 ) 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 ) ( 0.8098789 ) 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 ) ( 0.8098789 ) 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 ) ( 0.8098789 ) 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 ) ( 0.8098789 ) 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 ) ( 0.8098789 ) 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= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0034483 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0034483 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0034483 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0034483 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0034483 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0034483 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0034483 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0034483 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0034483 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0034483 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0034483 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0034483 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0034483 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0034483 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0034483 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0034483 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0034483 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0034483 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0034483 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0034483 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0034483 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0034483 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0034483 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0034483 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0034483 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0034483 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0034483 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0034483 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0034483 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0034483 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0034483 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0034483 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0034483 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034483 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0034483 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0034483 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0034483 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0034483 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0034483 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0034483 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0034483 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0034483 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0034483 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0034483 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0034483 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0034483 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0034483 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0034483 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0034483 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0034483 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0034483 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0034483 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0034483 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0034483 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0034483 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0146994), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0293989), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0440983), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0587977), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.0734972), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.0881966), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.1028960), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1175955), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.1322949), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.1469943), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.1616938), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.1763932), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.1910926), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.2057921), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.2204915), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.2351909), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.2498904), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.2645898), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.2792892), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.2939887), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.3086881), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.3086881), wk = 0.0034483 k( 136) = ( 0.0125000 0.0072169 0.3086881), wk = 0.0034483 k( 137) = ( 0.0250000 0.0144338 0.3086881), wk = 0.0034483 k( 138) = ( 0.0375000 0.0216506 0.3086881), wk = 0.0034483 k( 139) = ( 0.0500000 0.0288675 0.3086881), wk = 0.0034483 k( 140) = ( 0.0625000 0.0360844 0.3086881), wk = 0.0034483 k( 141) = ( 0.0750000 0.0433013 0.3086881), wk = 0.0034483 k( 142) = ( 0.0875000 0.0505181 0.3086881), wk = 0.0034483 k( 143) = ( 0.1000000 0.0577350 0.3086881), wk = 0.0034483 k( 144) = ( 0.1125000 0.0649519 0.3086881), wk = 0.0034483 k( 145) = ( 0.1250000 0.0721688 0.3086881), wk = 0.0034483 k( 146) = ( 0.1375000 0.0793857 0.3086881), wk = 0.0034483 k( 147) = ( 0.1500000 0.0866025 0.3086881), wk = 0.0034483 k( 148) = ( 0.1625000 0.0938194 0.3086881), wk = 0.0034483 k( 149) = ( 0.1750000 0.1010363 0.3086881), wk = 0.0034483 k( 150) = ( 0.1875000 0.1082532 0.3086881), wk = 0.0034483 k( 151) = ( 0.2000000 0.1154701 0.3086881), wk = 0.0034483 k( 152) = ( 0.2125000 0.1226869 0.3086881), wk = 0.0034483 k( 153) = ( 0.2250000 0.1299038 0.3086881), wk = 0.0034483 k( 154) = ( 0.2375000 0.1371207 0.3086881), wk = 0.0034483 k( 155) = ( 0.2500000 0.1443376 0.3086881), wk = 0.0034483 k( 156) = ( 0.2625000 0.1515544 0.3086881), wk = 0.0034483 k( 157) = ( 0.2750000 0.1587713 0.3086881), wk = 0.0034483 k( 158) = ( 0.2875000 0.1659882 0.3086881), wk = 0.0034483 k( 159) = ( 0.3000000 0.1732051 0.3086881), wk = 0.0034483 k( 160) = ( 0.3125000 0.1804220 0.3086881), wk = 0.0034483 k( 161) = ( 0.3250000 0.1876388 0.3086881), wk = 0.0034483 k( 162) = ( 0.3375000 0.1948557 0.3086881), wk = 0.0034483 k( 163) = ( 0.3500000 0.2020726 0.3086881), wk = 0.0034483 k( 164) = ( 0.3625000 0.2092895 0.3086881), wk = 0.0034483 k( 165) = ( 0.3750000 0.2165064 0.3086881), wk = 0.0034483 k( 166) = ( 0.3875000 0.2237232 0.3086881), wk = 0.0034483 k( 167) = ( 0.4000000 0.2309401 0.3086881), wk = 0.0034483 k( 168) = ( 0.4125000 0.2381570 0.3086881), wk = 0.0034483 k( 169) = ( 0.4250000 0.2453739 0.3086881), wk = 0.0034483 k( 170) = ( 0.4375000 0.2525907 0.3086881), wk = 0.0034483 k( 171) = ( 0.4500000 0.2598076 0.3086881), wk = 0.0034483 k( 172) = ( 0.4625000 0.2670245 0.3086881), wk = 0.0034483 k( 173) = ( 0.4750000 0.2742414 0.3086881), wk = 0.0034483 k( 174) = ( 0.4875000 0.2814583 0.3086881), wk = 0.0034483 k( 175) = ( 0.5000000 0.2886751 0.3086881), wk = 0.0034483 k( 176) = ( 0.5000000 0.2886751 0.3086881), wk = 0.0034483 k( 177) = ( 0.4927536 0.3012262 0.3086881), wk = 0.0034483 k( 178) = ( 0.4855073 0.3137773 0.3086881), wk = 0.0034483 k( 179) = ( 0.4782609 0.3263284 0.3086881), wk = 0.0034483 k( 180) = ( 0.4710145 0.3388795 0.3086881), wk = 0.0034483 k( 181) = ( 0.4637681 0.3514306 0.3086881), wk = 0.0034483 k( 182) = ( 0.4565217 0.3639817 0.3086881), wk = 0.0034483 k( 183) = ( 0.4492754 0.3765328 0.3086881), wk = 0.0034483 k( 184) = ( 0.4420290 0.3890839 0.3086881), wk = 0.0034483 k( 185) = ( 0.4347826 0.4016350 0.3086881), wk = 0.0034483 k( 186) = ( 0.4275362 0.4141861 0.3086881), wk = 0.0034483 k( 187) = ( 0.4202899 0.4267372 0.3086881), wk = 0.0034483 k( 188) = ( 0.4130435 0.4392882 0.3086881), wk = 0.0034483 k( 189) = ( 0.4057971 0.4518393 0.3086881), wk = 0.0034483 k( 190) = ( 0.3985507 0.4643904 0.3086881), wk = 0.0034483 k( 191) = ( 0.3913044 0.4769415 0.3086881), wk = 0.0034483 k( 192) = ( 0.3840580 0.4894926 0.3086881), wk = 0.0034483 k( 193) = ( 0.3768116 0.5020437 0.3086881), wk = 0.0034483 k( 194) = ( 0.3695652 0.5145948 0.3086881), wk = 0.0034483 k( 195) = ( 0.3623188 0.5271459 0.3086881), wk = 0.0034483 k( 196) = ( 0.3550725 0.5396970 0.3086881), wk = 0.0034483 k( 197) = ( 0.3478261 0.5522481 0.3086881), wk = 0.0034483 k( 198) = ( 0.3405797 0.5647992 0.3086881), wk = 0.0034483 k( 199) = ( 0.3333333 0.5773503 0.3086881), wk = 0.0034483 k( 200) = ( 0.3333333 0.5773503 0.3086881), wk = 0.0034483 k( 201) = ( 0.3260870 0.5647992 0.3086881), wk = 0.0034483 k( 202) = ( 0.3188406 0.5522481 0.3086881), wk = 0.0034483 k( 203) = ( 0.3115942 0.5396970 0.3086881), wk = 0.0034483 k( 204) = ( 0.3043478 0.5271459 0.3086881), wk = 0.0034483 k( 205) = ( 0.2971014 0.5145948 0.3086881), wk = 0.0034483 k( 206) = ( 0.2898551 0.5020437 0.3086881), wk = 0.0034483 k( 207) = ( 0.2826087 0.4894926 0.3086881), wk = 0.0034483 k( 208) = ( 0.2753623 0.4769415 0.3086881), wk = 0.0034483 k( 209) = ( 0.2681159 0.4643904 0.3086881), wk = 0.0034483 k( 210) = ( 0.2608696 0.4518393 0.3086881), wk = 0.0034483 k( 211) = ( 0.2536232 0.4392883 0.3086881), wk = 0.0034483 k( 212) = ( 0.2463768 0.4267372 0.3086881), wk = 0.0034483 k( 213) = ( 0.2391304 0.4141861 0.3086881), wk = 0.0034483 k( 214) = ( 0.2318841 0.4016350 0.3086881), wk = 0.0034483 k( 215) = ( 0.2246377 0.3890839 0.3086881), wk = 0.0034483 k( 216) = ( 0.2173913 0.3765328 0.3086881), wk = 0.0034483 k( 217) = ( 0.2101449 0.3639817 0.3086881), wk = 0.0034483 k( 218) = ( 0.2028986 0.3514306 0.3086881), wk = 0.0034483 k( 219) = ( 0.1956522 0.3388795 0.3086881), wk = 0.0034483 k( 220) = ( 0.1884058 0.3263284 0.3086881), wk = 0.0034483 k( 221) = ( 0.1811594 0.3137773 0.3086881), wk = 0.0034483 k( 222) = ( 0.1739130 0.3012262 0.3086881), wk = 0.0034483 k( 223) = ( 0.1666667 0.2886751 0.3086881), wk = 0.0034483 k( 224) = ( 0.1594203 0.2761240 0.3086881), wk = 0.0034483 k( 225) = ( 0.1521739 0.2635729 0.3086881), wk = 0.0034483 k( 226) = ( 0.1449275 0.2510219 0.3086881), wk = 0.0034483 k( 227) = ( 0.1376812 0.2384708 0.3086881), wk = 0.0034483 k( 228) = ( 0.1304348 0.2259197 0.3086881), wk = 0.0034483 k( 229) = ( 0.1231884 0.2133686 0.3086881), wk = 0.0034483 k( 230) = ( 0.1159420 0.2008175 0.3086881), wk = 0.0034483 k( 231) = ( 0.1086957 0.1882664 0.3086881), wk = 0.0034483 k( 232) = ( 0.1014493 0.1757153 0.3086881), wk = 0.0034483 k( 233) = ( 0.0942029 0.1631642 0.3086881), wk = 0.0034483 k( 234) = ( 0.0869565 0.1506131 0.3086881), wk = 0.0034483 k( 235) = ( 0.0797101 0.1380620 0.3086881), wk = 0.0034483 k( 236) = ( 0.0724638 0.1255109 0.3086881), wk = 0.0034483 k( 237) = ( 0.0652174 0.1129598 0.3086881), wk = 0.0034483 k( 238) = ( 0.0579710 0.1004087 0.3086881), wk = 0.0034483 k( 239) = ( 0.0507246 0.0878577 0.3086881), wk = 0.0034483 k( 240) = ( 0.0434783 0.0753066 0.3086881), wk = 0.0034483 k( 241) = ( 0.0362319 0.0627555 0.3086881), wk = 0.0034483 k( 242) = ( 0.0289855 0.0502044 0.3086881), wk = 0.0034483 k( 243) = ( 0.0217391 0.0376533 0.3086881), wk = 0.0034483 k( 244) = ( 0.0144928 0.0251022 0.3086881), wk = 0.0034483 k( 245) = ( 0.0072464 0.0125511 0.3086881), wk = 0.0034483 k( 246) = ( 0.0000000 0.0000000 0.3086881), wk = 0.0034483 k( 247) = ( 0.5000000 0.2886751 0.3086881), wk = 0.0034483 k( 248) = ( 0.5000000 0.2886751 0.2939887), wk = 0.0034483 k( 249) = ( 0.5000000 0.2886751 0.2792892), wk = 0.0034483 k( 250) = ( 0.5000000 0.2886751 0.2645898), wk = 0.0034483 k( 251) = ( 0.5000000 0.2886751 0.2498904), wk = 0.0034483 k( 252) = ( 0.5000000 0.2886751 0.2351909), wk = 0.0034483 k( 253) = ( 0.5000000 0.2886751 0.2204915), wk = 0.0034483 k( 254) = ( 0.5000000 0.2886751 0.2057921), wk = 0.0034483 k( 255) = ( 0.5000000 0.2886751 0.1910926), wk = 0.0034483 k( 256) = ( 0.5000000 0.2886751 0.1763932), wk = 0.0034483 k( 257) = ( 0.5000000 0.2886751 0.1616938), wk = 0.0034483 k( 258) = ( 0.5000000 0.2886751 0.1469943), wk = 0.0034483 k( 259) = ( 0.5000000 0.2886751 0.1322949), wk = 0.0034483 k( 260) = ( 0.5000000 0.2886751 0.1175955), wk = 0.0034483 k( 261) = ( 0.5000000 0.2886751 0.1028960), wk = 0.0034483 k( 262) = ( 0.5000000 0.2886751 0.0881966), wk = 0.0034483 k( 263) = ( 0.5000000 0.2886751 0.0734972), wk = 0.0034483 k( 264) = ( 0.5000000 0.2886751 0.0587977), wk = 0.0034483 k( 265) = ( 0.5000000 0.2886751 0.0440983), wk = 0.0034483 k( 266) = ( 0.5000000 0.2886751 0.0293989), wk = 0.0034483 k( 267) = ( 0.5000000 0.2886751 0.0146994), wk = 0.0034483 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 270) = ( 0.3333333 0.5773503 0.0146994), wk = 0.0034483 k( 271) = ( 0.3333333 0.5773503 0.0293989), wk = 0.0034483 k( 272) = ( 0.3333333 0.5773503 0.0440983), wk = 0.0034483 k( 273) = ( 0.3333333 0.5773503 0.0587977), wk = 0.0034483 k( 274) = ( 0.3333333 0.5773503 0.0734972), wk = 0.0034483 k( 275) = ( 0.3333333 0.5773503 0.0881966), wk = 0.0034483 k( 276) = ( 0.3333333 0.5773503 0.1028960), wk = 0.0034483 k( 277) = ( 0.3333333 0.5773503 0.1175955), wk = 0.0034483 k( 278) = ( 0.3333333 0.5773503 0.1322949), wk = 0.0034483 k( 279) = ( 0.3333333 0.5773503 0.1469943), wk = 0.0034483 k( 280) = ( 0.3333333 0.5773503 0.1616938), wk = 0.0034483 k( 281) = ( 0.3333333 0.5773503 0.1763932), wk = 0.0034483 k( 282) = ( 0.3333333 0.5773503 0.1910926), wk = 0.0034483 k( 283) = ( 0.3333333 0.5773503 0.2057921), wk = 0.0034483 k( 284) = ( 0.3333333 0.5773503 0.2204915), wk = 0.0034483 k( 285) = ( 0.3333333 0.5773503 0.2351909), wk = 0.0034483 k( 286) = ( 0.3333333 0.5773503 0.2498904), wk = 0.0034483 k( 287) = ( 0.3333333 0.5773503 0.2645898), wk = 0.0034483 k( 288) = ( 0.3333333 0.5773503 0.2792892), wk = 0.0034483 k( 289) = ( 0.3333333 0.5773503 0.2939887), wk = 0.0034483 k( 290) = ( 0.3333333 0.5773503 0.3086881), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 -0.0000000 0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 -0.0000000 0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 -0.0000000 0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.0000000 -0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 -0.0000000 0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 43) = ( 0.4927536 0.0144927 0.0000000), wk = 0.0034483 k( 44) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0034483 k( 45) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4637681 0.0724638 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0034483 k( 49) = ( 0.4492754 0.1014493 -0.0000000), wk = 0.0034483 k( 50) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0034483 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0034483 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0034483 k( 53) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0034483 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0034483 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0034483 k( 56) = ( 0.3985507 0.2028985 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3913044 0.2173913 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0034483 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0034483 k( 60) = ( 0.3695652 0.2608696 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0034483 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0034483 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0034483 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0034483 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0034483 