Program PWSCF v.5.1.1 starts on 23Jun2015 at 11: 8: 5 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: ./CdAs2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 99 23 6 5671 643 99 Max 100 24 7 5678 670 106 Sum 4783 1145 327 272379 31689 4945 bravais-lattice index = 14 lattice parameter (alat) = 11.5119 a.u. unit-cell volume = 998.2625 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.511912 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.147170 celldm(5)= -0.147170 celldm(6)= -0.705659 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.705659 0.708551 0.000000 ) a(3) = ( -0.147170 -0.354276 0.923488 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.995919 0.541426 ) b(2) = ( 0.000000 1.411331 0.541426 ) b(3) = ( 0.000000 0.000000 1.082851 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) As 5.00 74.92160 As( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 282 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0000000 0.0000000 0.0193366), wk = 0.0035461 k( 3) = ( 0.0000000 0.0000000 0.0386733), wk = 0.0035461 k( 4) = ( 0.0000000 0.0000000 0.0580099), wk = 0.0035461 k( 5) = ( 0.0000000 0.0000000 0.0773465), wk = 0.0035461 k( 6) = ( 0.0000000 0.0000000 0.0966832), wk = 0.0035461 k( 7) = ( 0.0000000 0.0000000 0.1160198), wk = 0.0035461 k( 8) = ( 0.0000000 0.0000000 0.1353564), wk = 0.0035461 k( 9) = ( 0.0000000 0.0000000 0.1546930), wk = 0.0035461 k( 10) = ( 0.0000000 0.0000000 0.1740297), wk = 0.0035461 k( 11) = ( 0.0000000 0.0000000 0.1933663), wk = 0.0035461 k( 12) = ( 0.0000000 0.0000000 0.2127029), wk = 0.0035461 k( 13) = ( 0.0000000 0.0000000 0.2320396), wk = 0.0035461 k( 14) = ( 0.0000000 0.0000000 0.2513762), wk = 0.0035461 k( 15) = ( 0.0000000 0.0000000 0.2707128), wk = 0.0035461 k( 16) = ( 0.0000000 0.0000000 0.2900495), wk = 0.0035461 k( 17) = ( 0.0000000 0.0000000 0.3093861), wk = 0.0035461 k( 18) = ( 0.0000000 0.0000000 0.3287227), wk = 0.0035461 k( 19) = ( 0.0000000 0.0000000 0.3480594), wk = 0.0035461 k( 20) = ( 0.0000000 0.0000000 0.3673960), wk = 0.0035461 k( 21) = ( 0.0000000 0.0000000 0.3867326), wk = 0.0035461 k( 22) = ( 0.0000000 0.0000000 0.4060693), wk = 0.0035461 k( 23) = ( 0.0000000 0.0000000 0.4254059), wk = 0.0035461 k( 24) = ( 0.0000000 0.0000000 0.4447425), wk = 0.0035461 k( 25) = ( 0.0000000 0.0000000 0.4640792), wk = 0.0035461 k( 26) = ( 0.0000000 0.0000000 0.4834158), wk = 0.0035461 k( 27) = ( 0.0000000 0.0000000 0.5027524), wk = 0.0035461 k( 28) = ( 0.0000000 0.0000000 0.5220890), wk = 0.0035461 k( 29) = ( 0.0000000 0.0000000 0.5414257), wk = 0.0035461 k( 30) = ( 0.0000000 0.0000000 0.5414257), wk = 0.0035461 k( 31) = ( -0.0178571 0.0074181 0.5414257), wk = 0.0035461 k( 32) = ( -0.0357143 0.0148361 0.5414257), wk = 0.0035461 k( 33) = ( -0.0535714 0.0222542 0.5414257), wk = 0.0035461 k( 34) = ( -0.0714286 0.0296723 0.5414257), wk = 0.0035461 k( 35) = ( -0.0892857 0.0370903 0.5414257), wk = 0.0035461 k( 36) = ( -0.1071429 0.0445084 0.5414257), wk = 0.0035461 k( 37) = ( -0.1250000 0.0519265 0.5414257), wk = 0.0035461 k( 38) = ( -0.1428571 0.0593446 0.5414257), wk = 0.0035461 k( 39) = ( -0.1607143 0.0667626 0.5414257), wk = 0.0035461 k( 40) = ( -0.1785714 0.0741807 0.5414257), wk = 0.0035461 k( 41) = ( -0.1964286 0.0815988 0.5414257), wk = 0.0035461 k( 42) = ( -0.2142857 0.0890168 0.5414257), wk = 0.0035461 k( 43) = ( -0.2321429 0.0964349 0.5414257), wk = 0.0035461 k( 44) = ( -0.2500000 0.1038530 0.5414257), wk = 0.0035461 k( 45) = ( -0.2678571 0.1112710 0.5414257), wk = 0.0035461 k( 46) = ( -0.2857143 0.1186891 0.5414257), wk = 0.0035461 k( 47) = ( -0.3035714 0.1261072 0.5414257), wk = 0.0035461 k( 48) = ( -0.3214286 0.1335253 0.5414257), wk = 0.0035461 k( 49) = ( -0.3392857 0.1409433 0.5414257), wk = 0.0035461 k( 50) = ( -0.3571429 0.1483614 0.5414257), wk = 0.0035461 k( 51) = ( -0.3750000 0.1557795 0.5414257), wk = 0.0035461 k( 52) = ( -0.3928571 0.1631975 0.5414257), wk = 0.0035461 k( 53) = ( -0.4107143 0.1706156 0.5414257), wk = 0.0035461 k( 54) = ( -0.4285714 0.1780337 0.5414257), wk = 0.0035461 k( 55) = ( -0.4464286 0.1854517 0.5414257), wk = 0.0035461 k( 56) = ( -0.4642857 0.1928698 0.5414257), wk = 0.0035461 k( 57) = ( -0.4821429 0.2002879 0.5414257), wk = 0.0035461 k( 58) = ( -0.5000000 0.2077060 0.5414257), wk = 0.0035461 k( 59) = ( -0.5000000 0.2077060 0.5414257), wk = 0.0035461 k( 60) = ( -0.4875000 0.2025133 0.5278900), wk = 0.0035461 k( 61) = ( -0.4750000 