k( 68) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0034483 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0034483 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0034483 k( 71) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0034483 k( 72) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0034483 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0034483 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0034483 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0034483 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0034483 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0034483 k( 79) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0034483 k( 80) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0034483 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0034483 k( 82) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0034483 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0034483 k( 84) = ( 0.2028986 0.2028985 0.0000000), wk = 0.0034483 k( 85) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0034483 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0034483 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0034483 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0034483 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034483 k( 90) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0034483 k( 91) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0034483 k( 92) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0034483 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0034483 k( 94) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0034483 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0034483 k( 96) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0034483 k( 97) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0034483 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0034483 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0034483 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0034483 k( 101) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0034483 k( 102) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0034483 k( 103) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0034483 k( 104) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0034483 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0034483 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0034483 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0034483 k( 108) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0034483 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0034483 k( 110) = ( 0.0144928 0.0144927 -0.0000000), wk = 0.0034483 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 136) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0034483 k( 137) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0034483 k( 138) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0034483 k( 139) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0034483 k( 140) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0034483 k( 141) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0034483 k( 142) = ( 0.0875000 -0.0000000 0.5000000), wk = 0.0034483 k( 143) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0034483 k( 144) = ( 0.1125000 -0.0000000 0.5000000), wk = 0.0034483 k( 145) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0034483 k( 146) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0034483 k( 147) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0034483 k( 148) = ( 0.1625000 -0.0000000 0.5000000), wk = 0.0034483 k( 149) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0034483 k( 150) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0034483 k( 151) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0034483 k( 152) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0034483 k( 153) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0034483 k( 154) = ( 0.2375000 -0.0000000 0.5000000), wk = 0.0034483 k( 155) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0034483 k( 156) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0034483 k( 157) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0034483 k( 158) = ( 0.2875000 0.0000000 0.5000000), wk = 0.0034483 k( 159) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0034483 k( 160) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0034483 k( 161) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0034483 k( 162) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0034483 k( 163) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0034483 k( 164) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0034483 k( 165) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0034483 k( 166) = ( 0.3875000 -0.0000000 0.5000000), wk = 0.0034483 k( 167) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0034483 k( 168) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0034483 k( 169) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0034483 k( 170) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0034483 k( 171) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0034483 k( 172) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0034483 k( 173) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0034483 k( 174) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0034483 k( 175) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034483 k( 176) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034483 k( 177) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0034483 k( 178) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0034483 k( 179) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0034483 k( 180) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0034483 k( 181) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0034483 k( 182) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0034483 k( 183) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0034483 k( 184) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0034483 k( 185) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0034483 k( 186) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0034483 k( 187) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0034483 k( 188) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0034483 k( 189) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0034483 k( 190) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0034483 k( 191) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0034483 k( 192) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0034483 k( 193) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0034483 k( 194) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0034483 k( 195) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0034483 k( 196) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0034483 k( 197) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0034483 k( 198) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0034483 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 201) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0034483 k( 202) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0034483 k( 203) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0034483 k( 204) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0034483 k( 205) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0034483 k( 206) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0034483 k( 207) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0034483 k( 208) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0034483 k( 209) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0034483 k( 210) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0034483 k( 211) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0034483 k( 212) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0034483 k( 213) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0034483 k( 214) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0034483 k( 215) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0034483 k( 216) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0034483 k( 217) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0034483 k( 218) = ( 0.2028986 0.2028985 0.5000000), wk = 0.0034483 k( 219) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0034483 k( 220) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0034483 k( 221) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0034483 k( 222) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0034483 k( 223) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034483 k( 224) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0034483 k( 225) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0034483 k( 226) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0034483 k( 227) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0034483 k( 228) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0034483 k( 229) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0034483 k( 230) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0034483 k( 231) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0034483 k( 232) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0034483 k( 233) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0034483 k( 234) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0034483 k( 235) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0034483 k( 236) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0034483 k( 237) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0034483 k( 238) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0034483 k( 239) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0034483 k( 240) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0034483 k( 241) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0034483 k( 242) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0034483 k( 243) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0034483 k( 244) = ( 0.0144928 0.0144927 0.5000000), wk = 0.0034483 k( 245) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0034483 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 247) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034483 k( 248) = ( 0.5000000 -0.0000000 0.4761905), wk = 0.0034483 k( 249) = ( 0.5000000 -0.0000000 0.4523810), wk = 0.0034483 k( 250) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0034483 k( 251) = ( 0.5000000 -0.0000000 0.4047619), wk = 0.0034483 k( 252) = ( 0.5000000 -0.0000000 0.3809524), wk = 0.0034483 k( 253) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0034483 k( 254) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0034483 k( 255) = ( 0.5000000 -0.0000000 0.3095238), wk = 0.0034483 k( 256) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0034483 k( 257) = ( 0.5000000 -0.0000000 0.2619048), wk = 0.0034483 k( 258) = ( 0.5000000 -0.0000000 0.2380952), wk = 0.0034483 k( 259) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0034483 k( 260) = ( 0.5000000 -0.0000000 0.1904762), wk = 0.0034483 k( 261) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0034483 k( 262) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0034483 k( 263) = ( 0.5000000 -0.0000000 0.1190476), wk = 0.0034483 k( 264) = ( 0.5000000 -0.0000000 0.0952381), wk = 0.0034483 k( 265) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0034483 k( 266) = ( 0.5000000 -0.0000000 0.0476190), wk = 0.0034483 k( 267) = ( 0.5000000 -0.0000000 0.0238095), wk = 0.0034483 k( 268) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 269) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 270) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0034483 k( 271) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0034483 k( 272) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0034483 k( 273) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0034483 k( 274) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0034483 k( 275) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0034483 k( 276) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034483 k( 277) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0034483 k( 278) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0034483 k( 279) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0034483 k( 280) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0034483 k( 281) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0034483 k( 282) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0034483 k( 283) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034483 k( 284) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0034483 k( 285) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0034483 k( 286) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0034483 k( 287) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0034483 k( 288) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0034483 k( 289) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0034483 k( 290) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 Dense grid: 120149 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 57441 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 318, 40) NL pseudopotentials 0.23 Mb ( 159, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2505) G-vector shells 0.01 Mb ( 1218) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 318, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./MgTe.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.0 secs Computing kpt #: 2 total cpu time spent up to now is 44.0 secs Computing kpt #: 3 total cpu time spent up to now is 45.5 secs Computing kpt #: 4 total cpu time spent up to now is 47.2 secs Computing kpt #: 5 total cpu time spent up to now is 48.8 secs Computing kpt #: 6 total cpu time spent up to now is 50.5 secs Computing kpt #: 7 total cpu time spent up to now is 52.3 secs Computing kpt #: 8 total cpu time spent up to now is 54.1 secs Computing kpt #: 9 total cpu time spent up to now is 55.7 secs Computing kpt #: 10 total cpu time spent up to now is 57.5 secs Computing kpt #: 11 total cpu time spent up to now is 59.7 secs Computing kpt #: 12 total cpu time spent up to now is 62.0 secs Computing kpt #: 13 total cpu time spent up to now is 64.0 secs Computing kpt #: 14 total cpu time spent up to now is 66.7 secs Computing kpt #: 15 total cpu time spent up to now is 68.9 secs Computing kpt #: 16 total cpu time spent up to now is 70.6 secs Computing kpt #: 17 total cpu time spent up to now is 72.1 secs Computing kpt #: 18 total cpu time spent up to now is 73.7 secs Computing kpt #: 19 total cpu time spent up to now is 75.3 secs Computing kpt #: 20 total cpu time spent up to now is 77.5 secs Computing kpt #: 21 total cpu time spent up to now is 80.5 secs Computing kpt #: 22 total cpu time spent up to now is 82.7 secs Computing kpt #: 23 total cpu time spent up to now is 85.2 secs Computing kpt #: 24 total cpu time spent up to now is 87.8 secs Computing kpt #: 25 total cpu time spent up to now is 89.9 secs Computing kpt #: 26 total cpu time spent up to now is 92.0 secs Computing kpt #: 27 total cpu time spent up to now is 93.9 secs Computing kpt #: 28 total cpu time spent up to now is 95.8 secs Computing kpt #: 29 total cpu time spent up to now is 97.4 secs Computing kpt #: 30 total cpu time spent up to now is 99.1 secs Computing kpt #: 31 total cpu time spent up to now is 101.0 secs Computing kpt #: 32 total cpu time spent up to now is 102.5 secs Computing kpt #: 33 total cpu time spent up to now is 104.1 secs Computing kpt #: 34 total cpu time spent up to now is 105.8 secs Computing kpt #: 35 total cpu time spent up to now is 107.4 secs Computing kpt #: 36 total cpu time spent up to now is 108.9 secs Computing kpt #: 37 total cpu time spent up to now is 110.4 secs Computing kpt #: 38 total cpu time spent up to now is 112.0 secs Computing kpt #: 39 total cpu time spent up to now is 113.6 secs Computing kpt #: 40 total cpu time spent up to now is 115.0 secs Computing kpt #: 41 total cpu time spent up to now is 116.3 secs Computing kpt #: 42 total cpu time spent up to now is 117.9 secs Computing kpt #: 43 total cpu time spent up to now is 119.4 secs Computing kpt #: 44 total cpu time spent up to now is 121.0 secs Computing kpt #: 45 total cpu time spent up to now is 122.6 secs Computing kpt #: 46 total cpu time spent up to now is 124.2 secs Computing kpt #: 47 total cpu time spent up to now is 125.9 secs Computing kpt #: 48 total cpu time spent up to now is 127.6 secs Computing kpt #: 49 total cpu time spent up to now is 130.4 secs Computing kpt #: 50 total cpu time spent up to now is 131.8 secs Computing kpt #: 51 total cpu time spent up to now is 133.3 secs Computing kpt #: 52 total cpu time spent up to now is 134.7 secs Computing kpt #: 53 total cpu time spent up to now is 136.4 secs Computing kpt #: 54 total cpu time spent up to now is 137.9 secs Computing kpt #: 55 total cpu time spent up to now is 139.6 secs Computing kpt #: 56 total cpu time spent up to now is 141.2 secs Computing kpt #: 57 total cpu time spent up to now is 142.9 secs Computing kpt #: 58 total cpu time spent up to now is 144.6 secs Computing kpt #: 59 total cpu time spent up to now is 146.6 secs Computing kpt #: 60 total cpu time spent up to now is 148.4 secs Computing kpt #: 61 total cpu time spent up to now is 150.7 secs Computing kpt #: 62 total cpu time spent up to now is 152.5 secs Computing kpt #: 63 total cpu time spent up to now is 154.4 secs Computing kpt #: 64 total cpu time spent up to now is 156.6 secs Computing kpt #: 65 total cpu time spent up to now is 158.7 secs Computing kpt #: 66 total cpu time spent up to now is 160.6 secs Computing kpt #: 67 total cpu time spent up to now is 162.6 secs Computing kpt #: 68 total cpu time spent up to now is 164.5 secs Computing kpt #: 69 total cpu time spent up to now is 166.4 secs Computing kpt #: 70 total cpu time spent up to now is 168.5 secs Computing kpt #: 71 total cpu time spent up to now is 170.9 secs Computing kpt #: 72 total cpu time spent up to now is 172.5 secs Computing kpt #: 73 total cpu time spent up to now is 174.2 secs Computing kpt #: 74 total cpu time spent up to now is 175.8 secs Computing kpt #: 75 total cpu time spent up to now is 177.5 secs Computing kpt #: 76 total cpu time spent up to now is 179.1 secs Computing kpt #: 77 total cpu time spent up to now is 180.7 secs Computing kpt #: 78 total cpu time spent up to now is 182.5 secs Computing kpt #: 79 total cpu time spent up to now is 184.5 secs Computing kpt #: 80 total cpu time spent up to now is 186.2 secs Computing kpt #: 81 total cpu time spent up to now is 187.7 secs Computing kpt #: 82 total cpu time spent up to now is 189.2 secs Computing kpt #: 83 total cpu time spent up to now is 190.6 secs Computing kpt #: 84 total cpu time spent up to now is 191.9 secs Computing kpt #: 85 total cpu time spent up to now is 194.0 secs Computing kpt #: 86 total cpu time spent up to now is 195.8 secs Computing kpt #: 87 total cpu time spent up to now is 197.5 secs Computing kpt #: 88 total cpu time spent up to now is 198.9 secs Computing kpt #: 89 total cpu time spent up to now is 200.4 secs Computing kpt #: 90 total cpu time spent up to now is 202.0 secs Computing kpt #: 91 total cpu time spent up to now is 204.0 secs Computing kpt #: 92 total cpu time spent up to now is 206.1 secs Computing kpt #: 93 total cpu time spent up to now is 208.1 secs Computing kpt #: 94 total cpu time spent up to now is 209.5 secs Computing kpt #: 95 total cpu time spent up to now is 211.0 secs Computing kpt #: 96 total cpu time spent up to now is 212.7 secs Computing kpt #: 97 total cpu time spent up to now is 214.3 secs Computing kpt #: 98 total cpu time spent up to now is 215.8 secs Computing kpt #: 99 total cpu time spent up to now is 217.5 secs Computing kpt #: 100 total cpu time spent up to now is 219.7 secs Computing kpt #: 101 total cpu time spent up to now is 221.5 secs Computing kpt #: 102 total cpu time spent up to now is 223.1 secs Computing kpt #: 103 total cpu time spent up to now is 224.6 secs Computing kpt #: 104 total cpu time spent up to now is 226.3 secs Computing kpt #: 105 total cpu time spent up to now is 228.3 secs Computing kpt #: 106 total cpu time spent up to now is 230.4 secs Computing kpt #: 107 total cpu time spent up to now is 233.0 secs Computing kpt #: 108 total cpu time spent up to now is 234.8 secs Computing kpt #: 109 total cpu time spent up to now is 236.3 secs Computing kpt #: 110 total cpu time spent up to now is 238.0 secs Computing kpt #: 111 total cpu time spent up to now is 239.6 secs Computing kpt #: 112 total cpu time spent up to now is 241.1 secs Computing kpt #: 113 total cpu time spent up to now is 242.7 secs Computing kpt #: 114 total cpu time spent up to now is 244.1 secs Computing kpt #: 115 total cpu time spent up to now is 245.7 secs Computing kpt #: 116 total cpu time spent up to now is 247.7 secs Computing kpt #: 117 total cpu time spent up to now is 249.4 secs Computing kpt #: 118 total cpu time spent up to now is 251.0 secs Computing kpt #: 119 total cpu time spent up to now is 252.5 secs Computing kpt #: 120 total cpu time spent up to now is 254.3 secs Computing kpt #: 121 total cpu time spent up to now is 256.0 secs Computing kpt #: 122 total cpu time spent up to now is 258.8 secs Computing kpt #: 123 total cpu time spent up to now is 260.5 secs Computing kpt #: 124 total cpu time spent up to now is 262.2 secs Computing kpt #: 125 total cpu time spent up to now is 263.9 secs Computing kpt #: 126 total cpu time spent up to now is 265.6 secs Computing kpt #: 127 total cpu time spent up to now is 267.3 secs Computing kpt #: 128 total cpu time spent up to now is 269.1 secs Computing kpt #: 129 total cpu time spent up to now is 270.9 secs Computing kpt #: 130 total cpu time spent up to now is 274.3 secs Computing kpt #: 131 total cpu time spent up to now is 276.0 secs Computing kpt #: 132 total cpu time spent up to now is 277.7 secs Computing kpt #: 133 total cpu time spent up to now is 279.5 secs Computing kpt #: 134 total cpu time spent up to now is 281.3 secs Computing kpt #: 135 total cpu time spent up to now is 283.4 secs Computing kpt #: 136 total cpu time spent up to now is 285.6 secs Computing kpt #: 137 total cpu time spent up to now is 287.5 secs Computing kpt #: 138 total cpu time spent up to now is 289.4 secs Computing kpt #: 139 total cpu time spent up to now is 291.1 secs Computing kpt #: 140 total cpu time spent up to now is 292.9 secs Computing kpt #: 141 total cpu time spent up to now is 295.0 secs Computing kpt #: 142 total cpu time spent up to now is 296.4 secs Computing kpt #: 143 total cpu time spent up to now is 298.0 secs Computing kpt #: 144 total cpu time spent up to now is 299.8 secs Computing kpt #: 145 total cpu time spent up to now is 301.9 secs Computing kpt #: 146 total cpu time spent up to now is 303.2 secs Computing kpt #: 147 total cpu time spent up to now is 304.4 secs Computing kpt #: 148 total cpu time spent up to now is 305.9 secs Computing kpt #: 149 total cpu time spent up to now is 307.2 secs Computing kpt #: 150 total cpu time spent up to now is 308.7 secs Computing kpt #: 151 total cpu time spent up to now is 310.0 secs Computing kpt #: 152 total cpu time spent up to now is 311.4 secs Computing kpt #: 153 total cpu time spent up to now is 313.0 secs Computing kpt #: 154 total cpu time spent up to now is 315.2 secs Computing kpt #: 155 total cpu time spent up to now is 316.9 secs Computing kpt #: 156 total cpu time spent up to now is 318.2 secs Computing kpt #: 157 total cpu time spent up to now is 319.4 secs Computing kpt #: 158 total cpu time spent up to now is 320.7 secs Computing kpt #: 159 total cpu time spent up to now is 321.9 secs Computing kpt #: 160 total cpu time spent up to now is 323.1 secs Computing kpt #: 161 total cpu time spent up to now is 324.3 secs Computing kpt #: 162 total cpu time spent up to now is 326.6 secs Computing kpt #: 163 total cpu time spent up to now is 327.7 secs Computing kpt #: 164 total cpu time spent up to now is 329.0 secs Computing kpt #: 165 total cpu time spent up to now is 330.5 secs Computing kpt #: 166 total cpu time spent up to now is 331.6 secs Computing kpt #: 167 total cpu time spent up to now is 332.6 secs Computing kpt #: 168 total cpu time spent up to now is 333.7 secs Computing kpt #: 169 total cpu time spent up to now is 334.7 secs Computing kpt #: 170 total cpu time spent up to now is 335.7 secs Computing kpt #: 171 total cpu time spent up to now is 336.8 secs Computing kpt #: 172 total cpu time spent up to now is 338.3 secs Computing kpt #: 173 total cpu time spent up to now is 339.9 secs Computing kpt #: 174 total cpu time spent up to now is 341.4 secs Computing kpt #: 175 total cpu time spent up to now is 342.8 secs Computing kpt #: 176 total cpu time spent up to now is 343.9 secs Computing kpt #: 177 total cpu time spent up to now is 344.9 secs Computing kpt #: 178 total cpu time spent up to now is 346.0 secs Computing kpt #: 179 total cpu time spent up to now is 347.1 secs Computing kpt #: 180 total cpu time spent up to now is 348.4 secs Computing kpt #: 181 total cpu time spent up to now is 349.5 secs Computing kpt #: 182 total cpu time spent up to now is 350.7 secs Computing kpt #: 183 total cpu time spent up to now is 352.5 secs Computing kpt #: 184 total cpu time spent up to now is 353.7 secs Computing kpt #: 185 total cpu time spent up to now is 354.9 secs Computing kpt #: 186 total cpu time spent up to now is 356.1 secs Computing kpt #: 187 total cpu time spent up to now is 357.4 secs Computing kpt #: 188 total cpu time spent up to now is 358.6 secs Computing kpt #: 189 total cpu time spent up to now is 359.8 secs Computing kpt #: 190 total cpu time spent up to now is 361.1 secs Computing kpt #: 191 total cpu time spent up to now is 362.8 secs Computing kpt #: 192 total cpu time spent up to now is 364.4 secs Computing kpt #: 193 total cpu time spent up to now is 366.0 secs Computing kpt #: 194 total cpu time spent up to now is 368.1 secs Computing kpt #: 195 total cpu time spent up to now is 369.7 secs Computing kpt #: 196 total cpu time spent up to now is 371.2 secs Computing kpt #: 197 total cpu time spent up to now is 372.6 secs Computing kpt #: 198 total cpu time spent up to now is 374.0 secs Computing kpt #: 199 total cpu time spent up to now is 375.4 secs Computing kpt #: 200 total cpu time spent up to now is 376.8 secs Computing kpt #: 201 total cpu time spent up to now is 378.2 secs Computing kpt #: 202 total cpu time spent up to now is 379.6 secs Computing kpt #: 203 total cpu time spent up to now is 381.4 secs Computing kpt #: 204 total cpu time spent up to now is 383.4 secs Computing kpt #: 205 total cpu time spent up to now is 384.8 secs Computing kpt #: 206 total cpu time spent up to now is 386.2 secs Computing kpt #: 207 total cpu time spent up to now is 387.6 secs Computing kpt #: 208 total cpu time spent up to now is 389.0 secs Computing kpt #: 209 total cpu time spent up to now is 390.3 secs Computing kpt #: 210 total cpu time spent up to now is 391.6 secs Computing kpt #: 211 total cpu time spent up to now is 393.1 secs Computing kpt #: 212 total cpu time spent up to now is 394.5 secs Computing kpt #: 213 total cpu time spent up to now is 395.9 secs Computing kpt #: 214 total cpu time spent up to now is 397.2 secs Computing kpt #: 215 total cpu time spent up to now is 398.6 secs Computing kpt #: 216 total cpu time spent up to now is 400.2 secs Computing kpt #: 217 total cpu time spent up to now is 401.6 secs Computing kpt #: 218 total cpu time spent up to now is 403.0 secs Computing kpt #: 219 total cpu time spent up to now is 404.7 secs Computing kpt #: 220 total cpu time spent up to now is 406.3 secs Computing kpt #: 221 total cpu time spent up to now is 407.7 secs Computing kpt #: 222 total cpu time spent up to now is 409.1 secs Computing kpt #: 223 total cpu time spent up to now is 410.4 secs Computing kpt #: 224 total cpu time spent up to now is 411.9 secs Computing kpt #: 225 total cpu time spent up to now is 413.2 secs Computing kpt #: 226 total cpu time spent up to now is 415.1 secs Computing kpt #: 227 total cpu time spent up to now is 416.3 secs Computing kpt #: 228 total cpu time spent up to now is 417.6 secs Computing kpt #: 229 total cpu time spent up to now is 418.9 secs Computing kpt #: 230 total cpu time spent up to now is 420.2 secs Computing kpt #: 231 total cpu time spent up to now is 421.5 secs Computing kpt #: 232 total cpu time spent up to now is 422.7 secs Computing kpt #: 233 total cpu time spent up to now is 424.0 secs Computing kpt #: 234 total cpu time spent up to now is 425.4 secs Computing kpt #: 235 total cpu time spent up to now is 427.3 secs Computing kpt #: 236 total cpu time spent up to now is 428.7 secs Computing kpt #: 237 total cpu time spent up to now is 430.1 secs Computing kpt #: 238 total cpu time spent up to now is 431.5 secs Computing kpt #: 239 total cpu time spent up to now is 432.9 secs Computing kpt #: 240 total cpu time spent up to now is 434.4 secs Computing kpt #: 241 total cpu time spent up to now is 436.3 secs Computing kpt #: 242 total cpu time spent up to now is 437.9 secs Computing kpt #: 243 total cpu time spent up to now is 439.4 secs Computing kpt #: 244 total cpu time spent up to now is 441.1 secs Computing kpt #: 245 total cpu time spent up to now is 443.0 secs Computing kpt #: 246 total cpu time spent up to now is 444.9 secs Computing kpt #: 247 total cpu time spent up to now is 446.4 secs Computing kpt #: 248 total cpu time spent up to now is 447.9 secs Computing kpt #: 249 total cpu time spent up to now is 448.9 secs Computing kpt #: 250 total cpu time spent up to now is 449.9 secs Computing kpt #: 251 total cpu time spent up to now is 451.0 secs Computing kpt #: 252 total cpu time spent up to now is 452.1 secs Computing kpt #: 253 total cpu time spent up to now is 453.5 secs Computing kpt #: 254 total cpu time spent up to now is 454.7 secs Computing kpt #: 255 total cpu time spent up to now is 455.9 secs Computing kpt #: 256 total cpu time spent up to now is 457.2 secs Computing kpt #: 257 total cpu time spent up to now is 458.4 secs Computing kpt #: 258 total cpu time spent up to now is 460.0 secs Computing kpt #: 259 total cpu time spent up to now is 461.7 secs Computing kpt #: 260 total cpu time spent up to now is 463.0 secs Computing kpt #: 261 total cpu time spent up to now is 464.6 secs Computing kpt #: 262 total cpu time spent up to now is 466.4 secs Computing kpt #: 263 total cpu time spent up to now is 469.6 secs Computing kpt #: 264 total cpu time spent up to now is 472.4 secs Computing kpt #: 265 total cpu time spent up to now is 473.9 secs Computing kpt #: 266 total cpu time spent up to now is 475.3 secs Computing kpt #: 267 total cpu time spent up to now is 476.8 secs Computing kpt #: 268 total cpu time spent up to now is 478.2 secs Computing kpt #: 269 total cpu time spent up to now is 480.0 secs Computing kpt #: 270 total cpu time spent up to now is 482.1 secs Computing kpt #: 271 total cpu time spent up to now is 483.9 secs Computing kpt #: 272 total cpu time spent up to now is 485.7 secs Computing kpt #: 273 total cpu time spent up to now is 488.2 secs Computing kpt #: 274 total cpu time spent up to now is 490.6 secs Computing kpt #: 275 total cpu time spent up to now is 492.7 secs Computing kpt #: 276 total cpu time spent up to now is 494.5 secs Computing kpt #: 277 total cpu time spent up to now is 496.3 secs Computing kpt #: 278 total cpu time spent up to now is 498.2 secs Computing kpt #: 279 total cpu time spent up to now is 499.9 secs Computing kpt #: 280 total cpu time spent up to now is 501.7 secs Computing kpt #: 281 total cpu time spent up to now is 503.4 secs Computing kpt #: 282 total cpu time spent up to now is 505.0 secs Computing kpt #: 283 total cpu time spent up to now is 506.7 secs Computing kpt #: 284 total cpu time spent up to now is 508.5 secs Computing kpt #: 285 total cpu time spent up to now is 510.1 secs Computing kpt #: 286 total cpu time spent up to now is 511.6 secs Computing kpt #: 287 total cpu time spent up to now is 513.1 secs Computing kpt #: 288 total cpu time spent up to now is 514.6 secs Computing kpt #: 289 total cpu time spent up to now is 516.0 secs Computing kpt #: 290 total cpu time spent up to now is 517.4 secs ethr = 3.13E-11, avg # of iterations = 35.4 total cpu time spent up to now is 517.