0.1973207 0.5143544), wk = 0.0035461 k( 62) = ( -0.4625000 0.1921280 0.5008187), wk = 0.0035461 k( 63) = ( -0.4500000 0.1869354 0.4872831), wk = 0.0035461 k( 64) = ( -0.4375000 0.1817427 0.4737475), wk = 0.0035461 k( 65) = ( -0.4250000 0.1765501 0.4602118), wk = 0.0035461 k( 66) = ( -0.4125000 0.1713574 0.4466762), wk = 0.0035461 k( 67) = ( -0.4000000 0.1661648 0.4331405), wk = 0.0035461 k( 68) = ( -0.3875000 0.1609721 0.4196049), wk = 0.0035461 k( 69) = ( -0.3750000 0.1557795 0.4060693), wk = 0.0035461 k( 70) = ( -0.3625000 0.1505868 0.3925336), wk = 0.0035461 k( 71) = ( -0.3500000 0.1453942 0.3789980), wk = 0.0035461 k( 72) = ( -0.3375000 0.1402015 0.3654623), wk = 0.0035461 k( 73) = ( -0.3250000 0.1350089 0.3519267), wk = 0.0035461 k( 74) = ( -0.3125000 0.1298162 0.3383910), wk = 0.0035461 k( 75) = ( -0.3000000 0.1246236 0.3248554), wk = 0.0035461 k( 76) = ( -0.2875000 0.1194309 0.3113198), wk = 0.0035461 k( 77) = ( -0.2750000 0.1142383 0.2977841), wk = 0.0035461 k( 78) = ( -0.2625000 0.1090456 0.2842485), wk = 0.0035461 k( 79) = ( -0.2500000 0.1038530 0.2707128), wk = 0.0035461 k( 80) = ( -0.2375000 0.0986603 0.2571772), wk = 0.0035461 k( 81) = ( -0.2250000 0.0934677 0.2436416), wk = 0.0035461 k( 82) = ( -0.2125000 0.0882750 0.2301059), wk = 0.0035461 k( 83) = ( -0.2000000 0.0830824 0.2165703), wk = 0.0035461 k( 84) = ( -0.1875000 0.0778897 0.2030346), wk = 0.0035461 k( 85) = ( -0.1750000 0.0726971 0.1894990), wk = 0.0035461 k( 86) = ( -0.1625000 0.0675044 0.1759633), wk = 0.0035461 k( 87) = ( -0.1500000 0.0623118 0.1624277), wk = 0.0035461 k( 88) = ( -0.1375000 0.0571191 0.1488921), wk = 0.0035461 k( 89) = ( -0.1250000 0.0519265 0.1353564), wk = 0.0035461 k( 90) = ( -0.1125000 0.0467338 0.1218208), wk = 0.0035461 k( 91) = ( -0.1000000 0.0415412 0.1082851), wk = 0.0035461 k( 92) = ( -0.0875000 0.0363485 0.0947495), wk = 0.0035461 k( 93) = ( -0.0750000 0.0311559 0.0812139), wk = 0.0035461 k( 94) = ( -0.0625000 0.0259632 0.0676782), wk = 0.0035461 k( 95) = ( -0.0500000 0.0207706 0.0541426), wk = 0.0035461 k( 96) = ( -0.0375000 0.0155779 0.0406069), wk = 0.0035461 k( 97) = ( -0.0250000 0.0103853 0.0270713), wk = 0.0035461 k( 98) = ( -0.0125000 0.0051926 0.0135356), wk = 0.0035461 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 101) = ( 0.0073105 0.0175982 -0.0000000), wk = 0.0035461 k( 102) = ( 0.0146210 0.0351964 -0.0000000), wk = 0.0035461 k( 103) = ( 0.0219315 0.0527947 -0.0000000), wk = 0.0035461 k( 104) = ( 0.0292420 0.0703929 -0.0000000), wk = 0.0035461 k( 105) = ( 0.0365526 0.0879911 -0.0000000), wk = 0.0035461 k( 106) = ( 0.0438631 0.1055893 -0.0000000), wk = 0.0035461 k( 107) = ( 0.0511736 0.1231876 -0.0000000), wk = 0.0035461 k( 108) = ( 0.0584841 0.1407858 -0.0000000), wk = 0.0035461 k( 109) = ( 0.0657946 0.1583840 -0.0000000), wk = 0.0035461 k( 110) = ( 0.0731051 0.1759822 -0.0000000), wk = 0.0035461 k( 111) = ( 0.0804156 0.1935805 -0.0000000), wk = 0.0035461 k( 112) = ( 0.0877261 0.2111787 -0.0000000), wk = 0.0035461 k( 113) = ( 0.0950367 0.2287769 -0.0000000), wk = 0.0035461 k( 114) = ( 0.1023472 0.2463751 -0.0000000), wk = 0.0035461 k( 115) = ( 0.1096577 0.2639733 -0.0000000), wk = 0.0035461 k( 116) = ( 0.1169682 0.2815716 -0.0000000), wk = 0.0035461 k( 117) = ( 0.1242787 0.2991698 -0.0000000), wk = 0.0035461 k( 118) = ( 0.1315892 0.3167680 -0.0000000), wk = 0.0035461 k( 119) = ( 0.1388997 0.3343662 -0.0000000), wk = 0.0035461 k( 120) = ( 0.1462102 0.3519645 -0.0000000), wk = 0.0035461 k( 121) = ( 0.1535207 0.3695627 -0.0000000), wk = 0.0035461 k( 122) = ( 0.1608313 0.3871609 -0.0000000), wk = 0.0035461 k( 123) = ( 0.1681418 0.4047591 -0.0000000), wk = 0.0035461 k( 124) = ( 0.1754523 0.4223573 -0.0000000), wk = 0.0035461 k( 125) = ( 0.1827628 0.4399556 -0.0000000), wk = 0.0035461 k( 126) = ( 0.1900733 0.4575538 -0.0000000), wk = 0.0035461 k( 127) = ( 0.1973838 0.4751520 -0.0000000), wk = 0.0035461 k( 128) = ( 0.2046943 0.4927503 -0.0000000), wk = 0.0035461 k( 129) = ( 0.2120048 0.5103485 -0.0000000), wk = 0.0035461 k( 130) = ( 0.2193153 0.5279467 -0.0000000), wk = 0.0035461 k( 131) = ( 0.2266258 0.5455449 -0.0000000), wk = 0.0035461 k( 132) = ( 0.2339364 0.5631431 -0.0000000), wk = 0.0035461 k( 133) = ( 0.2412469 0.5807414 -0.0000000), wk = 0.0035461 k( 134) = ( 0.2485574 0.5983396 -0.0000000), wk = 0.0035461 k( 135) = ( 0.2558679 0.6159378 -0.0000000), wk = 0.0035461 k( 136) = ( 0.2631784 0.6335360 -0.0000000), wk = 0.0035461 k( 137) = ( 0.2704889 0.6511343 -0.0000000), wk = 0.0035461 k( 138) = ( 0.2777994 0.6687325 -0.0000000), wk = 0.0035461 k( 139) = ( 0.2851099 0.6863307 -0.0000000), wk = 0.0035461 k( 140) = ( 0.2924205 0.7039289 -0.0000000), wk = 0.0035461 k( 141) = ( 0.2997310 0.7215272 -0.0000000), wk = 0.0035461 k( 142) = ( 0.3070415 0.7391254 -0.0000000), wk = 0.0035461 k( 143) = ( 0.3143520 0.7567236 -0.0000000), wk = 0.0035461 k( 144) = ( 0.3216625 0.7743218 -0.0000000), wk = 0.0035461 k( 145) = ( 0.3289730 0.7919200 -0.0000000), wk = 0.0035461 k( 146) = ( 0.3362835 0.8095183 -0.0000000), wk = 0.0035461 k( 147) = ( 0.3362835 0.8095183 -0.0000000), wk = 0.0035461 k( 148) = ( 0.3335002 0.8028181 0.0174653), wk = 0.0035461 k( 149) = ( 0.3307169 0.7961179 0.0349307), wk = 0.0035461 k( 150) = ( 0.3279335 0.7894177 0.0523960), wk = 0.0035461 k( 151) = ( 0.3251502 0.7827175 0.0698614), wk = 0.0035461 k( 152) = ( 0.3223668 0.7760173 0.0873267), wk = 0.0035461 k( 153) = ( 0.3195835 0.7693171 0.1047921), wk = 0.0035461 k( 154) = ( 0.3168002 0.7626169 0.1222574), wk = 0.0035461 k( 155) = ( 0.3140168 0.7559167 0.1397228), wk = 0.0035461 k( 156) = ( 0.3112335 0.7492165 0.1571881), wk = 0.0035461 k( 157) = ( 0.3084501 0.7425164 0.1746534), wk = 0.0035461 k( 158) = ( 0.3056668 0.7358162 0.1921188), wk = 0.0035461 k( 159) = ( 0.3028834 0.7291160 0.2095841), wk = 0.0035461 k( 160) = ( 0.3001001 0.7224158 0.2270495), wk = 0.0035461 k( 161) = ( 0.2973168 0.7157156 0.2445148), wk = 0.0035461 k( 162) = ( 0.2945334 0.7090154 0.2619802), wk = 0.0035461 k( 163) = ( 0.2917501 0.7023152 0.2794455), wk = 0.0035461 k( 164) = ( 0.2889667 0.6956150 0.2969109), wk = 0.0035461 k( 165) = ( 0.2861834 0.6889148 0.3143762), wk = 0.0035461 k( 166) = ( 0.2834001 0.6822146 0.3318415), wk = 0.0035461 k( 167) = ( 0.2806167 0.6755144 0.3493069), wk = 0.0035461 k( 168) = ( 0.2778334 0.6688142 0.3667722), wk = 0.0035461 k( 169) = ( 0.2750501 0.6621141 0.3842376), wk = 0.0035461 k( 170) = ( 0.2722667 0.6554139 0.4017029), wk = 0.0035461 k( 171) = ( 0.2694834 0.6487137 0.4191683), wk = 0.0035461 k( 172) = ( 0.2667000 0.6420135 0.4366336), wk = 0.0035461 k( 173) = ( 0.2639167 0.6353133 0.4540990), wk = 0.0035461 k( 174) = ( 0.2611334 0.6286131 0.4715643), wk = 0.0035461 k( 175) = ( 0.2583500 0.6219129 0.4890296), wk = 0.0035461 k( 176) = ( 0.2555667 0.6152127 0.5064950), wk = 0.0035461 k( 177) = ( 0.2527833 0.6085125 0.5239603), wk = 0.0035461 k( 178) = ( 0.2500000 0.6018123 0.5414257), wk = 0.0035461 k( 179) = ( 0.2500000 0.6018123 0.5414257), wk = 0.0035461 k( 180) = ( 0.2375000 0.6070050 0.5278900), wk = 0.0035461 k( 181) = ( 0.2250000 0.6121976 0.5143544), wk = 0.0035461 k( 182) = ( 0.2125000 0.6173903 0.5008187), wk = 0.0035461 k( 183) = ( 0.2000000 0.6225829 0.4872831), wk = 0.0035461 k( 184) = ( 0.1875000 0.6277756 0.4737475), wk = 0.0035461 k( 185) = ( 0.1750000 0.6329682 0.4602118), wk = 0.0035461 k( 186) = ( 0.1625000 0.6381609 0.4466762), wk = 0.0035461 k( 187) = ( 0.1500000 0.6433535 0.4331405), wk = 0.0035461 k( 188) = ( 0.1375000 0.6485462 0.4196049), wk = 0.0035461 k( 189) = ( 0.1250000 0.6537388 0.4060693), wk = 0.0035461 k( 190) = ( 0.1125000 0.6589315 0.3925336), wk = 0.0035461 k( 191) = ( 0.1000000 0.6641241 0.3789980), wk = 0.0035461 k( 192) = ( 0.0875000 0.6693168 0.3654623), wk = 0.0035461 k( 193) = ( 0.0750000 0.6745094 0.3519267), wk = 0.0035461 k( 194) = ( 0.0625000 0.6797020 0.3383910), wk = 0.0035461 k( 195) = ( 0.0500000 0.6848947 0.3248554), wk = 0.0035461 k( 196) = ( 0.0375000 0.6900873 0.3113198), wk = 0.0035461 k( 197) = ( 0.0250000 0.6952800 0.2977841), wk = 0.0035461 k( 198) = ( 0.0125000 0.7004726 0.2842485), wk = 0.0035461 k( 199) = ( 0.0000000 0.7056653 0.2707128), wk = 0.0035461 k( 200) = ( 0.0000000 0.7056653 0.2707128), wk = 0.0035461 k( 201) = ( -0.0146210 0.7011500 0.2824830), wk = 0.0035461 k( 202) = ( -0.0292420 0.6966346 0.2942531), wk = 0.0035461 k( 203) = ( -0.0438631 0.6921192 0.3060232), wk = 0.0035461 k( 204) = ( -0.0584841 0.6876039 0.3177933), wk = 0.0035461 k( 205) = ( -0.0731051 0.6830886 0.3295635), wk = 0.0035461 k( 206) = ( -0.0877261 0.6785732 0.3413336), wk = 0.0035461 k( 207) = ( -0.1023472 0.6740579 0.3531037), wk = 0.0035461 k( 208) = ( -0.1169682 0.6695425 0.3648738), wk = 0.0035461 k( 209) = ( -0.1315892 0.6650272 0.3766440), wk = 0.0035461 k( 210) = ( -0.1462102 0.6605118 0.3884141), wk = 0.0035461 k( 