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7235 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1830 -39.1830 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.4639 -7.4639 -6.8932 -6.8932 -0.5166 -0.5166 1.9029 1.9029 2.0592 2.0592 2.3894 2.3894 2.8881 2.8881 2.9178 2.9178 4.9768 4.9768 5.5182 5.5182 7.8652 7.8652 7.8791 7.8791 k = 0.0125 0.0072-0.0000 ( 7217 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4632 -7.4632 -6.8928 -6.8928 -0.5180 -0.5133 1.8938 1.9054 2.0547 2.0572 2.3860 2.3860 2.8824 2.8830 2.9143 2.9177 4.9848 4.9859 5.5212 5.5292 7.8634 7.8636 7.8789 7.8792 k = 0.0250 0.0144-0.0000 ( 7205 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.4613 -7.4613 -6.8918 -6.8917 -0.5177 -0.5081 1.8778 1.9013 2.0438 2.0486 2.3758 2.3763 2.8638 2.8670 2.9099 2.9143 5.0094 5.0113 5.5378 5.5537 7.8527 7.8533 7.8836 7.8846 k = 0.0375 0.0217-0.0000 ( 7193 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4581 -7.4581 -6.8900 -6.8899 -0.5155 -0.5011 1.8549 1.8906 2.0262 2.0333 2.3596 2.3610 2.8332 2.8399 2.9053 2.9091 5.0495 5.0519 5.5676 5.5910 7.8324 7.8333 7.8951 7.8966 k = 0.0500 0.0289-0.0000 ( 7205 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4536 -7.4536 -6.8875 -6.8874 -0.5116 -0.4921 1.8246 1.8730 2.0020 2.0109 2.3382 2.3412 2.7933 2.8030 2.8998 2.9027 5.1033 5.1057 5.6095 5.6398 7.8051 7.8060 7.9120 7.9140 k = 0.0625 0.0361-0.0000 ( 7205 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4479 -7.4479 -6.8844 -6.8843 -0.5060 -0.4814 1.7866 1.8480 1.9714 1.9815 2.3128 2.3181 2.7471 2.7587 2.8931 2.8951 5.1686 5.1704 5.6620 5.6986 7.7727 7.7734 7.9337 7.9362 k = 0.0750 0.0433-0.0000 ( 7205 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4410 -7.4409 -6.8806 -6.8804 -0.4987 -0.4687 1.7408 1.8148 1.9351 1.9453 2.2843 2.2922 2.6973 2.7094 2.8851 2.8862 5.2431 5.2439 5.7235 5.7657 7.7371 7.7372 7.9597 7.9627 k = 0.0875 0.0505-0.0000 ( 7205 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4328 -7.4328 -6.8761 -6.8760 -0.4898 -0.4542 1.6871 1.7727 1.8942 1.9026 2.2532 2.2639 2.6465 2.6578 2.8756 2.8759 5.3240 5.3247 5.7919 5.8389 7.6996 7.7004 7.9896 7.9932 k = 0.1000 0.0577-0.0000 ( 7209 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4234 -7.4234 -6.8711 -6.8709 -0.4793 -0.4378 1.6260 1.7213 1.8498 1.8540 2.2200 2.2331 2.5970 2.6061 2.8641 2.8646 5.4088 5.4114 5.8648 5.9159 7.6625 7.6649 8.0228 8.0269 k = 0.1125 0.0650-0.0000 ( 7203 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4129 -7.4129 -6.8655 -6.8653 -0.4675 -0.4196 1.5581 1.6611 1.7997 1.8023 2.1845 2.2000 2.5503 2.5561 2.8509 2.8521 5.4965 5.5014 5.9399 5.9940 7.6285 7.6332 8.0586 8.0633 k = 0.1250 0.0722-0.0000 ( 7185 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4013 -7.4013 -6.8594 -6.8592 -0.4542 -0.3996 1.4843 1.5934 1.7401 1.7515 2.1471 2.1648 2.5076 2.5090 2.8362 2.8382 5.5854 5.5930 6.0142 6.0702 7.5998 7.6080 8.0963 8.1015 k = 0.1375 0.0794-0.0000 ( 7195 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3886 -7.3886 -6.8528 -6.8525 -0.4398 -0.3778 1.4059 1.5198 1.6755 1.6972 2.1081 2.1278 2.4655 2.4689 2.8201 2.8229 5.6742 5.6848 6.0847 6.1413 7.5791 7.5922 8.1348 8.1401 k = 0.1500 0.0866-0.0000 ( 7195 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3748 -7.3748 -6.8458 -6.8455 -0.4242 -0.3544 1.3237 1.4420 1.6063 1.6392 2.0682 2.0899 2.4256 2.4341 2.8027 2.8061 5.7617 5.7754 6.1481 6.2038 7.5689 7.5887 8.1727 8.1771 k = 0.1625 0.0938-0.0000 ( 7183 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3601 -7.3601 -6.8384 -6.8381 -0.4077 -0.3293 1.2390 1.3613 1.5333 1.5777 2.0280 2.0516 2.3890 2.4025 2.7839 2.7880 5.8467 5.8637 6.2013 6.2547 7.5713 7.5998 8.1922 8.2063 k = 0.1750 0.1010-0.0000 ( 7187 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3444 -7.3444 -6.8307 -6.8304 -0.3904 -0.3025 1.1526 1.2790 1.4570 1.5130 1.9882 2.0136 2.3550 2.3733 2.7638 2.7685 5.9281 5.9485 6.2419 6.2918 7.5869 7.6263 8.1433 8.1825 k = 0.1875 0.1083-0.0000 ( 7179 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3279 -7.3279 -6.8227 -6.8224 -0.3726 -0.2743 1.0654 1.1961 1.3783 1.4460 1.9492 1.9762 2.3229 2.3458 2.7425 2.7477 6.0050 6.0289 6.2686 6.3141 7.6144 7.6664 8.0855 8.1305 k = 0.2000 0.1155-0.0000 ( 7185 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.3105 -7.3105 -6.8146 -6.8143 -0.3546 -0.2447 0.9781 1.1133 1.2980 1.3774 1.9114 1.9399 2.2922 2.3194 2.7201 2.7258 6.0766 6.1040 6.2814 6.3224 7.6487 7.7130 8.0330 8.0818 k = 0.2125 0.1227-0.0000 ( 7183 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2924 -7.2924 -6.8064 -6.8060 -0.3366 -0.2138 0.8916 1.0316 1.2168 1.3082 1.8748 1.9046 2.2624 2.2936 2.6968 2.7027 6.1417 6.1732 6.2816 6.3191 7.6791 7.7481 8.0027 8.0463 k = 0.2250 0.1299-0.0000 ( 7179 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2736 -7.2736 -6.7981 -6.7977 -0.3190 -0.1819 0.8065 0.9515 1.1354 1.2394 1.8397 1.8705 2.2330 2.2681 2.6725 2.6787 6.1983 6.2358 6.2713 6.3080 7.6899 7.7440 8.0185 8.0373 k = 0.2375 0.1371-0.0000 ( 7167 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2542 -7.2542 -6.7899 -6.7895 -0.3022 -0.1492 0.7234 0.8735 1.0544 1.1719 1.8059 1.8377 2.2038 2.2426 2.6476 2.6537 6.2370 6.2526 6.2916 6.3007 7.6709 7.7018 8.0610 8.0753 k = 0.2500 0.1443-0.0000 ( 7173 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2343 -7.2343 -6.7817 -6.7813 -0.2867 -0.1161 0.6432 0.7983 0.9742 1.1067 1.7735 1.8062 2.1744 2.2167 2.6220 2.6281 6.2279 6.2344 6.3227 6.3401 7.6287 7.6427 8.1073 8.1466 k = 0.2625 0.1516-0.0000 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.2140 -7.2139 -6.7738 -6.7734 -0.2730 -0.0833 0.5666 0.7261 0.8955 1.0446 1.7426 1.7760 2.1446 2.1904 2.5961 2.6019 6.1990 6.2086 6.3576 6.3815 7.5742 7.5779 8.1616 8.2162 k = 0.2750 0.1588-0.0000 ( 7164 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.1933 -7.1933 -6.7662 -6.7657 -0.2618 -0.0517 0.4951 0.6574 0.8186 0.9867 1.7130 1.7472 2.1144 2.1635 2.5701 2.5754 6.1673 6.1766 6.3900 6.4158 7.5121 7.5148 8.2145 8.2762 k = 0.2875 0.1660-0.0000 ( 7162 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1827 -39.1820 -39.1820 -39.1819 -39.1819 -7.1724 -7.1724 -6.7589 -6.7584 -0.2534 -0.0230 0.4304 0.5922 0.7438 0.9340 1.6848 1.7198 2.0835 2.1357 2.5440 2.5488 6.1341 6.1424 6.4172 6.4434 7.4474 7.4540 8.2584 8.3104 k = 0.3000 0.1732-0.0000 ( 7166 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1827 -39.1820 -39.1820 -39.1819 -39.1819 -7.1514 -7.1514 -6.7520 -6.7515 -0.2486 -0.0002 0.3757 0.5308 0.6716 0.8872 1.6581 1.6938 2.0520 2.1071 2.5183 2.5223 6.1004 6.1076 6.4391 6.4647 7.3848 7.3941 8.2785 8.3026 k = 0.3125 0.1804-0.0000 ( 7174 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -7.1304 -7.1303 -6.7456 -6.7451 -0.2475 0.0119 0.3359 0.4730 0.6021 0.8472 1.6329 1.6693 2.0197 2.0774 2.4930 2.4963 6.0668 6.0730 6.4559 6.4804 7.3251 7.3362 8.2742 8.2879 k = 0.3250 0.1876-0.0000 ( 7166 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -7.1095 -7.1094 -6.7398 -6.7393 -0.2504 0.0081 0.3162 0.4188 0.5358 0.8146 1.6093 1.6463 1.9868 2.0467 2.4685 2.4709 6.0339 6.0392 6.4682 6.4910 7.2688 7.2811 8.2618 8.2716 k = 0.3375 0.1949-0.0000 ( 7168 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -7.0888 -7.0887 -6.7345 -6.7341 -0.2572 -0.0128 0.3178 0.3680 0.4730 0.7897 1.5872 1.6250 1.9531 2.0149 2.4449 2.4465 6.0022 6.0066 6.4763 6.4973 7.2162 7.2292 8.2470 8.2547 k = 0.3500 0.2021-0.0000 ( 7182 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -7.0685 -7.0684 -6.7300 -6.7295 -0.2675 -0.0461 0.3205 0.3357 0.4141 0.7722 1.5669 1.6052 1.9190 1.9820 2.4224 2.4232 5.9719 5.9757 6.4809 6.4999 7.1676 7.1809 8.2314 8.2377 k = 0.3625 0.2093-0.0000 ( 7174 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -7.0487 -7.0486 -6.7261 -6.7257 -0.2805 -0.0856 0.2761 0.3506 0.3723 0.7617 1.5483 1.5872 1.8846 1.9480 2.4012 2.4013 5.9434 5.9466 6.4827 6.4996 7.1230 7.1365 8.2158 8.2211 k = 0.3750 0.2165-0.0000 ( 7166 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -7.0295 -7.0294 -6.7230 -6.7225 -0.2955 -0.1268 0.2350 0.3043 0.4017 0.7572 1.5316 1.5709 1.8501 1.9133 2.3811 2.3816 5.9170 5.9196 6.4822 6.4970 7.0827 7.0959 8.2007 8.2052 k = 0.3875 0.2237-0.0000 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -7.0112 -7.0111 -6.7205 -6.7201 -0.3116 -0.1674 0.1972 0.2571 0.4393 0.7576 1.5170 1.5564 1.8160 1.8779 2.3625 2.3635 5.8926 5.8948 6.4799 6.4927 7.0465 7.0593 8.1864 8.1903 k = 0.4000 0.2309-0.0000 ( 7174 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9939 -6.9938 -6.7188 -6.7184 -0.3278 -0.2059 0.1628 0.2140 0.4788 0.7613 1.5046 1.5437 1.7827 1.8422 2.3458 2.3471 5.8706 5.8724 6.4763 6.4873 7.0146 7.0266 8.1732 8.1764 k = 0.4125 0.2382-0.0000 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9778 -6.9777 -6.7177 -6.7174 -0.3434 -0.2415 0.1321 0.1752 0.5189 0.7670 1.4947 1.5328 1.7507 1.8066 2.3310 2.3325 5.8509 5.8524 6.4721 6.4812 6.9868 6.9979 8.1611 8.1639 k = 0.4250 0.2454-0.0000 ( 7176 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9631 -6.9630 -6.7172 -6.7169 -0.3574 -0.2736 0.1053 0.1410 0.5587 0.7731 1.4874 1.5239 1.7206 1.7717 2.3182 2.3197 5.8338 5.8350 6.4675 6.4750 6.9632 6.9731 8.1505 8.1527 k = 0.4375 0.2526-0.0000 ( 7188 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1830 -39.1829 -39.1829 -39.1828 -39.1821 -39.1820 -39.1820 -39.1820 -6.9501 -6.9500 -6.7172 -6.7169 -0.3695 -0.3020 0.0826 0.1114 0.5972 0.7781 1.4829 1.5167 1.6932 1.7382 2.3074 2.3088 5.8191 5.8201 6.4630 6.4690 6.9435 6.9521 8.1413 8.1431 k = 0.4500 0.2598-0.0000 ( 7184 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1830 -39.1829 -39.1829 -39.1828 -39.1821 -39.1820 -39.1820 -39.1820 -6.9389 -6.9389 -6.7175 -6.7173 -0.3789 -0.3265 0.0642 0.0867 0.6339 0.7807 1.4813 1.5111 1.6693 1.7069 2.2986 2.2998 5.8071 5.8078 6.4589 6.4635 6.9278 6.9348 8.1337 8.1352 k = 0.4625 0.2670-0.0000 ( 7184 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1830 -39.1829 -39.1829 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9299 -6.9298 -6.7180 -6.7178 -0.3854 -0.3469 0.0502 0.0668 0.6678 0.7795 1.4826 1.5068 1.6498 1.6790 2.2918 2.2928 5.7977 5.7983 6.4555 6.4589 6.9159 6.9213 8.1278 8.1288 k = 0.4750 0.2742-0.0000 ( 7168 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9233 -6.9232 -6.7185 -6.7183 -0.3885 -0.3633 0.0409 0.0518 0.6984 0.7738 1.4860 1.5033 1.6359 1.6557 2.2870 2.2877 5.7910 5.7914 6.4531 6.4553 6.9077 6.9114 8.1236 8.1243 k = 0.4875 0.2815-0.0000 ( 7176 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9192 -6.9191 -6.7188 -6.7188 -0.3880 -0.3755 0.0363 0.0417 0.7248 0.7628 1.4908 1.4998 1.6288 1.6388 2.2842 2.2846 5.7870 5.7872 6.4518 6.4529 6.9032 6.9051 8.1211 8.1214 k = 0.5000 0.2887-0.0000 ( 7172 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9178 -6.9178 -6.7189 -6.7189 -0.3837 -0.3837 0.0366 0.0366 0.7464 0.7464 1.4956 1.4956 1.6296 1.6296 2.2834 2.2834 5.7858 5.7858 6.4517 6.4517 6.9023 6.9023 8.1204 8.1204 k = 0.5000 0.2887-0.0000 ( 7172 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9178 -6.9178 -6.7189 -6.7189 -0.3837 -0.3837 0.0366 0.0366 0.7464 0.7464 1.4956 1.4956 1.6296 1.6296 2.2834 2.2834 5.7858 5.7858 6.4517 6.4517 6.9023 6.9023 8.1204 8.1204 k = 0.4928 0.3012-0.0000 ( 7176 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9174 -6.9174 -6.7189 -6.7189 -0.3840 -0.3814 0.0370 0.0374 0.7408 0.7530 1.4833 1.4996 1.6277 1.6295 2.2774 2.2808 5.7906 5.7979 6.4575 6.4601 6.8989 6.9000 8.1165 8.1261 k = 0.4855 0.3138-0.0000 ( 7184 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9162 -6.9162 -6.7189 -6.7189 -0.3822 -0.3770 0.0384 0.0392 0.7359 0.7608 1.4625 1.4954 1.6241 1.6274 2.2631 2.2699 5.8122 5.8266 6.4768 6.4825 6.8906 6.8917 8.1149 8.1335 k = 0.4783 0.3263-0.0000 ( 7180 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9143 -6.9143 -6.7189 -6.7188 -0.3784 -0.3705 0.0410 0.0422 0.7317 0.7699 1.4335 1.4839 1.6188 1.6230 2.2408 2.2512 5.8502 5.8716 6.5079 6.5183 6.8779 6.8790 8.1159 8.1424 k = 0.4710 0.3389-0.0000 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9117 -6.9116 -6.7189 -6.7188 -0.3727 -0.3619 0.0446 0.0463 0.7278 0.7803 1.3968 1.4659 1.6118 1.6164 2.2111 2.2254 5.9040 5.9323 6.5476 6.5657 6.8596 6.8673 8.1201 8.1528 k = 0.4638 0.3514-0.0000 ( 7166 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9083 -6.9083 -6.7189 -6.7188 -0.3650 -0.3512 0.0491 0.0515 0.7236 0.7921 1.3532 1.4424 1.6029 1.6076 2.1750 2.1935 5.9729 6.0076 6.5891 6.6210 6.8403 6.8622 8.1279 8.1648 k = 0.4565 0.3640-0.0000 ( 7166 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9042 -6.9042 -6.7190 -6.7188 -0.3555 -0.3385 0.0545 0.0577 0.7189 0.8054 1.3036 1.4147 1.5921 1.5964 2.1335 2.1565 6.0558 6.0967 6.6200 6.6733 6.8304 6.8755 8.1397 8.1787 k = 0.4493 0.3765-0.0000 ( 7166 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8994 -6.8994 -6.7191 -6.7190 -0.3442 -0.3236 0.0607 0.0648 0.7129 0.8202 1.2490 1.3844 1.5791 1.5828 2.0877 2.1157 6.1516 6.1985 6.6281 6.6943 6.8574 6.9192 8.1559 8.1946 k = 0.4420 0.3891-0.0000 ( 7176 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8940 -6.8940 -6.7194 -6.7192 -0.3312 -0.3068 0.0676 0.0729 0.7049 0.8365 1.1904 1.3529 1.5640 1.5669 2.0389 2.0722 6.2592 6.3120 6.6143 6.6769 6.9280 6.9917 8.1767 8.2128 k = 0.4348 0.4016-0.0000 ( 7182 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8880 -6.8879 -6.7198 -6.7196 -0.3167 -0.2879 0.0750 0.0817 0.6942 0.8542 1.1288 1.3221 1.5464 1.5486 1.9882 2.0272 6.3772 6.4357 6.5878 6.6434 7.0192 7.0835 8.2026 8.2337 k = 0.4275 0.4142-0.0000 ( 7174 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8814 -6.8813 -6.7204 -6.7202 -0.3008 -0.2671 0.0827 0.0914 0.6799 0.8733 1.0650 1.2934 1.5263 1.5281 1.9370 1.9817 6.5034 6.5477 6.5760 6.6050 7.1198 7.1874 8.2340 8.2575 k = 0.4203 0.4267-0.0000 ( 7178 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8743 -6.8742 -6.7212 -6.7210 -0.2837 -0.2444 0.0905 0.1018 0.6613 0.8939 1.0000 1.2685 1.5037 1.5057 1.8861 1.9367 6.5162 6.5583 6.6437 6.7130 7.2250 7.2988 8.2712 8.2844 k = 0.4130 0.4393-0.0000 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8667 -6.8666 -6.7224 -6.7222 -0.2657 -0.2199 0.0983 0.1130 0.6380 0.9158 0.9346 1.2481 1.4786 1.4820 1.8367 1.8927 6.4789 6.5176 6.7841 6.8621 7.3318 7.4145 8.3148 8.3150 k = 0.4058 0.4518-0.0000 ( 7190 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8587 -6.8586 -6.7239 -6.7236 -0.2470 -0.1936 0.1059 0.1248 0.6100 0.8693 0.9389 1.2328 1.4513 1.4578 1.7894 1.8502 6.4419 6.4762 6.9309 7.0176 7.4380 7.5316 8.3493 8.3650 k = 0.3986 0.4644-0.0000 ( 7194 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8503 -6.8502 -6.7258 -6.7255 -0.2281 -0.1658 0.1130 0.1375 0.5776 0.8050 0.9632 1.2223 1.4222 1.4343 1.7448 1.8092 6.4061 6.4363 7.0806 7.1780 7.5415 7.6474 8.3878 8.4222 k = 0.3913 0.4769-0.0000 ( 7190 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.8416 -6.8415 -6.7281 -6.7279 -0.2093 -0.1366 0.1196 0.1512 0.5416 0.7422 0.9884 1.2158 1.3922 1.4131 1.7032 1.7698 6.3726 6.3987 7.2305 7.3418 7.6414 7.7593 8.4306 8.4858 k = 0.3841 0.4895-0.0000 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8327 -6.8326 -6.7310 -6.7307 -0.1913 -0.1064 0.1255 0.1662 0.5029 0.6814 1.0143 1.2119 1.3620 1.3960 1.6647 1.7318 6.3418 6.3640 7.3765 7.5071 7.7376 7.8648 8.4773 8.5551 k = 0.3768 0.5020-0.0000 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8237 -6.8235 -6.7344 -6.7341 -0.1747 -0.0756 0.1310 0.1828 0.4626 0.6231 1.0407 1.2090 1.3325 1.3850 1.6294 1.6950 6.3143 6.3328 7.5127 7.6709 7.8322 7.9616 8.5269 8.6279 k = 0.3696 0.5146-0.0000 ( 7172 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8145 -6.8143 -6.7384 -6.7382 -0.1599 -0.0451 0.1365 0.2014 0.4214 0.5675 1.0673 1.2059 1.3047 1.3813 1.5974 1.6591 6.2905 6.3054 7.6312 7.8289 7.9284 8.0489 8.5758 8.7011 k = 0.3623 0.5271-0.0000 ( 7174 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8053 -6.8051 -6.7432 -6.7429 -0.1477 -0.0162 0.1433 0.2225 0.3804 0.5152 1.0936 1.2023 1.2788 1.3855 1.5692 1.6241 6.2707 6.2823 7.7252 7.9730 8.0274 8.1274 8.6166 8.7626 k = 0.3551 0.5397-0.0000 ( 7170 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7962 -6.7960 -6.7486 -6.7484 -0.1382 0.0086 0.1535 0.2462 0.3404 0.4663 1.1191 1.1986 1.2552 1.3964 1.5457 1.5902 6.2554 6.2637 7.7929 8.0895 8.1229 8.2000 8.6393 8.7607 k = 0.3478 0.5522-0.0000 ( 7166 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7872 -6.7869 -6.7549 -6.7546 -0.1317 0.0267 0.1700 0.2703 0.3045 0.4209 1.1433 1.1959 1.2333 1.4123 1.5281 1.5581 6.2445 6.2499 7.8373 8.1666 8.2029 8.2612 8.6536 8.7490 k = 0.3406 0.5648-0.0000 ( 7171 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7784 -6.7781 -6.7619 -6.7617 -0.1280 0.0365 0.1942 0.2587 0.3095 0.3794 1.1657 1.1950 1.2123 1.4293 1.5178 1.5305 6.2385 6.2410 7.8622 8.2103 8.2571 8.2891 8.6817 8.7370 k = 0.3333 0.5774-0.0000 ( 7185 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7703 -6.7698 -6.7694 -6.7694 -0.1269 0.0392 0.2251 0.2251 0.3420 0.3420 1.1817 1.1959 1.1959 1.4384 1.5160 1.5160 6.2372 6.2372 7.8700 8.2265 8.2834 8.2834 8.7158 8.7158 k = 0.3333 0.5774-0.0000 ( 7185 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7703 -6.7698 -6.7694 -6.7694 -0.1269 0.0392 0.2251 0.2251 0.3420 0.3420 1.1817 1.1959 1.1959 1.4384 1.5160 1.5160 6.2372 6.2372 7.8700 8.2265 8.2834 8.2834 8.7158 8.7158 k = 0.3261 0.5648-0.0000 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7787 -6.7784 -6.7617 -6.7614 -0.1279 0.0373 0.1928 0.2592 0.3102 0.3790 1.1640 1.1982 1.2105 1.4284 1.5234 1.5260 6.2386 6.2409 7.8628 8.2068 8.2715 8.2866 8.6807 8.7301 k = 0.3188 0.5522-0.0000 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7884 -6.7882 -6.7539 -6.7536 -0.1303 0.0330 0.1633 0.2698 0.3086 0.4191 1.1384 1.2003 1.2309 1.4086 1.5393 1.5522 6.2451 6.2496 7.8427 8.1588 8.2597 8.2728 8.6341 8.7124 k = 0.3116 0.5397-0.0000 ( 7163 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7991 -6.7988 -6.7467 -6.7464 -0.1338 0.0278 0.1372 0.2470 0.3459 0.4620 1.1105 1.1994 1.2528 1.3909 1.5626 1.5852 6.2569 6.2633 7.8119 8.0992 8.2394 8.2465 8.5802 8.6703 k = 0.3043 0.5271-0.0000 ( 7165 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8107 -6.8105 -6.7400 -6.7396 -0.1380 0.0229 0.1150 0.2251 0.3866 0.5073 1.0813 1.1923 1.2766 1.3813 1.5919 1.6217 6.2739 6.2819 7.7725 8.0344 8.2091 8.2104 8.5216 8.6145 k = 0.2971 0.5146-0.0000 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8233 -6.8231 -6.7339 -6.7335 -0.1424 0.0193 0.0971 0.2068 0.4268 0.5546 1.0523 1.1768 1.3026 1.3828 1.6258 1.6607 6.2959 6.3053 7.7267 7.9671 8.1663 8.1699 8.4598 8.5496 k = 0.2899 0.5020-0.0000 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8368 -6.8366 -6.7285 -6.7281 -0.1470 0.0174 0.0842 0.1925 0.4649 0.6036 1.0253 1.1539 1.3309 1.3949 1.6632 1.7014 6.3230 6.3336 7.6763 7.8988 8.1158 8.1237 8.3955 8.4780 k = 0.2826 0.4895-0.0000 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8513 -6.8511 -6.7238 -6.7234 -0.1516 0.0179 0.0765 0.1825 0.4987 0.6540 1.0024 1.1261 1.3615 1.4151 1.7034 1.7436 6.3551 6.3665 7.6226 7.8304 8.0604 8.0723 8.3289 8.4011 k = 0.2754 0.4769-0.0000 ( 7163 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8666 -6.8664 -6.7199 -6.7195 -0.1562 0.0208 0.0744 0.1770 0.5256 0.7052 0.9865 1.0961 1.3943 1.4411 1.7457 1.7870 6.3919 6.4039 7.5668 7.7624 8.0014 8.0171 8.2603 8.3208 k = 0.2681 0.4644-0.0000 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.8829 -6.8827 -6.7168 -6.7163 -0.1607 0.0263 0.0782 0.1764 0.5429 0.7567 0.9808 1.0660 1.4289 1.4713 1.7897 1.8312 6.4335 6.4457 7.5098 7.6953 7.9400 7.9594 8.1899 8.2383 k = 0.2609 0.4518-0.0000 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.9000 -6.8998 -6.7145 -6.7140 -0.1648 0.0343 0.0878 0.1809 0.5485 0.8070 0.9874 1.0382 1.4653 1.5046 1.8349 1.8763 6.4795 6.4917 7.4523 7.6294 7.8770 7.9003 8.1181 8.1549 k = 0.2536 0.4393-0.0000 ( 7159 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.9178 -6.9177 -6.7130 -6.7125 -0.1686 0.0448 0.1032 0.1907 0.5424 0.8527 1.0067 1.0168 1.5031 1.5403 1.8810 1.9219 6.5299 6.5415 7.3947 7.5648 7.8132 7.8407 8.0455 8.0714 k = 0.2464 0.4267-0.0000 ( 7159 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.9365 -6.9363 -6.7124 -6.7119 -0.1718 0.0574 0.1242 0.2058 0.5266 0.8845 1.0117 1.0371 1.5421 1.5779 1.9279 1.9679 6.5843 6.5950 7.3375 7.5016 7.7490 7.7813 7.9729 7.9886 k = 0.2391 0.4142-0.0000 ( 7165 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1819 -6.9557 -6.9556 -6.7127 -6.7122 -0.1747 0.0716 0.1506 0.2265 0.5043 0.8911 1.0348 1.0759 1.5820 1.6168 1.9752 2.0141 6.6425 6.6516 7.2809 7.4398 7.6849 7.7228 7.9009 7.9072 k = 0.2319 0.4016-0.0000 ( 7157 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -6.9756 -6.9755 -6.7138 -6.7133 -0.1771 0.0867 0.1822 0.2526 0.4789 0.8806 1.0784 1.1209 1.6226 1.6567 2.0227 2.0603 6.7041 6.7109 7.2248 7.3792 7.6212 7.6656 7.8279 7.8304 k = 0.2246 0.3891-0.0000 ( 7155 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -6.9960 -6.9959 -6.7157 -6.7152 -0.1794 0.1016 0.2188 0.2840 0.4537 0.8658 1.1302 1.1700 1.6638 1.6974 2.0703 2.1065 6.7687 6.7720 7.1694 7.3195 7.5582 7.6106 7.7515 7.7621 k = 0.2174 0.3765-0.0000 ( 7155 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -7.0169 -7.0168 -6.7185 -6.7180 -0.1818 0.1140 0.2603 0.3203 0.4324 0.8523 1.1851 1.2220 1.7052 1.7385 2.1178 2.1525 6.8339 6.8354 7.1147 7.2604 7.4962 7.5585 7.6788 7.6971 k = 0.2101 0.3640-0.0000 ( 7157 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -7.0382 -7.0381 -6.7220 -6.7215 -0.1847 0.1212 0.3063 0.3603 0.4199 0.8423 1.2414 1.2758 1.7467 1.7798 2.1650 2.1980 6.8942 6.9021 7.0613 7.2018 7.4360 7.5106 7.6108 7.6360 k = 0.2029 0.3514-0.0000 ( 7169 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -7.0597 -7.0596 -6.7263 -6.7258 -0.1885 0.1199 0.3568 0.3971 0.4270 0.8371 1.2981 1.3307 1.7881 1.8212 2.2117 2.2430 6.9485 6.9580 7.0173 7.1445 7.3794 7.4694 7.5486 7.5797 k = 0.1957 0.3389-0.0000 ( 7173 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -7.0815 -7.0814 -6.7313 -6.7308 -0.1936 0.1084 0.4116 0.4186 0.4677 0.8376 1.3547 1.3863 1.8293 1.8623 2.2578 2.2873 6.9368 6.9849 7.0431 7.0945 7.3314 7.4394 7.4933 7.5292 k = 0.1884 0.3263-0.0000 ( 7169 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -7.1033 -7.1032 -6.7369 -6.7364 -0.2003 0.0878 0.4444 0.4704 0.5215 0.8444 1.4111 1.4421 1.8702 1.9031 2.3031 2.3308 6.8820 6.9729 7.0735 7.0805 7.3055 7.4281 7.4456 7.4855 k = 0.1812 0.3138-0.0000 ( 7163 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1828 -39.1827 -39.1820 -39.1820 -39.1819 -39.1819 -7.1252 -7.1251 -6.7431 -6.7426 -0.2087 0.0605 0.4798 0.5331 0.5806 0.8578 1.4668 1.4977 1.9105 1.9435 2.3475 2.3734 6.8225 6.9180 7.0677 7.0789 7.3200 7.4059 7.4429 7.4511 k = 0.1739 0.3012-0.0000 ( 7159 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4705 -39.1830 -39.1829 -39.1827 -39.1827 -39.1820 -39.1820 -39.1819 -39.1819 -7.1470 -7.1470 -6.7498 -6.7493 -0.2191 0.0290 0.5234 0.5993 0.6440 0.8779 1.5218 1.5530 1.9503 1.9832 2.3909 2.4149 6.7597 6.8500 7.0425 7.0472 7.3563 7.3741 7.4385 7.4832 k = 0.1667 0.2887-0.0000 ( 7153 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1820 -39.1820 -39.1819 -39.1819 -7.1687 -7.1686 -6.7570 -6.7565 -0.2314 -0.0048 0.5735 0.6688 0.7111 0.9049 1.5758 1.6076 1.9895 2.0222 2.4330 2.4551 6.6938 6.7763 6.9906 7.0114 7.3500 7.3617 7.4801 7.5413 k = 0.1594 0.2761-0.0000 ( 7155 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.1901 -7.1901 -6.7645 -6.7641 -0.2454 -0.0398 0.6292 0.7414 0.7815 0.9385 1.6287 1.6613 2.0280 2.0604 2.4738 2.4941 6.6246 6.6988 6.9324 6.9655 7.3331 7.3493 7.5527 7.6096 k = 0.1522 0.2636-0.0000 ( 7163 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2112 -7.2112 -6.7724 -6.7720 -0.2609 -0.0751 0.6895 0.8166 0.8548 0.9784 1.6803 1.7139 2.0659 2.0979 2.5132 2.5316 6.5522 6.6180 6.8709 6.9130 7.3230 7.3386 7.6326 7.6828 k = 0.1449 0.2510-0.0000 ( 7157 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2319 -7.2319 -6.7805 -6.7801 -0.2778 -0.1102 0.7538 0.8939 0.9307 1.0245 1.7305 1.7653 2.1033 2.1346 2.5510 2.5677 6.4765 6.5346 6.8069 6.8557 7.3194 7.3331 7.7139 7.7574 k = 0.1377 0.2385-0.0000 ( 7163 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2521 -7.2521 -6.7888 -6.7884 -0.2956 -0.1447 0.8216 0.9729 1.0088 1.0763 1.7793 1.8153 2.1401 2.1705 2.5872 2.6021 6.3979 6.4487 6.7405 6.7943 7.3220 7.3333 7.7939 7.8309 k = 0.1304 0.2259-0.0000 ( 7179 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4705 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2718 -7.2718 -6.7972 -6.7968 -0.3141 -0.1784 0.8924 1.0525 1.0886 1.1336 1.8265 1.8637 2.1767 2.2058 2.6216 2.6348 6.3164 6.3605 6.6717 6.7292 7.3303 7.3395 7.8703 7.9011 k = 0.1232 0.2134-0.0000 ( 7181 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.2908 -7.2908 -6.8056 -6.8052 -0.3329 -0.2110 0.9657 1.1318 1.1696 1.1965 1.8722 1.9104 2.2133 2.2407 2.6542 2.6658 6.2323 6.2704 6.6003 6.6604 7.3443 7.3513 7.9411 7.9659 k = 0.1159 0.2008-0.0000 ( 7181 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.3092 -7.3091 -6.8139 -6.8136 -0.3518 -0.2423 1.0409 1.2091 1.2512 1.2652 1.9164 1.9553 2.2501 2.2754 2.6850 2.6951 6.1458 6.1783 6.5261 6.5880 7.3634 7.3686 8.0038 8.0232 k = 0.1087 0.1883-0.0000 ( 7177 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.3267 -7.3267 -6.8221 -6.8218 -0.3705 -0.2723 1.1175 1.2835 1.3327 1.3392 1.9591 1.9982 2.2876 2.3101 2.7139 2.7224 6.0572 6.0846 6.4491 6.5121 7.3874 7.3911 8.0560 8.0706 k = 0.1014 0.1757-0.0000 ( 7181 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3434 -7.3434 -6.8301 -6.8298 -0.3887 -0.3008 1.1949 1.3554 1.4134 1.4165 2.0002 2.0390 2.3263 2.3454 2.7408 2.7480 5.9668 5.9895 6.3695 6.4329 7.4159 7.4182 8.0948 8.1057 k = 0.0942 0.1632-0.0000 ( 7193 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3592 -7.3592 -6.8379 -6.8376 -0.4064 -0.3278 1.2723 1.4253 1.4925 1.4948 2.0400 2.0777 2.3666 2.3816 2.7657 2.7716 5.8748 5.8934 6.2877 6.3508 7.4484 7.4497 8.1177 8.1257 k = 0.0870 0.1506-0.0000 ( 7189 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3741 -7.3741 -6.8454 -6.8451 -0.4231 -0.3532 1.3491 1.4933 1.5692 1.5720 2.0784 2.1142 2.4090 2.4195 2.7886 2.7933 5.7819 5.7965 6.2041 6.2663 7.4844 7.4849 8.1232 8.1289 k = 0.0797 0.1381-0.0000 ( 7209 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.3880 -7.3880 -6.8525 -6.8522 -0.4389 -0.3768 1.4242 1.5590 1.6425 1.6466 2.1156 2.1486 2.4538 2.4594 2.8095 2.8131 5.6885 5.6996 6.1196 6.1802 7.5231 7.5233 8.1126 8.1162 k = 0.0725 0.1255-0.0000 ( 7213 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.4008 -7.4008 -6.8591 -6.8589 -0.4536 -0.3987 1.4968 1.6212 1.7115 1.7172 2.1516 2.1810 2.5013 2.5020 2.8284 2.8309 5.5954 5.6033 6.0353 6.0936 7.5638 7.5645 8.0898 8.0915 k = 0.0652 0.1130-0.0000 ( 7223 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.4125 -7.4125 -6.8653 -6.8651 -0.4670 -0.4189 1.5658 1.6791 1.7755 1.7828 2.1863 2.2115 2.5475 2.5513 2.8454 2.8469 5.5034 5.5085 5.9523 6.0076 7.6060 7.6071 8.0597 8.0599 k = 0.0580 0.1004-0.0000 ( 7219 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.4231 -7.4231 -6.8709 -6.8707 -0.4790 -0.4372 1.6302 1.7314 1.8338 1.8425 2.2199 2.2405 2.5957 2.6032 2.8604 2.8610 5.4136 5.4163 5.8720 5.9237 7.6489 7.6502 8.0259 8.0268 k = 0.0507 0.0879-0.0000 ( 7209 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4325 -7.4325 -6.8760 -6.8758 -0.4895 -0.4537 1.6889 1.7774 1.8859 1.8955 2.2522 2.2680 2.6459 2.6560 2.8733 2.8735 5.3274 5.3281 5.7960 5.8434 7.6913 7.6928 7.9926 7.9942 k = 0.0435 0.0753-0.0000 ( 7205 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4408 -7.4408 -6.8805 -6.8803 -0.4985 -0.4684 1.7412 1.8164 1.9313 1.9414 2.2830 2.2943 2.6969 2.7082 2.8837 2.8848 5.2454 5.2462 5.7259 5.7684 7.7322 7.7337 7.9620 7.9639 k = 0.0362 0.0628-0.0000 ( 7203 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4478 -7.4478 -6.8843 -6.8842 -0.5058 -0.4811 1.7864 1.8482 1.9699 1.9796 2.3116 2.3189 2.7467 2.7578 2.8924 2.8944 5.1701 5.1720 5.6635 5.7002 7.7702 7.7716 7.9351 7.9370 k = 0.0290 0.0502-0.0000 ( 7195 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4705 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4535 -7.4535 -6.8875 -6.8874 -0.5115 -0.4920 1.8242 1.8729 2.0014 2.0101 2.3374 2.3415 2.7929 2.8024 2.8995 2.9024 5.1043 5.1067 5.6104 5.6407 7.8039 7.8052 7.9128 7.9145 k = 0.0217 0.0377-0.0000 ( 7207 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4580 -7.4580 -6.8900 -6.8899 -0.5155 -0.5010 1.8546 1.8905 2.0259 2.0329 2.3591 2.3610 2.8329 2.8395 2.9052 2.9090 5.0501 5.0525 5.5681 5.5915 7.8319 7.8330 7.8954 7.8968 k = 0.0145 0.0251-0.0000 ( 7211 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.4613 -7.4613 -6.8918 -6.8917 -0.5177 -0.5081 1.8777 1.9013 2.0436 2.0485 2.3757 2.3762 2.8636 2.8668 2.9099 2.9143 5.0097 5.0116 5.5380 5.5540 7.8525 7.8532 7.8837 7.8846 k = 0.0072 0.0126-0.0000 ( 7221 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.4632 -7.4632 -6.8928 -6.8928 -0.5180 -0.5133 1.8937 1.9054 2.0547 2.0572 2.3859 2.3860 2.8823 2.8829 2.9143 2.9177 4.9849 4.9859 5.5212 5.5293 7.8634 7.8636 7.8789 7.8792 k = 0.0000 0.0000 0.0000 ( 7235 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1830 -39.1830 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.4639 -7.4639 -6.8932 -6.8932 -0.5166 -0.5166 1.9029 1.9029 2.0592 2.0592 2.3894 2.3894 2.8881 2.8881 2.9178 2.9178 4.9768 4.9768 5.5182 5.5182 7.8652 7.8652 7.8791 7.8791 k = 0.0000 0.0000 0.0000 ( 7235 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1830 -39.1830 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.4639 -7.4639 -6.8932 -6.8932 -0.5166 -0.5166 1.9029 1.9029 2.0592 2.0592 2.3894 2.3894 2.8881 2.8881 2.9178 2.9178 4.9768 4.9768 5.5182 5.5182 7.8652 7.8652 7.8791 7.8791 k = 0.0000 0.0000 0.0147 ( 7217 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.4632 -7.4632 -6.8941 -6.8941 -0.5136 -0.5136 1.9035 1.9035 2.0564 2.0564 2.3900 2.3900 2.8874 2.8874 2.9098 2.9098 4.9866 4.9866 5.5197 5.5197 7.8654 7.8654 7.8792 7.8792 k = 0.0000 0.0000 0.0294 ( 7187 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4705 -39.4705 -39.4704 -39.4704 -39.1829 -39.1829 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.4611 -7.4611 -6.8970 -6.8970 -0.5046 -0.5046 1.9053 1.9053 2.0480 2.0480 2.3919 2.3919 2.8850 2.8850 2.8864 2.8864 5.0154 5.0154 5.5240 5.5240 7.8659 7.8659 7.8796 7.8796 k = 0.0000 0.0000 0.0441 ( 7193 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4705 -39.4705 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.4577 -7.4577 -6.9017 -6.9017 -0.4897 -0.4897 1.9083 1.9083 2.0337 2.0337 2.3950 2.3950 2.8497 2.8497 2.8811 2.8811 5.0613 5.0613 5.5311 5.5311 7.8667 7.8667 7.8803 7.8803 k = 0.0000 0.0000 0.0588 ( 7181 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4705 -39.4705 -39.4704 -39.4704 -39.1829 -39.1829 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.4530 -7.4530 -6.9082 -6.9082 -0.4689 -0.4689 1.9124 1.9124 2.0128 2.0128 2.3993 2.3993 2.8024 2.8024 2.8757 2.8757 5.1217 5.1217 5.5411 5.5411 7.8680 7.8680 7.8814 7.8814 k = 0.0000 0.0000 0.0735 ( 7193 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4705 -39.4705 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.4469 -7.4469 -6.9165 -6.9165 -0.4423 -0.4423 1.9178 1.9178 1.9848 1.9848 2.4049 2.4049 2.7479 2.7479 2.8688 2.8688 5.1938 5.1938 5.5538 5.5538 7.8700 7.8700 7.8831 7.8831 k = 0.0000 0.0000 0.0882 ( 7193 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4705 -39.4705 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.4395 -7.4395 -6.9265 -6.9265 -0.4100 -0.4100 1.9243 1.9243 1.9488 1.9488 2.4116 2.4116 2.6896 2.6896 2.8605 2.8605 5.2746 5.2746 5.5692 5.5692 7.8728 7.8728 7.8856 7.8856 k = 0.0000 0.0000 0.1029 ( 7205 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4705 -39.4705 -39.4704 -39.4704 -39.1830 -39.1830 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.4309 -7.4309 -6.9380 -6.9380 -0.3721 -0.3721 1.9040 1.9040 1.9319 1.9319 2.4194 2.4194 2.6305 2.6305 2.8508 2.8508 5.3610 5.3610 5.5873 5.5873 7.8767 7.8767 7.8890 7.8890 k = 0.0000 0.0000 0.1176 ( 7235 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4705 -39.4705 -39.1830 -39.1830 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.4210 -7.4210 -6.9511 -6.9511 -0.3287 -0.3287 1.8499 1.8499 1.9406 1.9406 2.4284 2.4284 2.5732 2.5732 2.8399 2.8399 5.4503 5.4503 5.6078 5.6078 7.8817 7.8817 7.8934 7.8934 k = 0.0000 0.0000 0.1323 ( 7217 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1829 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.4098 -7.4098 -6.9656 -6.9656 -0.2800 -0.2800 1.7862 1.7862 1.9504 1.9504 2.4385 2.4385 2.5195 2.5195 2.8277 2.8277 5.5400 5.5400 5.6307 5.6307 7.8883 7.8883 7.8992 7.8992 k = 0.0000 0.0000 0.1470 ( 7217 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1829 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.3975 -7.3975 -6.9814 -6.9814 -0.2261 -0.2261 1.7135 1.7135 1.9613 1.9613 2.4496 2.4496 2.4705 2.4705 2.8144 2.8144 5.6274 5.6274 5.6559 5.6559 7.8964 7.8964 7.9065 7.9065 k = 0.0000 0.0000 0.1617 ( 7217 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.3841 -7.3841 -6.9983 -6.9983 -0.1672 -0.1672 1.6327 1.6327 1.9732 1.9732 2.4262 2.4262 2.4618 2.4618 2.8001 2.8001 5.6831 5.6831 5.7102 5.7102 7.9064 7.9064 7.9151 7.9151 k = 0.0000 0.0000 0.1764 ( 7205 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1829 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1819 -39.1819 -7.3696 -7.3696 -7.0162 -7.0162 -0.1034 -0.1034 1.5450 1.5450 1.9862 1.9862 2.3865 2.3865 2.4748 2.4748 2.7849 2.7849 5.7121 5.7121 5.7861 5.7861 7.9184 7.9184 7.9253 7.9253 k = 0.0000 0.0000 0.1911 ( 7199 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1829 -39.1829 -39.1827 -39.1827 -39.1819 -39.1819 -39.1818 -39.1818 -7.3541 -7.3541 -7.0351 -7.0351 -0.0351 -0.0351 1.4520 1.4520 2.0001 2.0001 2.3508 2.3508 2.4888 2.4888 2.7689 2.7689 5.7427 5.7427 5.8529 5.8529 7.9324 7.9324 7.9372 7.9372 k = 0.0000 0.0000 0.2058 ( 7174 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1829 -39.1829 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.3376 -7.3376 -7.0546 -7.0546 0.0376 0.0376 1.3550 1.3550 2.0149 2.0149 2.3182 2.3182 2.5036 2.5036 2.7521 2.7521 5.7744 5.7744 5.9091 5.9091 7.9486 7.9486 7.9514 7.9514 k = 0.0000 0.0000 0.2205 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1829 -39.1829 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.3203 -7.3203 -7.0749 -7.0749 0.1145 0.1145 1.2552 1.2552 2.0306 2.0306 2.2884 2.2884 2.5192 2.5192 2.7347 2.7347 5.8070 5.8070 5.9534 5.9534 7.9671 7.9671 7.9683 7.9683 k = 0.0000 0.0000 0.2352 ( 7180 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1828 -39.1828 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.3021 -7.3021 -7.0956 -7.0956 0.1953 0.1953 1.1538 1.1538 2.0472 2.0472 2.2606 2.2606 2.5354 2.5354 2.7169 2.7169 5.8398 5.8398 5.9852 5.9852 7.9878 7.9878 7.9881 7.9881 k = 0.0000 0.0000 0.2499 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1828 -39.1828 -39.1827 -39.1827 -39.1818 -39.1818 -39.1818 -39.1818 -7.2831 -7.2831 -7.1166 -7.1166 0.2798 0.2798 1.0516 1.0516 2.0646 2.0646 2.2345 2.2345 2.5523 2.5523 2.6987 2.6987 5.8724 5.8724 6.0049 6.0049 8.0104 8.0104 8.0109 8.0109 k = 0.0000 0.0000 0.2646 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.2636 -7.2636 -7.1379 -7.1379 0.3678 0.3678 0.9495 0.9495 2.0829 2.0829 2.2099 2.2099 2.5697 2.5697 2.6802 2.6802 5.9040 5.9040 6.0131 6.0131 8.0351 8.0351 8.0364 8.0364 k = 0.0000 0.0000 0.2793 ( 7192 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.2434 -7.2434 -7.1593 -7.1593 0.4589 0.4589 0.8480 0.8480 2.1019 2.1019 2.1864 2.1864 2.5876 2.5876 2.6616 2.6616 5.9338 5.9338 6.0113 6.0113 8.0619 8.0619 8.0641 8.0641 k = 0.0000 0.0000 0.2940 ( 7192 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.2228 -7.2228 -7.1807 -7.1807 0.5528 0.5528 0.7477 0.7477 2.1218 2.1218 2.1640 2.1640 2.6058 2.6058 2.6429 2.6429 5.9607 5.9607 6.0009 6.0009 8.0910 8.0910 8.0941 8.0941 k = 0.0000 0.0000 0.3087 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.2019 -7.2019 -7.2019 -7.2019 0.6492 0.6492 0.6492 0.6492 2.1425 2.1425 2.1425 2.1425 2.6242 2.6242 2.6242 2.6242 5.9835 5.9835 5.9835 5.9835 8.1221 8.1221 8.1221 8.1221 k = 0.0000 0.0000 0.3087 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.2019 -7.2019 -7.2019 -7.2019 0.6492 0.6492 0.6492 0.6492 2.1425 2.1425 2.1425 2.1425 2.6242 2.6242 2.6242 2.6242 5.9835 5.9835 5.9835 5.9835 8.1221 8.1221 8.1221 8.1221 k = 0.0125 0.0072 0.3087 ( 7198 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.2013 -7.2013 -7.2013 -7.2013 0.6454 0.6454 0.6522 0.6522 2.1336 2.1336 2.1463 2.1463 2.6211 2.6211 2.6212 2.6212 5.9859 5.9859 5.9941 5.9941 8.1076 8.1076 8.1102 8.1102 k = 0.0250 0.0144 0.3087 ( 7202 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1998 -7.1998 -7.1998 -7.1998 0.6407 0.6407 0.6542 0.6542 2.1196 2.1196 2.1451 2.1451 2.6119 2.6119 2.6123 2.6123 6.0010 6.0010 6.0173 6.0173 8.0695 8.0695 8.0740 8.0740 k = 0.0375 0.0217 0.3087 ( 7198 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1971 -7.1971 -7.1971 -7.1971 0.6350 0.6350 0.6553 0.6553 2.1005 2.1005 2.1391 2.1391 2.5970 2.5970 2.5982 2.5982 6.0285 6.0285 6.0525 6.0525 8.0159 8.0159 8.0215 8.0215 k = 0.0500 0.0289 0.3087 ( 7198 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1935 -7.1935 -7.1935 -7.1935 0.6282 0.6282 0.6553 0.6553 2.0763 2.0763 2.1282 2.1282 2.5769 2.5769 2.5796 2.5796 6.0673 6.0673 6.0987 6.0987 7.9532 7.9532 7.9594 7.9594 k = 0.0625 0.0361 0.3087 ( 7182 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1888 -7.1888 -7.1888 -7.1888 0.6202 0.6202 0.6541 0.6541 2.0473 2.0473 2.1126 2.1126 2.5527 2.5527 2.5575 2.5575 6.1162 6.1162 6.1546 6.1546 7.8858 7.8858 7.8924 7.8924 k = 0.0750 0.0433 0.3087 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1831 -7.1831 -7.1831 -7.1831 0.6107 0.6107 0.6514 0.6514 2.0138 2.0138 2.0926 2.0926 2.5253 2.5253 2.5328 2.5328 6.1735 6.1735 6.2183 6.2183 7.8168 7.8168 7.8236 7.8236 k = 0.0875 0.0505 0.3087 ( 7168 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1765 -7.1765 -7.1765 -7.1765 0.5996 0.5996 0.6470 0.6470 1.9763 1.9763 2.0684 2.0684 2.4958 2.4958 2.5064 2.5064 6.2373 6.2373 6.2879 6.2879 7.7486 7.7486 7.7555 7.7555 k = 0.1000 0.0577 0.3087 ( 7176 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1689 -7.1689 -7.1689 -7.1689 0.5865 0.5865 0.6405 0.6405 1.9357 1.9357 2.0404 2.0404 2.4651 2.4651 2.4789 2.4789 6.3051 6.3051 6.3609 6.3609 7.6833 7.6833 7.6903 7.6903 k = 0.1125 0.0650 0.3087 ( 7180 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1604 -7.1604 -7.1603 -7.1603 0.5713 0.5713 0.6316 0.6316 1.8928 1.8928 2.0093 2.0093 2.4340 2.4340 2.4509 2.4509 6.3740 6.3740 6.4342 6.4342 7.6230 7.6230 7.6306 7.6306 k = 0.1250 0.0722 0.3087 ( 7178 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1818 -7.1510 -7.1510 -7.1510 -7.1510 0.5536 0.5536 0.6197 0.6197 1.8488 1.8488 1.9758 1.9758 2.4031 2.4031 2.4228 2.4228 6.4406 6.4406 6.5040 6.5040 7.5703 7.5703 7.5791 7.5791 k = 0.1375 0.0794 0.3087 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1408 -7.1408 -7.1408 -7.1408 0.5331 0.5331 0.6046 0.6046 1.8047 1.8047 1.9410 1.9410 2.3728 2.3728 2.3948 2.3948 6.5005 6.5005 6.5657 6.5657 7.5280 7.5280 7.5391 7.5391 k = 0.1500 0.0866 0.3087 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.1298 -7.1298 -7.1298 -7.1298 0.5095 0.5095 0.5856 0.5856 1.7618 1.7618 1.9056 1.9056 2.3433 2.3433 2.3671 2.3671 6.5492 6.5492 6.6143 6.6143 7.4988 7.4988 7.5138 7.5138 k = 0.1625 0.0938 0.3087 ( 7172 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.1181 -7.1181 -7.1181 -7.1181 0.4828 0.4828 0.5625 0.5625 1.7212 1.7212 1.8707 1.8707 2.3146 2.3146 2.3398 2.3398 6.5825 6.5825 6.6451 6.6451 7.4847 7.4847 7.5054 7.5054 k = 0.1750 0.1010 0.3087 ( 7168 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.1057 -7.1057 -7.1057 -7.1057 0.4527 0.4527 0.5350 0.5350 1.6836 1.6836 1.8371 1.8371 2.2870 2.2870 2.3131 2.3131 6.5978 6.5978 6.6561 6.6561 7.4855 7.4855 7.5133 7.5133 k = 0.1875 0.1083 0.3087 ( 7172 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0927 -7.0927 -7.0927 -7.0927 0.4191 0.4191 0.5029 0.5029 1.6500 1.6500 1.8055 1.8055 2.2604 2.2604 2.2869 2.2869 6.5952 6.5952 6.6481 6.6481 7.4977 7.4977 7.5329 7.5329 k = 0.2000 0.1155 0.3087 ( 7168 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0792 -7.0792 -7.0792 -7.0792 0.3823 0.3823 0.4662 0.4662 1.6207 1.6207 1.7765 1.7765 2.2348 2.2348 2.2614 2.2614 6.5773 6.5773 6.6248 6.6248 7.5151 7.5151 7.5568 7.5568 k = 0.2125 0.1227 0.3087 ( 7168 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0652 -7.0652 -7.0652 -7.0652 0.3423 0.3423 0.4253 0.4253 1.5961 1.5961 1.7504 1.7504 2.2103 2.2103 2.2367 2.2367 6.5478 6.5478 6.5903 6.5903 7.5310 7.5310 7.5772 7.5772 k = 0.2250 0.1299 0.3087 ( 7168 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0508 -7.0508 -7.0508 -7.0508 0.2994 0.2994 0.3804 0.3804 1.5760 1.5760 1.7273 1.7273 2.1869 2.1869 2.2129 2.2129 6.5101 6.5101 6.5484 6.5484 7.5394 7.5394 7.5880 7.5880 k = 0.2375 0.1371 0.3087 ( 7156 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0361 -7.0361 -7.0361 -7.0361 0.2541 0.2541 0.3322 0.3322 1.5603 1.5603 1.7073 1.7073 2.1647 2.1647 2.1900 2.1900 6.4672 6.4672 6.5021 6.5021 7.5371 7.5371 7.5860 7.5860 k = 0.2500 0.1443 0.3087 ( 7148 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0212 -7.0212 -7.0211 -7.0211 0.2068 0.2068 0.2813 0.2813 1.5486 1.5486 1.6903 1.6903 2.1438 2.1438 2.1682 2.1682 6.4214 6.4214 6.4533 6.4533 7.5233 7.5233 7.5711 7.5711 k = 0.2625 0.1516 0.3087 ( 7154 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0062 -7.0062 -7.0061 -7.0061 0.1580 0.1580 0.2285 0.2285 1.5404 1.5404 1.6759 1.6759 2.1242 2.1242 2.1475 2.1475 6.3741 6.3741 6.4036 6.4036 7.4991 7.4991 7.5448 7.5448 k = 0.2750 0.1588 0.3087 ( 7156 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -6.9910 -6.9910 -6.9909 -6.9909 0.1082 0.1082 0.1743 0.1743 1.5352 1.5352 1.6639 1.6639 2.1062 2.1062 2.1282 2.1282 6.3265 6.3265 6.3539 6.3539 7.4664 7.4664 7.5095 7.5095 k = 0.2875 0.1660 0.3087 ( 7148 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -6.9760 -6.9760 -6.9759 -6.9759 0.0580 0.0580 0.1196 0.1196 1.5326 1.5326 1.6540 1.6540 2.0896 2.0896 2.1102 2.1102 6.2795 6.2795 6.3051 6.3051 7.4274 7.4274 7.4678 7.4678 k = 0.3000 0.1732 0.3087 ( 7152 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -6.9610 -6.9610 -6.9609 -6.9609 0.0079 0.0079 0.0649 0.0649 1.5320 1.5320 1.6457 1.6457 2.0748 2.0748 2.0936 2.0936 6.2336 6.2336 6.2575 6.2575 7.3840 7.3840 7.4216 7.4216 k = 0.3125 0.1804 0.3087 ( 7148 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -6.9463 -6.9463 -6.9462 -6.9462 -0.0415 -0.0415 0.0109 0.0109 1.5329 1.5329 1.6387 1.6387 2.0616 2.0616 2.0786 2.0786 6.1893 6.1893 6.2117 6.2117 7.3380 7.3380 7.3729 7.3729 k = 0.3250 0.1876 0.3087 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -6.9320 -6.9320 -6.9318 -6.9318 -0.0899 -0.0899 -0.0419 -0.0419 1.5349 1.5349 1.6326 1.6326 2.0501 2.0501 2.0652 2.0652 6.1470 6.1470 6.1679 6.1679 7.2908 7.2908 7.3230 7.3230 k = 0.3375 0.1949 0.3087 ( 7172 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9180 -6.9180 -6.9179 -6.9179 -0.1366 -0.1366 -0.0930 -0.0930 1.5377 1.5377 1.6273 1.6273 2.0403 2.0403 2.0535 2.0535 6.1068 6.1068 6.1264 6.1264 7.2435 7.2435 7.2731 7.2731 k = 0.3500 0.2021 0.3087 ( 7166 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9046 -6.9046 -6.9045 -6.9045 -0.1815 -0.1815 -0.1419 -0.1419 1.5409 1.5409 1.6224 1.6224 2.0322 2.0322 2.0434 2.0434 6.0691 6.0691 6.0874 6.0874 7.1970 7.1970 7.2242 7.2242 k = 0.3625 0.2093 0.3087 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8919 -6.8919 -6.8918 -6.8918 -0.2239 -0.2239 -0.1884 -0.1884 1.5444 1.5444 1.6178 1.6178 2.0257 2.0257 2.0349 2.0349 6.0340 6.0340 6.0509 6.0509 7.1522 7.1522 7.1769 7.1769 k = 0.3750 0.2165 0.3087 ( 7172 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8799 -6.8799 -6.8798 -6.8798 -0.2637 -0.2637 -0.2320 -0.2320 1.5478 1.5478 1.6133 1.6133 2.0207 2.0207 2.0280 2.0280 6.0017 6.0017 6.0172 6.0172 7.1096 7.1096 7.1319 7.1319 k = 0.3875 0.2237 0.3087 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8687 -6.8687 -6.8686 -6.8686 -0.3004 -0.3004 -0.2724 -0.2724 1.5511 1.5511 1.6089 1.6089 2.0170 2.0170 2.0225 2.0225 5.9721 5.9721 5.9863 5.9863 7.0698 7.0698 7.0897 7.0897 k = 0.4000 0.2309 0.3087 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8584 -6.8584 -6.8583 -6.8583 -0.3339 -0.3339 -0.3094 -0.3094 1.5542 1.5542 1.6046 1.6046 2.0143 2.0143 2.0183 2.0183 5.9456 5.9456 5.9583 5.9583 7.0332 7.0332 7.0508 7.0508 k = 0.4125 0.2382 0.3087 ( 7158 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8491 -6.8491 -6.8490 -6.8490 -0.3639 -0.3639 -0.3427 -0.3427 1.5571 1.5571 1.6003 1.6003 2.0126 2.0126 2.0153 2.0153 5.9221 5.9221 5.9333 5.9333 7.0002 7.0002 7.0156 7.0156 k = 0.4250 0.2454 0.3087 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8408 -6.8408 -6.8408 -6.8408 -0.3901 -0.3901 -0.3721 -0.3721 1.5598 1.5598 1.5962 1.5962 2.0116 2.0116 2.0132 2.0132 5.9017 5.9017 5.9114 5.9114 6.9712 6.9712 6.9843 6.9843 k = 0.4375 0.2526 0.3087 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8338 -6.8338 -6.8337 -6.8337 -0.4123 -0.4123 -0.3976 -0.3976 1.5624 1.5624 1.5921 1.5921 2.0110 2.0110 2.0120 2.0120 5.8844 5.8844 5.8927 5.8927 6.9464 6.9464 6.9572 6.9572 k = 0.4500 0.2598 0.3087 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8279 -6.8279 -6.8278 -6.8278 -0.4305 -0.4305 -0.4188 -0.4188 1.5648 1.5648 1.5883 1.5883 2.0108 2.0108 2.0112 2.0112 5.8704 5.8704 5.8771 5.8771 6.9259 6.9259 6.9346 6.9346 k = 0.4625 0.2670 0.3087 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8233 -6.8233 -6.8232 -6.8232 -0.4445 -0.4445 -0.4357 -0.4357 1.5672 1.5672 1.5846 1.5846 2.0108 2.0108 2.0109 2.0109 5.8597 5.8597 5.8647 5.8647 6.9101 6.9101 6.9166 6.9166 k = 0.4750 0.2742 0.3087 ( 7184 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8199 -6.8199 -6.8199 -6.8199 -0.4541 -0.4541 -0.4483 -0.4483 1.5697 1.5697 1.5812 1.5812 2.0108 2.0108 2.0109 2.0109 5.8522 5.8522 5.8556 5.8556 6.8990 6.8990 6.9033 6.9033 k = 0.4875 0.2815 0.3087 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8179 -6.8179 -6.8179 -6.8179 -0.4594 -0.4594 -0.4565 -0.4565 1.5723 1.5723 1.5780 1.5780 2.0109 2.0109 2.0109 2.0109 5.8481 5.8481 5.8498 5.8498 6.8927 6.8927 6.8949 6.8949 k = 0.5000 0.2887 0.3087 ( 7168 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8172 -6.8172 -6.8172 -6.8172 -0.4601 -0.4601 -0.4601 -0.4601 1.5750 1.5750 1.5750 1.5750 2.0109 2.0109 2.0109 2.0109 5.8473 5.8473 5.8473 5.8473 6.8914 6.8914 6.8914 6.8914 k = 0.5000 0.2887 0.3087 ( 7168 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8172 -6.8172 -6.8172 -6.8172 -0.4601 -0.4601 -0.4601 -0.4601 1.5750 1.5750 1.5750 