211) = ( -0.1608313 0.6559965 0.4001842), wk = 0.0035461 k( 212) = ( -0.1754523 0.6514811 0.4119543), wk = 0.0035461 k( 213) = ( -0.1900733 0.6469658 0.4237244), wk = 0.0035461 k( 214) = ( -0.2046943 0.6424504 0.4354946), wk = 0.0035461 k( 215) = ( -0.2193153 0.6379351 0.4472647), wk = 0.0035461 k( 216) = ( -0.2339364 0.6334197 0.4590348), wk = 0.0035461 k( 217) = ( -0.2485574 0.6289044 0.4708049), wk = 0.0035461 k( 218) = ( -0.2631784 0.6243891 0.4825751), wk = 0.0035461 k( 219) = ( -0.2777994 0.6198737 0.4943452), wk = 0.0035461 k( 220) = ( -0.2924205 0.6153584 0.5061153), wk = 0.0035461 k( 221) = ( -0.3070415 0.6108430 0.5178854), wk = 0.0035461 k( 222) = ( -0.3216625 0.6063277 0.5296556), wk = 0.0035461 k( 223) = ( -0.3362835 0.6018123 0.5414257), wk = 0.0035461 k( 224) = ( -0.3362835 0.6018123 0.5414257), wk = 0.0035461 k( 225) = ( -0.3434016 0.5846773 0.5414257), wk = 0.0035461 k( 226) = ( -0.3505197 0.5675422 0.5414257), wk = 0.0035461 k( 227) = ( -0.3576378 0.5504071 0.5414257), wk = 0.0035461 k( 228) = ( -0.3647559 0.5332721 0.5414257), wk = 0.0035461 k( 229) = ( -0.3718741 0.5161370 0.5414257), wk = 0.0035461 k( 230) = ( -0.3789922 0.4990020 0.5414257), wk = 0.0035461 k( 231) = ( -0.3861103 0.4818669 0.5414257), wk = 0.0035461 k( 232) = ( -0.3932284 0.4647318 0.5414257), wk = 0.0035461 k( 233) = ( -0.4003465 0.4475968 0.5414257), wk = 0.0035461 k( 234) = ( -0.4074646 0.4304617 0.5414257), wk = 0.0035461 k( 235) = ( -0.4145827 0.4133267 0.5414257), wk = 0.0035461 k( 236) = ( -0.4217008 0.3961916 0.5414257), wk = 0.0035461 k( 237) = ( -0.4288189 0.3790566 0.5414257), wk = 0.0035461 k( 238) = ( -0.4359370 0.3619215 0.5414257), wk = 0.0035461 k( 239) = ( -0.4430551 0.3447864 0.5414257), wk = 0.0035461 k( 240) = ( -0.4501733 0.3276514 0.5414257), wk = 0.0035461 k( 241) = ( -0.4572913 0.3105163 0.5414257), wk = 0.0035461 k( 242) = ( -0.4644095 0.2933813 0.5414257), wk = 0.0035461 k( 243) = ( -0.4715276 0.2762462 0.5414257), wk = 0.0035461 k( 244) = ( -0.4786457 0.2591111 0.5414257), wk = 0.0035461 k( 245) = ( -0.4857638 0.2419761 0.5414257), wk = 0.0035461 k( 246) = ( -0.4928819 0.2248410 0.5414257), wk = 0.0035461 k( 247) = ( -0.5000000 0.2077060 0.5414257), wk = 0.0035461 k( 248) = ( 0.0000000 0.0000000 0.5414257), wk = 0.0035461 k( 249) = ( 0.0073529 0.0177004 0.5414257), wk = 0.0035461 k( 250) = ( 0.0147059 0.0354007 0.5414257), wk = 0.0035461 k( 251) = ( 0.0220588 0.0531011 0.5414257), wk = 0.0035461 k( 252) = ( 0.0294118 0.0708014 0.5414257), wk = 0.0035461 k( 253) = ( 0.0367647 0.0885018 0.5414257), wk = 0.0035461 k( 254) = ( 0.0441177 0.1062022 0.5414257), wk = 0.0035461 k( 255) = ( 0.0514706 0.1239025 0.5414257), wk = 0.0035461 k( 256) = ( 0.0588235 0.1416029 0.5414257), wk = 0.0035461 k( 257) = ( 0.0661765 0.1593033 0.5414257), wk = 0.0035461 k( 258) = ( 0.0735294 0.1770036 0.5414257), wk = 0.0035461 k( 259) = ( 0.0808824 0.1947040 0.5414257), wk = 0.0035461 k( 260) = ( 0.0882353 0.2124043 0.5414257), wk = 0.0035461 k( 261) = ( 0.0955882 0.2301047 0.5414257), wk = 0.0035461 k( 262) = ( 0.1029412 0.2478051 0.5414257), wk = 0.0035461 k( 263) = ( 0.1102941 0.2655054 0.5414257), wk = 0.0035461 k( 264) = ( 0.1176471 0.2832058 0.5414257), wk = 0.0035461 k( 265) = ( 0.1250000 0.3009062 0.5414257), wk = 0.0035461 k( 266) = ( 0.1323529 0.3186065 0.5414257), wk = 0.0035461 k( 267) = ( 0.1397059 0.3363069 0.5414257), wk = 0.0035461 k( 268) = ( 0.1470588 0.3540072 0.5414257), wk = 0.0035461 k( 269) = ( 0.1544118 0.3717076 0.5414257), wk = 0.0035461 k( 270) = ( 0.1617647 0.3894080 0.5414257), wk = 0.0035461 k( 271) = ( 0.1691177 0.4071083 0.5414257), wk = 0.0035461 k( 272) = ( 0.1764706 0.4248087 0.5414257), wk = 0.0035461 k( 273) = ( 0.1838235 0.4425091 0.5414257), wk = 0.0035461 k( 274) = ( 0.1911765 0.4602094 0.5414257), wk = 0.0035461 k( 275) = ( 0.1985294 0.4779098 0.5414257), wk = 0.0035461 k( 276) = ( 0.2058823 0.4956101 0.5414257), wk = 0.0035461 k( 277) = ( 0.2132353 0.5133105 0.5414257), wk = 0.0035461 k( 278) = ( 0.2205882 0.5310109 0.5414257), wk = 0.0035461 k( 279) = ( 0.2279412 0.5487112 0.5414257), wk = 0.0035461 k( 280) = ( 0.2352941 0.5664116 0.5414257), wk = 0.0035461 k( 281) = ( 0.2426471 0.5841120 0.5414257), wk = 0.0035461 k( 282) = ( 0.2500000 0.6018123 0.5414257), wk = 0.0035461 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0035461 k( 3) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0035461 k( 4) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0035461 k( 5) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0035461 k( 6) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0035461 k( 7) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0035461 k( 8) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035461 k( 9) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0035461 k( 10) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0035461 k( 11) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0035461 k( 12) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0035461 k( 13) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0035461 k( 14) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0035461 k( 15) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035461 k( 16) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0035461 k( 17) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0035461 k( 18) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0035461 k( 19) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0035461 k( 20) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0035461 k( 21) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0035461 k( 22) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035461 k( 23) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0035461 k( 24) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0035461 k( 25) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0035461 k( 26) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0035461 k( 27) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0035461 k( 28) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0035461 k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 30) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 31) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0035461 k( 32) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0035461 k( 33) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0035461 k( 34) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0035461 k( 35) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0035461 k( 36) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0035461 k( 37) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0035461 k( 38) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0035461 k( 39) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0035461 k( 40) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0035461 k( 41) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0035461 k( 42) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0035461 k( 43) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0035461 k( 44) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0035461 k( 45) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0035461 k( 46) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0035461 k( 47) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0035461 k( 48) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0035461 k( 49) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0035461 k( 50) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0035461 k( 51) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0035461 k( 52) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0035461 k( 53) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0035461 k( 54) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0035461 k( 55) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0035461 k( 56) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0035461 k( 57) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0035461 k( 58) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 59) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 60) = ( -0.4875000 0.4875000 0.4875000), wk = 0.0035461 k( 61) = ( -0.4750000 0.4750000 0.4750000), wk = 0.0035461 k( 62) = ( -0.4625000 0.4625000 0.4625000), wk = 0.0035461 k( 63) = ( -0.4500000 0.4500000 0.4500000), wk = 0.0035461 k( 64) = ( -0.4375000 0.4375000 0.4375000), wk = 0.0035461 k( 65) = ( -0.4250000 0.4250000 0.4250000), wk = 0.0035461 k( 66) = ( -0.4125000 0.4125000 0.4125000), wk = 0.0035461 k( 67) = ( -0.4000000 0.4000000 0.4000000), wk = 0.0035461 k( 68) = ( -0.3875000 0.3875000 0.3875000), wk = 0.0035461 k( 69) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0035461 k( 70) = ( -0.3625000 0.3625000 0.3625000), wk = 0.0035461 k( 71) = ( -0.3500000 0.3500000 0.3500000), wk = 0.0035461 k( 