1.5750 2.0109 2.0109 2.0109 2.0109 5.8473 5.8473 5.8473 5.8473 6.8914 6.8914 6.8914 6.8914 k = 0.4928 0.3012 0.3087 ( 7180 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8170 -6.8170 -6.8170 -6.8170 -0.4633 -0.4633 -0.4555 -0.4555 1.5508 1.5508 1.5925 1.5925 1.9938 1.9938 2.0268 2.0268 5.8505 5.8505 5.8545 5.8545 6.8913 6.8913 6.8982 6.8982 k = 0.4855 0.3138 0.3087 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8164 -6.8164 -6.8164 -6.8164 -0.4650 -0.4650 -0.4495 -0.4495 1.5205 1.5205 1.6025 1.6025 1.9766 1.9766 2.0411 2.0411 5.8640 5.8640 5.8719 5.8719 6.8980 6.8980 6.9119 6.9119 k = 0.4783 0.3263 0.3087 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8154 -6.8154 -6.8153 -6.8153 -0.4653 -0.4653 -0.4419 -0.4419 1.4846 1.4846 1.6041 1.6041 1.9606 1.9606 2.0534 2.0534 5.8871 5.8871 5.8988 5.8988 6.9116 6.9116 6.9327 6.9327 k = 0.4710 0.3389 0.3087 ( 7180 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8140 -6.8140 -6.8139 -6.8139 -0.4643 -0.4643 -0.4328 -0.4328 1.4436 1.4436 1.5963 1.5963 1.9472 1.9472 2.0640 2.0640 5.9187 5.9187 5.9340 5.9340 6.9327 6.9327 6.9611 6.9611 k = 0.4638 0.3514 0.3087 ( 7178 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8122 -6.8122 -6.8121 -6.8121 -0.4621 -0.4621 -0.4223 -0.4223 1.3979 1.3979 1.5788 1.5788 1.9375 1.9375 2.0729 2.0729 5.9573 5.9573 5.9761 5.9761 6.9618 6.9618 6.9976 6.9976 k = 0.4565 0.3640 0.3087 ( 7182 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8101 -6.8101 -6.8099 -6.8099 -0.4587 -0.4587 -0.4103 -0.4103 1.3480 1.3480 1.5522 1.5522 1.9319 1.9319 2.0805 2.0805 6.0014 6.0014 6.0233 6.0233 6.9994 6.9994 7.0427 7.0427 k = 0.4493 0.3765 0.3087 ( 7182 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.8076 -6.8076 -6.8074 -6.8074 -0.4543 -0.4543 -0.3969 -0.3969 1.2946 1.2946 1.5176 1.5176 1.9301 1.9301 2.0871 2.0871 6.0489 6.0489 6.0737 6.0737 7.0464 7.0464 7.0970 7.0970 k = 0.4420 0.3891 0.3087 ( 7190 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.8049 -6.8049 -6.8047 -6.8047 -0.4489 -0.4489 -0.3822 -0.3822 1.2383 1.2383 1.4767 1.4767 1.9313 1.9313 2.0929 2.0929 6.0980 6.0980 6.1253 6.1253 7.1031 7.1031 7.1607 7.1607 k = 0.4348 0.4016 0.3087 ( 7186 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.8019 -6.8019 -6.8017 -6.8017 -0.4428 -0.4428 -0.3663 -0.3663 1.1798 1.1798 1.4313 1.4313 1.9347 1.9347 2.0983 2.0983 6.1471 6.1471 6.1763 6.1763 7.1698 7.1698 7.2335 7.2335 k = 0.4275 0.4142 0.3087 ( 7186 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7987 -6.7987 -6.7985 -6.7985 -0.4361 -0.4361 -0.3493 -0.3493 1.1198 1.1198 1.3831 1.3831 1.9396 1.9396 2.1033 2.1033 6.1946 6.1946 6.2252 6.2252 7.2460 7.2460 7.3146 7.3146 k = 0.4203 0.4267 0.3087 ( 7182 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7954 -6.7954 -6.7951 -6.7951 -0.4288 -0.4288 -0.3313 -0.3313 1.0591 1.0591 1.3334 1.3334 1.9456 1.9456 2.1082 2.1082 6.2395 6.2395 6.2708 6.2708 7.3305 7.3305 7.4022 7.4022 k = 0.4130 0.4393 0.3087 ( 7178 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7920 -6.7920 -6.7916 -6.7916 -0.4214 -0.4214 -0.3126 -0.3126 0.9985 0.9985 1.2836 1.2836 1.9521 1.9521 2.1129 2.1129 6.2812 6.2812 6.3126 6.3126 7.4207 7.4207 7.4934 7.4934 k = 0.4058 0.4518 0.3087 ( 7186 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7885 -6.7885 -6.7881 -6.7881 -0.4139 -0.4139 -0.2933 -0.2933 0.9388 0.9388 1.2348 1.2348 1.9588 1.9588 2.1175 2.1175 6.3192 6.3192 6.3500 6.3500 7.5128 7.5128 7.5838 7.5838 k = 0.3986 0.4644 0.3087 ( 7178 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7850 -6.7850 -6.7847 -6.7847 -0.4065 -0.4065 -0.2737 -0.2737 0.8809 0.8809 1.1879 1.1879 1.9656 1.9656 2.1219 2.1219 6.3533 6.3533 6.3832 6.3832 7.6002 7.6002 7.6678 7.6678 k = 0.3913 0.4769 0.3087 ( 7166 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7816 -6.7816 -6.7813 -6.7813 -0.3995 -0.3995 -0.2542 -0.2542 0.8256 0.8256 1.1438 1.1438 1.9722 1.9722 2.1263 2.1263 6.3835 6.3835 6.4121 6.4121 7.6744 7.6744 7.7402 7.7402 k = 0.3841 0.4895 0.3087 ( 7168 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7784 -6.7784 -6.7780 -6.7780 -0.3931 -0.3931 -0.2353 -0.2353 0.7739 0.7739 1.1033 1.1033 1.9785 1.9785 2.1304 2.1304 6.4097 6.4097 6.4368 6.4368 7.7261 7.7261 7.7970 7.7970 k = 0.3768 0.5020 0.3087 ( 7162 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7754 -6.7754 -6.7750 -6.7750 -0.3874 -0.3874 -0.2173 -0.2173 0.7265 0.7265 1.0671 1.0671 1.9843 1.9843 2.1343 2.1343 6.4319 6.4319 6.4575 6.4575 7.7531 7.7531 7.8359 7.8359 k = 0.3696 0.5146 0.3087 ( 7158 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7727 -6.7727 -6.7722 -6.7722 -0.3826 -0.3826 -0.2009 -0.2009 0.6844 0.6844 1.0356 1.0356 1.9895 1.9895 2.1379 2.1379 6.4501 6.4501 6.4744 6.4744 7.7611 7.7611 7.8568 7.8568 k = 0.3623 0.5271 0.3087 ( 7166 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7703 -6.7703 -6.7698 -6.7698 -0.3789 -0.3789 -0.1866 -0.1866 0.6486 0.6486 1.0094 1.0094 1.9940 1.9940 2.1409 2.1409 6.4645 6.4645 6.4876 6.4876 7.7581 7.7581 7.8638 7.8638 k = 0.3551 0.5397 0.3087 ( 7158 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7683 -6.7683 -6.7679 -6.7679 -0.3762 -0.3762 -0.1750 -0.1750 0.6199 0.6199 0.9889 0.9889 1.9977 1.9977 2.1435 2.1435 6.4751 6.4751 6.4972 6.4972 7.7507 7.7507 7.8630 7.8630 k = 0.3478 0.5522 0.3087 ( 7146 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7668 -6.7668 -6.7664 -6.7664 -0.3744 -0.3744 -0.1666 -0.1666 0.5990 0.5990 0.9742 0.9742 2.0004 2.0004 2.1454 2.1454 6.4822 6.4822 6.5036 6.5036 7.7429 7.7429 7.8593 7.8593 k = 0.3406 0.5648 0.3087 ( 7148 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7659 -6.7659 -6.7654 -6.7654 -0.3735 -0.3735 -0.1616 -0.1616 0.5864 0.5864 0.9654 0.9654 2.0021 2.0021 2.1467 2.1467 6.4861 6.4861 6.5071 6.5071 7.7373 7.7373 7.8559 7.8559 k = 0.3333 0.5774 0.3087 ( 7140 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7656 -6.7656 -6.7651 -6.7651 -0.3733 -0.3733 -0.1600 -0.1600 0.5822 0.5822 0.9625 0.9625 2.0026 2.0026 2.1471 2.1471 6.4873 6.4873 6.5082 6.5082 7.7353 7.7353 7.8545 7.8545 k = 0.3333 0.5774 0.3087 ( 7140 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7656 -6.7656 -6.7651 -6.7651 -0.3733 -0.3733 -0.1600 -0.1600 0.5822 0.5822 0.9625 0.9625 2.0026 2.0026 2.1471 2.1471 6.4873 6.4873 6.5082 6.5082 7.7353 7.7353 7.8545 7.8545 k = 0.3261 0.5648 0.3087 ( 7144 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7659 -6.7659 -6.7654 -6.7654 -0.3734 -0.3734 -0.1615 -0.1615 0.5863 0.5863 0.9653 0.9653 2.0020 2.0020 2.1466 2.1466 6.4863 6.4863 6.5073 6.5073 7.7374 7.7374 7.8560 7.8560 k = 0.3188 0.5522 0.3087 ( 7150 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7670 -6.7670 -6.7665 -6.7665 -0.3736 -0.3736 -0.1652 -0.1652 0.5979 0.5979 0.9737 0.9737 2.0002 2.0002 2.1453 2.1453 6.4838 6.4838 6.5052 6.5052 7.7435 7.7435 7.8603 7.8603 k = 0.3116 0.5397 0.3087 ( 7154 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7688 -6.7688 -6.7684 -6.7684 -0.3734 -0.3734 -0.1706 -0.1706 0.6165 0.6165 0.9873 0.9873 1.9971 1.9971 2.1429 2.1429 6.4802 6.4802 6.5024 6.5024 7.7531 7.7531 7.8670 7.8670 k = 0.3043 0.5271 0.3087 ( 7174 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7715 -6.7715 -6.7710 -6.7710 -0.3724 -0.3724 -0.1765 -0.1765 0.6411 0.6411 1.0057 1.0057 1.9927 1.9927 2.1396 2.1396 6.4764 6.4764 6.4996 6.4996 7.7656 7.7656 7.8753 7.8753 k = 0.2971 0.5146 0.3087 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7750 -6.7750 -6.7745 -6.7745 -0.3703 -0.3703 -0.1821 -0.1821 0.6708 0.6708 1.0287 1.0287 1.9870 1.9870 2.1353 2.1353 6.4729 6.4729 6.4975 6.4975 7.7801 7.7801 7.8841 7.8841 k = 0.2899 0.5020 0.3087 ( 7184 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7793 -6.7793 -6.7789 -6.7789 -0.3667 -0.3667 -0.1867 -0.1867 0.7048 0.7048 1.0556 1.0556 1.9801 1.9801 2.1300 2.1300 6.4703 6.4703 6.4964 6.4964 7.7954 7.7954 7.8921 7.8921 k = 0.2826 0.4895 0.3087 ( 7182 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7846 -6.7846 -6.7842 -6.7842 -0.3612 -0.3612 -0.1895 -0.1895 0.7423 0.7423 1.0863 1.0863 1.9720 1.9720 2.1238 2.1238 6.4691 6.4691 6.4968 6.4968 7.8106 7.8106 7.8982 7.8982 k = 0.2754 0.4769 0.3087 ( 7190 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7908 -6.7908 -6.7904 -6.7904 -0.3535 -0.3535 -0.1900 -0.1900 0.7827 0.7827 1.1202 1.1202 1.9627 1.9627 2.1168 2.1168 6.4696 6.4696 6.4992 6.4992 7.8244 7.8244 7.9012 7.9012 k = 0.2681 0.4644 0.3087 ( 7170 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7978 -6.7978 -6.7975 -6.7975 -0.3433 -0.3433 -0.1878 -0.1878 0.8255 0.8255 1.1569 1.1569 1.9525 1.9525 2.1090 2.1090 6.4722 6.4722 6.5037 6.5037 7.8357 7.8357 7.9004 7.9004 k = 0.2609 0.4518 0.3087 ( 7170 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.8058 -6.8058 -6.8055 -6.8055 -0.3305 -0.3305 -0.1826 -0.1826 0.8701 0.8701 1.1960 1.1960 1.9414 1.9414 2.1007 2.1007 6.4770 6.4770 6.5106 6.5106 7.8432 7.8432 7.8959 7.8959 k = 0.2536 0.4393 0.3087 ( 7182 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.8147 -6.8147 -6.8144 -6.8144 -0.3148 -0.3148 -0.1741 -0.1741 0.9160 0.9160 1.2371 1.2371 1.9297 1.9297 2.0919 2.0919 6.4843 6.4843 6.5199 6.5199 7.8455 7.8455 7.8885 7.8885 k = 0.2464 0.4267 0.3087 ( 7184 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.8244 -6.8244 -6.8241 -6.8241 -0.2962 -0.2962 -0.1622 -0.1622 0.9628 0.9628 1.2799 1.2799 1.9175 1.9175 2.0830 2.0830 6.4941 6.4941 6.5317 6.5317 7.8409 7.8409 7.8799 7.8799 k = 0.2391 0.4142 0.3087 ( 7168 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8349 -6.8349 -6.8346 -6.8346 -0.2746 -0.2746 -0.1467 -0.1467 1.0102 1.0102 1.3238 1.3238 1.9053 1.9053 2.0741 2.0741 6.5063 6.5063 6.5461 6.5461 7.8291 7.8291 7.8713 7.8713 k = 0.2319 0.4016 0.3087 ( 7182 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.8463 -6.8463 -6.8460 -6.8460 -0.2499 -0.2499 -0.1277 -0.1277 1.0577 1.0577 1.3684 1.3684 1.8933 1.8933 2.0655 2.0655 6.5210 6.5210 6.5629 6.5629 7.8114 7.8114 7.8618 7.8618 k = 0.2246 0.3891 0.3087 ( 7186 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8583 -6.8583 -6.8580 -6.8580 -0.2223 -0.2223 -0.1052 -0.1052 1.1049 1.1049 1.4133 1.4133 1.8821 1.8821 2.0575 2.0575 6.5379 6.5380 6.5821 6.5821 7.7899 7.7899 7.8500 7.8500 k = 0.2174 0.3765 0.3087 ( 7182 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8710 -6.8710 -6.8708 -6.8708 -0.1917 -0.1917 -0.0792 -0.0792 1.1515 1.1515 1.4577 1.4577 1.8723 1.8723 2.0505 2.0505 6.5571 6.5571 6.6036 6.6036 7.7656 7.7656 7.8351 7.8351 k = 0.2101 0.3640 0.3087 ( 7178 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8844 -6.8843 -6.8841 -6.8841 -0.1584 -0.1584 -0.0500 -0.0500 1.1970 1.1970 1.5008 1.5008 1.8647 1.8647 2.0449 2.0449 6.5783 6.5783 6.6271 6.6271 7.7390 7.7390 7.8163 7.8163 k = 0.2029 0.3514 0.3087 ( 7182 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8982 -6.8982 -6.8980 -6.8980 -0.1224 -0.1224 -0.0177 -0.0177 1.2411 1.2411 1.5417 1.5417 1.8603 1.8603 2.0411 2.0411 6.6014 6.6014 6.6528 6.6528 7.7100 7.7100 7.7929 7.7929 k = 0.1957 0.3389 0.3087 ( 7190 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.9126 -6.9126 -6.9124 -6.9124 -0.0841 -0.0841 0.0176 0.0176 1.2833 1.2833 1.5791 1.5791 1.8607 1.8607 2.0394 2.0394 6.6262 6.6262 6.6803 6.6803 7.6783 7.6783 7.7640 7.7640 k = 0.1884 0.3263 0.3087 ( 7190 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.9273 -6.9273 -6.9271 -6.9271 -0.0437 -0.0437 0.0554 0.0554 1.3234 1.3234 1.6114 1.6114 1.8673 1.8673 2.0403 2.0403 6.6524 6.6524 6.7095 6.7095 7.6433 7.6433 7.7292 7.7292 k = 0.1812 0.3138 0.3087 ( 7180 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -6.9423 -6.9423 -6.9422 -6.9422 -0.0015 -0.0015 0.0955 0.0955 1.3609 1.3609 1.6377 1.6377 1.8816 1.8816 2.0442 2.0442 6.6801 6.6801 6.7405 6.7405 7.6047 7.6047 7.6883 7.6883 k = 0.1739 0.3012 0.3087 ( 7164 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1819 -39.1819 -6.9576 -6.9576 -6.9575 -6.9575 0.0421 0.0421 0.1375 0.1375 1.3959 1.3959 1.6579 1.6579 1.9036 1.9036 2.0514 2.0514 6.7088 6.7088 6.7731 6.7731 7.5624 7.5624 7.6416 7.6416 k = 0.1667 0.2887 0.3087 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -6.9730 -6.9730 -6.9729 -6.9729 0.0867 0.0867 0.1809 0.1809 1.4281 1.4281 1.6733 1.6733 1.9323 1.9323 2.0621 2.0621 6.7383 6.7383 6.8072 6.8072 7.5164 7.5164 7.5899 7.5899 k = 0.1594 0.2761 0.3087 ( 7174 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -6.9885 -6.9885 -6.9884 -6.9884 0.1318 0.1318 0.2252 0.2252 1.4578 1.4578 1.6861 1.6861 1.9659 1.9659 2.0763 2.0763 6.7682 6.7682 6.8425 6.8425 7.4674 7.4674 7.5344 7.5344 k = 0.1522 0.2636 0.3087 ( 7178 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0040 -7.0040 -7.0039 -7.0039 0.1769 0.1769 0.2699 0.2699 1.4854 1.4854 1.6982 1.6982 2.0025 2.0025 2.0940 2.0940 6.7976 6.7976 6.8789 6.8789 7.4160 7.4160 7.4765 7.4765 k = 0.1449 0.2510 0.3087 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0194 -7.0194 -7.0192 -7.0192 0.2217 0.2217 0.3142 0.3143 1.5116 1.5116 1.7112 1.7112 2.0405 2.0405 2.1150 2.1150 6.8253 6.8253 6.9154 6.9154 7.3636 7.3636 7.4182 7.4182 k = 0.1377 0.2385 0.3087 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0345 -7.0345 -7.0344 -7.0344 0.2654 0.2654 0.3577 0.3577 1.5371 1.5371 1.7262 1.7262 2.0791 2.0791 2.1389 2.1389 6.8487 6.8487 6.9504 6.9504 7.3120 7.3120 7.3627 7.3627 k = 0.1304 0.2259 0.3087 ( 7166 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0494 -7.0494 -7.0493 -7.0493 0.3077 0.3077 0.3996 0.3996 1.5630 1.5630 1.7439 1.7439 2.1174 2.1174 2.1654 2.1654 6.8639 6.8639 6.9796 6.9796 7.2645 7.2645 7.3158 7.3158 k = 0.1232 0.2134 0.3087 ( 7174 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0640 -7.0640 -7.0639 -7.0639 0.3481 0.3481 0.4392 0.4392 1.5901 1.5901 1.7645 1.7645 2.1550 2.1550 2.1941 2.1941 6.8650 6.8650 6.9930 6.9930 7.2303 7.2303 7.2849 7.2849 k = 0.1159 0.2008 0.3087 ( 7178 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0782 -7.0782 -7.0781 -7.0781 0.3861 0.3861 0.4759 0.4759 1.6192 1.6192 1.7882 1.7882 2.1916 2.1916 2.2245 2.2245 6.8470 6.8470 6.9760 6.9760 7.2240 7.2240 7.2758 7.2758 k = 0.1087 0.1883 0.3087 ( 7178 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.0918 -7.0918 -7.0918 -7.0918 0.4214 0.4214 0.5093 0.5093 1.6511 1.6511 1.8149 1.8149 2.2272 2.2272 2.2561 2.2561 6.8090 6.8090 6.9277 6.9277 7.2475 7.2475 7.2889 7.2889 k = 0.1014 0.1757 0.3087 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.1049 -7.1049 -7.1049 -7.1049 0.4539 0.4539 0.5390 0.5390 1.6858 1.6858 1.8443 1.8443 2.2619 2.2619 2.2885 2.2885 6.7550 6.7550 6.8609 6.8609 7.2888 7.2888 7.3200 7.3200 k = 0.0942 0.1632 0.3087 ( 7170 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.1174 -7.1174 -7.1174 -7.1174 0.4832 0.4832 0.5649 0.5649 1.7235 1.7235 1.8758 1.8758 2.2960 2.2960 2.3210 2.3210 6.6900 6.6900 6.7847 6.7847 7.3396 7.3396 7.3643 7.3643 k = 0.0870 0.1506 0.3087 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.1292 -7.1292 -7.1292 -7.1292 0.5095 0.5095 0.5869 0.5869 1.7638 1.7638 1.9090 1.9090 2.3296 2.3296 2.3533 2.3533 6.6181 6.6181 6.7035 6.7035 7.3963 7.3963 7.4178 7.4178 k = 0.0797 0.1381 0.3087 ( 7188 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1819 -39.1819 -39.1819 -39.1819 -7.1403 -7.1403 -7.1403 -7.1403 0.5328 0.5328 0.6051 0.6051 1.8060 1.8060 1.9429 1.9429 2.3631 2.3631 2.3851 2.3851 6.5423 6.5423 6.6198 6.6198 7.4576 7.4576 7.4777 7.4777 k = 0.0725 0.1255 0.3087 ( 7176 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1506 -7.1506 -7.1506 -7.1506 0.5532 0.5532 0.6199 0.6199 1.8494 1.8494 1.9768 1.9768 2.3964 2.3964 2.4164 2.4164 6.4649 6.4649 6.5355 6.5355 7.5226 7.5226 7.5422 7.5422 k = 0.0652 0.1130 0.3087 ( 7178 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1600 -7.1600 -7.1600 -7.1600 0.5709 0.5709 0.6316 0.6316 1.8928 1.8928 2.0095 2.0095 2.4295 2.4295 2.4468 2.4468 6.3877 6.3877 6.4519 6.4519 7.5908 7.5908 7.6100 7.6100 k = 0.0580 0.1004 0.3087 ( 7174 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1686 -7.1686 -7.1686 -7.1686 0.5862 0.5862 0.6405 0.6405 1.9353 1.9353 2.0402 2.0402 2.4621 2.4621 2.4765 2.4765 6.3126 6.3126 6.3706 6.3706 7.6613 7.6613 7.6800 7.6800 k = 0.0507 0.0879 0.3087 ( 7178 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1763 -7.1763 -7.1762 -7.1762 0.5993 0.5993 0.6469 0.6469 1.9758 1.9758 2.0680 2.0680 2.4938 2.4938 2.5050 2.5050 6.2415 6.2415 6.2932 6.2932 7.7335 7.7335 7.7514 7.7514 k = 0.0435 0.0753 0.3087 ( 7172 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4704 -39.4704 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1830 -7.1830 -7.1830 -7.1830 0.6105 0.6105 0.6514 0.6514 2.0132 2.0132 2.0922 2.0922 2.5240 2.5240 2.5320 2.5320 6.1759 6.1759 6.2213 6.2213 7.8062 7.8062 7.8231 7.8231 k = 0.0362 0.0628 0.3087 ( 7184 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1887 -7.1887 -7.1887 -7.1887 0.6200 0.6200 0.6541 0.6541 2.0468 2.0468 2.1123 2.1123 2.5519 2.5519 2.5570 2.5570 6.1175 6.1175 6.1562 6.1562 7.8783 7.8783 7.8938 7.8938 k = 0.0290 0.0502 0.3087 ( 7192 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1934 -7.1934 -7.1934 -7.1934 0.6281 0.6281 0.6553 0.6553 2.0759 2.0759 2.1280 2.1280 2.5764 2.5764 2.5793 2.5793 6.0681 6.0681 6.0997 6.0997 7.9478 7.9478 7.9616 7.9616 k = 0.0217 0.0377 0.3087 ( 7196 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1971 -7.1971 -7.1971 -7.1971 0.6349 0.6349 0.6553 0.6553 2.1002 2.1002 2.1390 2.1390 2.5967 2.5967 2.5980 2.5980 6.0289 6.0289 6.0531 6.0531 8.0122 8.0122 8.0237 8.0237 k = 0.0145 0.0251 0.3087 ( 7200 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.1998 -7.1998 -7.1997 -7.1997 0.6406 0.6406 0.6542 0.6542 2.1195 2.1195 2.1451 2.1451 2.6118 2.6118 2.6122 2.6122 6.0012 6.0012 6.0175 6.0175 8.0673 8.0673 8.0758 8.0758 k = 0.0072 0.0126 0.3087 ( 7196 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.2013 -7.2013 -7.2013 -7.2013 0.6454 0.6454 0.6522 0.6522 2.1335 2.1335 2.1463 2.1463 2.6211 2.6211 2.6212 2.6212 5.9859 5.9859 5.9941 5.9941 8.1068 8.1068 8.1111 8.1111 k = 0.0000 0.0000 0.3087 ( 7186 PWs) bands (ev): -72.5291 -72.5291 -72.5291 -72.5291 -39.4705 -39.4705 -39.4705 -39.4705 -39.1828 -39.1828 -39.1828 -39.1828 -39.1818 -39.1818 -39.1818 -39.1818 -7.2019 -7.2019 -7.2019 -7.2019 0.6492 0.6492 0.6492 0.6492 2.1425 2.1425 2.1425 2.1425 2.6242 2.6242 2.6242 2.6242 5.9835 5.9835 5.9835 5.9835 8.1221 8.1221 8.1221 8.1221 k = 0.5000 0.2887 0.3087 ( 7168 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8172 -6.8172 -6.8172 -6.8172 -0.4601 -0.4601 -0.4601 -0.4601 1.5750 1.5750 1.5750 1.5750 2.0109 2.0109 2.0109 2.0109 5.8473 5.8473 5.8473 5.8473 6.8914 6.8914 6.8914 6.8914 k = 0.5000 0.2887 0.2940 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8247 -6.8247 -6.8098 -6.8098 -0.4744 -0.4744 -0.4434 -0.4434 1.5429 1.5429 1.6034 1.6034 1.9747 1.9747 2.0460 2.0460 5.8011 5.8011 5.8937 5.8937 6.8686 6.8686 6.9265 6.9265 k = 0.5000 0.2887 0.2793 ( 7164 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8321 -6.8321 -6.8024 -6.8024 -0.4861 -0.4861 -0.4241 -0.4241 1.5073 1.5073 1.6274 1.6274 1.9390 1.9390 2.0790 2.0790 5.7587 5.7587 5.9362 5.9362 6.8619 6.8619 6.9709 6.9709 k = 0.5000 0.2887 0.2646 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8395 -6.8395 -6.7951 -6.7951 -0.4951 -0.4951 -0.4025 -0.4025 1.4682 1.4682 1.6461 1.6461 1.9057 1.9057 2.1087 2.1087 5.7226 5.7226 5.9708 5.9708 6.8749 6.8749 7.0216 7.0216 k = 0.5000 0.2887 0.2499 ( 7156 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1820 -39.1820 -39.1820 -39.1820 -6.8467 -6.8467 -6.7879 -6.7879 -0.5015 -0.5015 -0.3787 -0.3787 1.4259 1.4259 1.6582 1.6582 1.8769 1.8769 2.1348 2.1348 5.6948 5.6948 5.9942 5.9942 6.9103 6.9103 7.0767 7.0767 k = 0.5000 0.2887 0.2352 ( 7154 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8538 -6.8538 -6.7810 -6.7810 -0.5053 -0.5053 -0.3529 -0.3529 1.3804 1.3804 1.6620 1.6620 1.8546 1.8546 2.1569 2.1569 5.6768 5.6768 6.0053 6.0053 6.9686 6.9686 7.1340 7.1340 k = 0.5000 0.2887 0.2205 ( 7150 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8607 -6.8607 -6.7742 -6.7742 -0.5065 -0.5065 -0.3252 -0.3252 1.3320 1.3320 1.6570 1.6570 1.8398 1.8398 2.1751 2.1751 5.6693 5.6693 6.0050 6.0050 7.0478 7.0478 7.1919 7.1919 k = 0.5000 0.2887 0.2058 ( 7158 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8673 -6.8673 -6.7677 -6.7677 -0.5052 -0.5052 -0.2960 -0.2960 1.2812 1.2812 1.6445 1.6445 1.8309 1.8309 2.1898 2.1898 5.6729 5.6729 5.9957 5.9957 7.1432 7.1432 7.2500 7.2500 k = 0.5000 0.2887 0.1911 ( 7160 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8737 -6.8737 -6.7615 -6.7615 -0.5016 -0.5016 -0.2655 -0.2655 1.2286 1.2286 1.6276 1.6276 1.8247 1.8247 2.2017 2.2017 5.6877 5.6877 5.9801 5.9801 7.2422 7.2422 7.3149 7.3149 k = 0.5000 0.2887 0.1764 ( 7162 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8797 -6.8797 -6.7556 -6.7556 -0.4958 -0.4958 -0.2340 -0.2340 1.1749 1.1749 1.6087 1.6087 1.8183 1.8183 2.2115 2.2115 5.7134 5.7134 5.9606 5.9606 7.3107 7.3107 7.4152 7.4152 k = 0.5000 0.2887 0.1617 ( 7152 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8855 -6.8855 -6.7500 -6.7500 -0.4880 -0.4880 -0.2019 -0.2019 1.1209 1.1209 1.5897 1.5897 1.8095 1.8095 2.2200 2.2200 5.7495 5.7495 5.9392 5.9392 7.3474 7.3474 7.5465 7.5465 k = 0.5000 0.2887 0.1470 ( 7152 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8908 -6.8908 -6.7449 -6.7449 -0.4785 -0.4785 -0.1696 -0.1696 1.0674 1.0674 1.5718 1.5718 1.7974 1.7974 2.2280 2.2280 5.7950 5.7950 5.9174 5.9174 7.3650 7.3650 7.6914 7.6914 k = 0.5000 0.2887 0.1323 ( 7162 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.8957 -6.8957 -6.7401 -6.7401 -0.4676 -0.4676 -0.1377 -0.1377 1.0154 1.0154 1.5554 1.5554 1.7817 1.7817 2.2357 2.2357 5.8476 5.8476 5.8979 5.8979 7.3646 7.3646 7.8446 7.8446 k = 0.5000 0.2887 0.1176 ( 7154 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9002 -6.9002 -6.7358 -6.7358 -0.4556 -0.4556 -0.1066 -0.1066 0.9657 0.9657 1.5409 1.5409 1.7627 1.7627 2.2434 2.2434 5.8688 5.8688 5.9189 5.9189 7.3459 7.3459 8.0039 8.0039 k = 0.5000 0.2887 0.1029 ( 7158 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9042 -6.9042 -6.7319 -6.7319 -0.4430 -0.4430 -0.0771 -0.0771 0.9192 0.9192 1.5284 1.5284 1.7414 1.7414 2.2511 2.2511 5.8522 5.8522 5.9861 5.9861 7.3097 7.3097 8.1671 8.1671 k = 0.5000 0.2887 0.0882 ( 7156 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9077 -6.9077 -6.7285 -6.7285 -0.4302 -0.4302 -0.0496 -0.0496 0.8766 0.8766 1.5181 1.5181 1.7189 1.7189 2.2585 2.2585 5.8355 5.8355 6.0611 6.0611 7.2582 7.2582 8.2561 8.2561 k = 0.5000 0.2887 0.0735 ( 7168 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9108 -6.9108 -6.7256 -6.7256 -0.4180 -0.4180 -0.0249 -0.0249 0.8388 0.8388 1.5099 1.5099 1.6963 1.6963 2.2654 2.2654 5.8207 5.8207 6.1403 6.1403 7.1945 7.1945 8.2168 8.2168 k = 0.5000 0.2887 0.0588 ( 7164 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9133 -6.9133 -6.7232 -6.7232 -0.4068 -0.4068 -0.0037 -0.0037 0.8066 0.8066 1.5039 1.5039 1.6751 1.6751 2.2715 2.2715 5.8083 5.8083 6.2215 6.2215 7.1229 7.1229 8.1825 8.1825 k = 0.5000 0.2887 0.0441 ( 7166 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9152 -6.9152 -6.7214 -6.7214 -0.3972 -0.3972 0.0135 0.0135 0.7808 0.7808 1.4997 1.4997 1.6565 1.6565 2.2765 2.2765 5.7986 5.7986 6.3013 6.3013 7.0484 7.0484 8.1555 8.1555 k = 0.5000 0.2887 0.0294 ( 7162 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9166 -6.9166 -6.7200 -6.7200 -0.3899 -0.3899 0.0262 0.0262 0.7618 0.7618 1.4972 1.4972 1.6421 1.6421 2.2803 2.2803 5.7915 5.7915 6.3743 6.3743 6.9782 6.9782 8.1360 8.1360 k = 0.5000 0.2887 0.0147 ( 7176 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9175 -6.9175 -6.7192 -6.7192 -0.3853 -0.3853 0.0340 0.0340 0.7503 0.7503 1.4960 1.4960 1.6328 1.6328 2.2826 2.2826 5.7872 5.7872 6.4299 6.4299 6.9239 6.9239 8.1243 8.1243 k = 0.5000 0.2887-0.0000 ( 7172 PWs) bands (ev): -72.5291 -72.5291 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1820 -39.1820 -39.1820 -39.1820 -6.9178 -6.9178 -6.7189 -6.7189 -0.3837 -0.3837 0.0366 0.0366 0.7464 0.7464 1.4956 1.4956 1.6296 1.6296 2.2834 2.2834 5.7858 5.7858 6.4517 6.4517 6.9023 6.9023 8.1204 8.1204 k = 0.3333 0.5774-0.0000 ( 7185 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1830 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7703 -6.7698 -6.7694 -6.7694 -0.1269 0.0392 0.2251 0.2251 0.3420 0.3420 1.1817 1.1959 1.1959 1.4384 1.5160 1.5160 6.2372 6.2372 7.8700 8.2265 8.2834 8.2834 8.7158 8.7158 k = 0.3333 0.5774 0.0147 ( 7158 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1829 -39.1828 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7703 -6.7697 -6.7694 -6.7694 -0.1289 0.0359 0.2220 0.2220 0.3426 0.3426 1.1868 1.1981 1.1981 1.4420 1.5174 1.5174 6.2416 6.2416 7.8586 8.2082 8.2623 8.2623 8.7158 8.7158 k = 0.3333 0.5774 0.0294 ( 7164 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7702 -6.7697 -6.7693 -6.7693 -0.1346 0.0262 0.2128 0.2128 0.3445 0.3445 1.2019 1.2041 1.2041 1.4527 1.5217 1.5217 6.2548 6.2548 7.8250 8.1560 8.2032 8.2032 8.7156 8.7156 k = 0.3333 0.5774 0.0441 ( 7161 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7701 -6.7696 -6.7692 -6.7692 -0.1438 0.0108 0.1980 0.1980 0.3479 0.3479 1.2122 1.2122 1.2263 1.4702 1.5302 1.5302 6.2766 6.2766 7.7713 8.0766 8.1153 8.1153 8.7145 8.7145 k = 0.3333 0.5774 0.0588 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7699 -6.7694 -6.7690 -6.7690 -0.1561 -0.0096 0.1782 0.1782 0.3531 0.3531 1.2200 1.2200 1.2591 1.4939 1.5441 1.5441 6.3070 6.3070 7.7004 7.9778 8.0081 8.0081 8.7120 8.7120 k = 0.3333 0.5774 0.0735 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7697 -6.7692 -6.7688 -6.7688 -0.1710 -0.0337 0.1545 0.1545 0.3602 0.3602 1.2249 1.2249 1.2988 1.5231 1.5649 1.5649 6.3457 6.3457 7.6159 7.8663 7.8892 7.8892 8.7077 8.7077 k = 0.3333 0.5774 0.0882 ( 7158 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1829 -39.1828 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7694 -6.7690 -6.7686 -6.7686 -0.1880 -0.0607 0.1280 0.1280 0.3691 0.3691 1.2251 1.2251 1.3444 1.5571 1.5933 1.5933 6.3925 6.3925 7.5216 7.7473 7.7638 7.7638 8.7011 8.7011 k = 0.3333 0.5774 0.1029 ( 7158 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4705 -39.4705 -39.1829 -39.1828 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7691 -6.7687 -6.7683 -6.7683 -0.2065 -0.0894 0.0997 0.0997 0.3798 0.3798 1.2198 1.2198 1.3946 1.5950 1.6291 1.6291 6.4470 6.4470 7.4210 7.6246 7.6358 7.6358 8.6917 8.6917 k = 0.3333 0.5774 0.1176 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7688 -6.7684 -6.7680 -6.7680 -0.2258 -0.1190 0.0705 0.0705 0.3921 0.3921 1.2092 1.2092 1.4481 1.6358 1.6711 1.6711 6.5090 6.5090 7.3170 7.5010 7.5080 7.5080 8.6786 8.6786 k = 0.3333 0.5774 0.1323 ( 7179 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7685 -6.7681 -6.7677 -6.7677 -0.2455 -0.1488 0.0414 0.0414 0.4060 0.4060 1.1940 1.1940 1.5039 1.6786 1.7178 1.7178 6.5781 6.5781 7.2123 7.3789 7.3823 7.3823 8.6608 8.6608 k = 0.3333 0.5774 0.1470 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7682 -6.7678 -6.7674 -6.7674 -0.2650 -0.1781 0.0128 0.0128 0.4212 0.4212 1.1751 1.1751 1.5609 1.7224 1.7675 1.7675 6.6539 6.6539 7.1092 7.2598 7.2607 7.2607 8.6373 8.6373 k = 0.3333 0.5774 0.1617 ( 7176 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7678 -6.7674 -6.7671 -6.7671 -0.2839 -0.2065 -0.0146 -0.0146 0.4377 0.4377 1.1534 1.1534 1.6181 1.7663 1.8187 1.8187 6.7357 6.7357 7.0095 7.1445 7.1445 7.1454 8.6067 8.6067 k = 0.3333 0.5774 0.1764 ( 7173 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7675 -6.7671 -6.7668 -6.7668 -0.3018 -0.2334 -0.0404 -0.0404 0.4552 0.4552 1.1298 1.1298 1.6745 1.8091 1.8699 1.8699 6.8227 6.8227 6.9149 7.0357 7.0357 7.0368 8.5677 8.5677 k = 0.3333 0.5774 0.1911 ( 7173 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7671 -6.7668 -6.7665 -6.7665 -0.3183 -0.2586 -0.0643 -0.0643 0.4734 0.4734 1.1049 1.1049 1.7291 1.8501 1.9198 1.9198 6.8267 6.9014 6.9014 6.9352 6.9482 6.9482 8.5193 8.5193 k = 0.3333 0.5774 0.2058 ( 7155 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7668 -6.7665 -6.7662 -6.7662 -0.3332 -0.2818 -0.0859 -0.0859 0.4921 0.4921 1.0795 1.0795 1.7811 1.8881 1.9673 1.9673 6.7464 6.8348 6.8348 6.8418 7.0197 7.0197 8.4605 8.4605 k = 0.3333 0.5774 0.2205 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7665 -6.7663 -6.7659 -6.7659 -0.3461 -0.3027 -0.1051 -0.1051 0.5107 0.5107 1.0545 1.0545 1.8296 1.9222 2.0111 2.0111 6.6752 6.7526 6.7526 6.7573 7.1210 7.1210 8.3911 8.3911 k = 0.3333 0.5774 0.2352 ( 7173 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4707 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7663 -6.7661 -6.7657 -6.7657 -0.3569 -0.3212 -0.1216 -0.1216 0.5288 0.5288 1.0305 1.0305 1.8736 1.9516 2.0503 2.0503 6.6140 6.6804 6.6804 6.6829 7.2269 7.2269 8.3115 8.3115 k = 0.3333 0.5774 0.2499 ( 7167 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4706 -39.4706 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7660 -6.7659 -6.7655 -6.7655 -0.3654 -0.3371 -0.1353 -0.1353 0.5457 0.5457 1.0086 1.0086 1.9125 1.9754 2.0839 2.0839 6.5638 6.6194 6.6197 6.6197 7.3359 7.3359 8.2226 8.2226 k = 0.3333 0.5774 0.2646 ( 7155 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1829 -39.1829 -39.1821 -39.1821 -39.1820 -39.1820 -6.7658 -6.7657 -6.7653 -6.7653 -0.3713 -0.3503 -0.1461 -0.1461 0.5604 0.5604 0.9897 0.9897 1.9454 1.9929 2.1109 2.1110 6.5256 6.5675 6.5715 6.5715 7.4470 7.4470 8.1260 8.1260 k = 0.3333 0.5774 0.2793 ( 7143 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7657 -6.7656 -6.7652 -6.7652 -0.3747 -0.3607 -0.1538 -0.1538 0.5721 0.5721 0.9751 0.9751 1.9716 2.0035 2.1308 2.1308 6.4998 6.5278 6.5365 6.5365 7.5584 7.5584 8.0242 8.0242 k = 0.3333 0.5774 0.2940 ( 7140 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7656 -6.7656 -6.7651 -6.7651 -0.3754 -0.3684 -0.1585 -0.1585 0.5796 0.5796 0.9657 0.9657 1.9909 2.0068 2.1430 2.1430 6.4869 6.5010 6.5153 6.5153 7.6661 7.6661 7.9220 7.9220 k = 0.3333 0.5774 0.3087 ( 7140 PWs) bands (ev): -72.5290 -72.5290 -72.5290 -72.5290 -39.4706 -39.4706 -39.4705 -39.4705 -39.1829 -39.1829 -39.1828 -39.1828 -39.1821 -39.1821 -39.1820 -39.1820 -6.7656 -6.7656 -6.7651 -6.7651 -0.3733 -0.3733 -0.1600 -0.1600 0.5822 0.5822 0.9625 0.9625 2.0026 2.0026 2.1471 2.1471 6.4873 6.4873 6.5082 6.5082 7.7353 7.7353 7.8545 7.8545 Writing output data file MgTe.save init_run : 2.17s CPU 13.20s WALL ( 1 calls) electrons : 472.89s CPU 479.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.28s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 472.87s CPU 479.51s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.55s WALL ( 1 calls) newd : 0.24s CPU 0.52s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.31s WALL ( 290 calls) cegterg : 406.30s CPU 408.84s WALL ( 639 calls) Called by sum_band: Called by *egterg: h_psi : 229.31s CPU 235.07s WALL ( 11206 calls) s_psi : 14.22s CPU 14.83s WALL ( 11206 calls) g_psi : 0.69s CPU 0.72s WALL ( 10277 calls) cdiaghg : 106.41s CPU 104.71s WALL ( 10567 calls) cegterg:over : 33.80s CPU 30.71s WALL ( 10277 calls) cegterg:upda : 8.88s CPU 12.44s WALL ( 10277 calls) cegterg:last : 7.05s CPU 7.65s WALL ( 1509 calls) Called by h_psi: h_psi:vloc : 198.08s CPU 202.88s WALL ( 11206 calls) h_psi:vnl : 30.93s CPU 31.50s WALL ( 11206 calls) add_vuspsi : 9.16s CPU 12.50s WALL ( 11206 calls) General routines calbec : 21.72s CPU 18.83s WALL ( 11206 calls) fft : 0.17s CPU 0.96s WALL ( 19 calls) ffts : 0.01s CPU 0.10s WALL ( 4 calls) fftw : 188.06s CPU 191.36s WALL ( 738072 calls) interpolate : 0.03s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 3.31s WALL ( 580 calls) Parallel routines fft_scatter : 112.45s CPU 112.85s WALL ( 738095 calls) PWSCF : 8m53.38s CPU 13m21.32s WALL This run was terminated on: 3: 5:43 24Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=