72) = ( -0.3375000 0.3375000 0.3375000), wk = 0.0035461 k( 73) = ( -0.3250000 0.3250000 0.3250000), wk = 0.0035461 k( 74) = ( -0.3125000 0.3125000 0.3125000), wk = 0.0035461 k( 75) = ( -0.3000000 0.3000000 0.3000000), wk = 0.0035461 k( 76) = ( -0.2875000 0.2875000 0.2875000), wk = 0.0035461 k( 77) = ( -0.2750000 0.2750000 0.2750000), wk = 0.0035461 k( 78) = ( -0.2625000 0.2625000 0.2625000), wk = 0.0035461 k( 79) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0035461 k( 80) = ( -0.2375000 0.2375000 0.2375000), wk = 0.0035461 k( 81) = ( -0.2250000 0.2250000 0.2250000), wk = 0.0035461 k( 82) = ( -0.2125000 0.2125000 0.2125000), wk = 0.0035461 k( 83) = ( -0.2000000 0.2000000 0.2000000), wk = 0.0035461 k( 84) = ( -0.1875000 0.1875000 0.1875000), wk = 0.0035461 k( 85) = ( -0.1750000 0.1750000 0.1750000), wk = 0.0035461 k( 86) = ( -0.1625000 0.1625000 0.1625000), wk = 0.0035461 k( 87) = ( -0.1500000 0.1500000 0.1500000), wk = 0.0035461 k( 88) = ( -0.1375000 0.1375000 0.1375000), wk = 0.0035461 k( 89) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0035461 k( 90) = ( -0.1125000 0.1125000 0.1125000), wk = 0.0035461 k( 91) = ( -0.1000000 0.1000000 0.1000000), wk = 0.0035461 k( 92) = ( -0.0875000 0.0875000 0.0875000), wk = 0.0035461 k( 93) = ( -0.0750000 0.0750000 0.0750000), wk = 0.0035461 k( 94) = ( -0.0625000 0.0625000 0.0625000), wk = 0.0035461 k( 95) = ( -0.0500000 0.0500000 0.0500000), wk = 0.0035461 k( 96) = ( -0.0375000 0.0375000 0.0375000), wk = 0.0035461 k( 97) = ( -0.0250000 0.0250000 0.0250000), wk = 0.0035461 k( 98) = ( -0.0125000 0.0125000 0.0125000), wk = 0.0035461 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 101) = ( 0.0073105 0.0073105 -0.0073105), wk = 0.0035461 k( 102) = ( 0.0146210 0.0146210 -0.0146210), wk = 0.0035461 k( 103) = ( 0.0219315 0.0219315 -0.0219315), wk = 0.0035461 k( 104) = ( 0.0292420 0.0292421 -0.0292421), wk = 0.0035461 k( 105) = ( 0.0365526 0.0365526 -0.0365526), wk = 0.0035461 k( 106) = ( 0.0438631 0.0438631 -0.0438631), wk = 0.0035461 k( 107) = ( 0.0511736 0.0511736 -0.0511736), wk = 0.0035461 k( 108) = ( 0.0584841 0.0584841 -0.0584841), wk = 0.0035461 k( 109) = ( 0.0657946 0.0657946 -0.0657946), wk = 0.0035461 k( 110) = ( 0.0731051 0.0731051 -0.0731051), wk = 0.0035461 k( 111) = ( 0.0804156 0.0804156 -0.0804156), wk = 0.0035461 k( 112) = ( 0.0877261 0.0877261 -0.0877261), wk = 0.0035461 k( 113) = ( 0.0950367 0.0950367 -0.0950367), wk = 0.0035461 k( 114) = ( 0.1023472 0.1023472 -0.1023472), wk = 0.0035461 k( 115) = ( 0.1096577 0.1096577 -0.1096577), wk = 0.0035461 k( 116) = ( 0.1169682 0.1169682 -0.1169682), wk = 0.0035461 k( 117) = ( 0.1242787 0.1242787 -0.1242787), wk = 0.0035461 k( 118) = ( 0.1315892 0.1315892 -0.1315892), wk = 0.0035461 k( 119) = ( 0.1388997 0.1388997 -0.1388997), wk = 0.0035461 k( 120) = ( 0.1462102 0.1462102 -0.1462102), wk = 0.0035461 k( 121) = ( 0.1535207 0.1535207 -0.1535207), wk = 0.0035461 k( 122) = ( 0.1608313 0.1608313 -0.1608313), wk = 0.0035461 k( 123) = ( 0.1681418 0.1681418 -0.1681418), wk = 0.0035461 k( 124) = ( 0.1754523 0.1754523 -0.1754523), wk = 0.0035461 k( 125) = ( 0.1827628 0.1827628 -0.1827628), wk = 0.0035461 k( 126) = ( 0.1900733 0.1900733 -0.1900733), wk = 0.0035461 k( 127) = ( 0.1973838 0.1973838 -0.1973838), wk = 0.0035461 k( 128) = ( 0.2046943 0.2046943 -0.2046943), wk = 0.0035461 k( 129) = ( 0.2120048 0.2120048 -0.2120048), wk = 0.0035461 k( 130) = ( 0.2193153 0.2193153 -0.2193153), wk = 0.0035461 k( 131) = ( 0.2266258 0.2266259 -0.2266259), wk = 0.0035461 k( 132) = ( 0.2339364 0.2339364 -0.2339364), wk = 0.0035461 k( 133) = ( 0.2412469 0.2412469 -0.2412469), wk = 0.0035461 k( 134) = ( 0.2485574 0.2485574 -0.2485574), wk = 0.0035461 k( 135) = ( 0.2558679 0.2558679 -0.2558679), wk = 0.0035461 k( 136) = ( 0.2631784 0.2631784 -0.2631784), wk = 0.0035461 k( 137) = ( 0.2704889 0.2704889 -0.2704889), wk = 0.0035461 k( 138) = ( 0.2777994 0.2777994 -0.2777994), wk = 0.0035461 k( 139) = ( 0.2851099 0.2851099 -0.2851099), wk = 0.0035461 k( 140) = ( 0.2924205 0.2924205 -0.2924205), wk = 0.0035461 k( 141) = ( 0.2997310 0.2997310 -0.2997310), wk = 0.0035461 k( 142) = ( 0.3070415 0.3070415 -0.3070415), wk = 0.0035461 k( 143) = ( 0.3143520 0.3143520 -0.3143520), wk = 0.0035461 k( 144) = ( 0.3216625 0.3216625 -0.3216625), wk = 0.0035461 k( 145) = ( 0.3289730 0.3289730 -0.3289730), wk = 0.0035461 k( 146) = ( 0.3362835 0.3362835 -0.3362835), wk = 0.0035461 k( 147) = ( 0.3362835 0.3362835 -0.3362835), wk = 0.0035461 k( 148) = ( 0.3335002 0.3335002 -0.3173712), wk = 0.0035461 k( 149) = ( 0.3307169 0.3307169 -0.2984588), wk = 0.0035461 k( 150) = ( 0.3279335 0.3279335 -0.2795464), wk = 0.0035461 k( 151) = ( 0.3251502 0.3251502 -0.2606340), wk = 0.0035461 k( 152) = ( 0.3223668 0.3223668 -0.2417217), wk = 0.0035461 k( 153) = ( 0.3195835 0.3195835 -0.2228093), wk = 0.0035461 k( 154) = ( 0.3168002 0.3168001 -0.2038969), wk = 0.0035461 k( 155) = ( 0.3140168 0.3140168 -0.1849846), wk = 0.0035461 k( 156) = ( 0.3112335 0.3112335 -0.1660722), wk = 0.0035461 k( 157) = ( 0.3084501 0.3084501 -0.1471598), wk = 0.0035461 k( 158) = ( 0.3056668 0.3056668 -0.1282474), wk = 0.0035461 k( 159) = ( 0.3028834 0.3028834 -0.1093351), wk = 0.0035461 k( 160) = ( 0.3001001 0.3001001 -0.0904227), wk = 0.0035461 k( 161) = ( 0.2973168 0.2973168 -0.0715103), wk = 0.0035461 k( 162) = ( 0.2945334 0.2945334 -0.0525980), wk = 0.0035461 k( 163) = ( 0.2917501 0.2917501 -0.0336856), wk = 0.0035461 k( 164) = ( 0.2889667 0.2889668 -0.0147732), wk = 0.0035461 k( 165) = ( 0.2861834 0.2861834 0.0041392), wk = 0.0035461 k( 166) = ( 0.2834001 0.2834001 0.0230515), wk = 0.0035461 k( 167) = ( 0.2806167 0.2806167 0.0419639), wk = 0.0035461 k( 168) = ( 0.2778334 0.2778334 0.0608763), wk = 0.0035461 k( 169) = ( 0.2750501 0.2750501 0.0797887), wk = 0.0035461 k( 170) = ( 0.2722667 0.2722667 0.0987010), wk = 0.0035461 k( 171) = ( 0.2694834 0.2694834 0.1176134), wk = 0.0035461 k( 172) = ( 0.2667000 0.2667000 0.1365258), wk = 0.0035461 k( 173) = ( 0.2639167 0.2639167 0.1554381), wk = 0.0035461 k( 174) = ( 0.2611334 0.2611334 0.1743505), wk = 0.0035461 k( 175) = ( 0.2583500 0.2583500 0.1932629), wk = 0.0035461 k( 176) = ( 0.2555667 0.2555667 0.2121753), wk = 0.0035461 k( 177) = ( 0.2527833 0.2527833 0.2310876), wk = 0.0035461 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035461 k( 179) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035461 k( 180) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0035461 k( 181) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0035461 k( 182) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0035461 k( 183) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0035461 k( 184) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0035461 k( 185) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0035461 k( 186) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0035461 k( 187) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0035461 k( 188) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0035461 k( 189) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0035461 k( 190) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0035461 k( 191) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0035461 k( 192) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0035461 k( 193) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0035461 k( 194) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0035461 k( 195) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0035461 k( 196) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0035461 k( 197) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0035461 k( 198) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0035461 k( 199) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035461 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035461 k( 201) = ( -0.0146210 0.5071181 0.0146210), wk = 0.0035461 k( 202) = ( -0.0292420 0.5142362 0.0292420), wk = 0.0035461 k( 203) = ( -0.0438631 0.5213543 0.0438631), wk = 0.0035461 k( 204) = ( -0.0584841 0.5284724 0.0584841), wk = 0.0035461 k( 205) = ( -0.0731051 0.5355905 0.0731051), wk = 0.0035461 k( 206) = ( -0.0877261 0.5427087 0.0877261), wk = 0.0035461 k( 207) = ( -0.1023472 0.5498267 0.1023472), wk = 0.0035461 k( 208) = ( -0.1169682 0.5569449 0.1169682), wk = 0.0035461 k( 209) = ( -0.1315892 0.5640630 0.1315892), wk = 0.0035461 k( 210) = ( -0.1462102 0.5711811 0.1462102), wk = 0.0035461 k( 211) = ( -0.1608313 0.5782992 0.1608313), wk = 0.0035461 k( 212) = ( -0.1754523 0.5854173 0.1754523), wk = 0.0035461 k( 213) = ( -0.1900733 0.5925354 0.1900733), wk = 0.0035461 k( 214) = ( -0.2046943 0.5996535 0.2046943), wk = 0.0035461 k( 215) = ( -0.2193153 0.6067716 0.2193153), wk = 0.0035461 k( 216) = ( -0.2339364 0.6138897 0.2339364), wk = 0.0035461 k( 217) = ( -0.2485574 0.6210078 0.2485574), wk = 0.0035461 k( 218) = ( -0.2631784 0.6281259 0.2631784), wk = 0.0035461 k( 219) = ( -0.2777994 0.6352440 0.2777994), wk = 0.0035461 k( 220) = ( -0.2924205 0.6423621 0.2924205), wk = 0.0035461 k( 221) = ( -0.3070415 0.6494803 0.3070415), wk = 0.0035461 k( 222) = ( -0.3216625 0.6565984 0.3216625), wk = 0.0035461 k( 223) = ( -0.3362835 0.6637165 0.3362835), wk = 0.0035461 k( 224) = ( -0.3362835 0.6637165 0.3362835), wk = 0.0035461 k( 225) = ( -0.3434016 0.6565984 0.3434016), wk = 0.0035461 k( 226) = ( -0.3505197 0.6494803 0.3505197), wk = 0.0035461 k( 227) = ( -0.3576378 0.6423621 0.3576379), wk = 0.0035461 k( 228) = ( -0.3647559 0.6352440 0.3647560), wk = 0.0035461 k( 229) = ( -0.3718741 0.6281259 0.3718741), wk = 0.0035461 k( 230) = ( -0.3789922 0.6210078 0.3789922), wk = 0.0035461 k( 231) = ( -0.3861103 0.6138897 0.3861103), wk = 0.0035461 k( 232) = ( -0.3932284 0.6067716 0.3932284), wk = 0.0035461 k( 233) = ( -0.4003465 0.5996535 0.4003465), wk = 0.0035461 k( 234) = ( -0.4074646 0.5925354 0.4074646), wk = 0.0035461 k( 235) = ( -0.4145827 0.5854173 0.4145827), wk = 0.0035461 k( 236) = ( -0.4217008 0.5782992 0.4217008), wk = 0.0035461 k( 237) = ( -0.4288189 0.5711811 0.4288189), wk = 0.0035461 k( 238) = ( -0.4359370 0.5640630 0.4359370), wk = 0.0035461 k( 239) = ( -0.4430551 0.5569449 0.4430551), wk = 0.0035461 k( 240) = ( -0.4501733 0.5498268 0.4501733), wk = 0.0035461 k( 241) = ( -0.4572913 0.5427087 0.4572913), wk = 0.0035461 k( 242) = ( -0.4644095 0.5355905 0.4644095), wk = 0.0035461 k( 243) = ( -0.4715276 0.5284724 0.4715276), wk = 0.0035461 k( 244) = ( -0.4786457 0.5213543 0.4786457), wk = 0.0035461 k( 245) = ( -0.4857638 0.5142362 0.4857638), wk = 0.0035461 k( 246) = ( -0.4928819 0.5071181 0.4928819), wk = 0.0035461 k( 247) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 249) = ( 0.0073529 0.0073529 0.4926471), wk = 0.0035461 k( 250) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0035461 k( 251) = ( 0.0220588 0.0220588 0.4779412), wk = 0.0035461 k( 252) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0035461 k( 253) = ( 0.0367647 0.0367647 0.4632353), wk = 0.0035461 k( 254) = ( 0.0441177 0.0441176 0.4558823), wk = 0.0035461 k( 255) = ( 0.0514706 0.0514706 0.4485294), wk = 0.0035461 k( 256) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0035461 k( 257) = ( 0.0661765 0.0661765 0.4338235), wk = 0.0035461 k( 258) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0035461 k( 259) = ( 0.0808824 0.0808823 0.4191177), wk = 0.0035461 k( 260) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0035461 k( 261) = ( 0.0955882 0.0955882 0.4044118), wk = 0.0035461 k( 262) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0035461 k( 263) = ( 0.1102941 0.1102941 0.3897059), wk = 0.0035461 k( 264) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0035461 k( 265) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035461 k( 266) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0035461 k( 267) = ( 0.1397059 0.1397059 0.3602941), wk = 0.0035461 k( 268) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0035461 k( 269) = ( 0.1544118 0.1544118 0.3455882), wk = 0.0035461 k( 270) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0035461 k( 271) = ( 0.1691177 0.1691177 0.3308823), wk = 0.0035461 k( 272) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0035461 k( 273) = ( 0.1838235 0.1838235 0.3161765), wk = 0.0035461 k( 274) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0035461 k( 275) = ( 0.1985294 0.1985294 0.3014706), wk = 0.0035461 k( 276) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0035461 k( 277) = ( 0.2132353 0.2132353 0.2867647), wk = 0.0035461 k( 278) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0035461 k( 279) = ( 0.2279412 0.2279412 0.2720588), wk = 0.0035461 k( 280) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0035461 k( 281) = ( 0.2426471 0.2426471 0.2573529), wk = 0.0035461 k( 282) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035461 Dense grid: 272379 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 31689 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 174, 52) NL pseudopotentials 0.16 Mb ( 87, 124) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.04 Mb ( 5678) G-vector shells 0.02 Mb ( 2555) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 174, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.20 Mb ( 124, 2, 52) The potential is recalculated from file : ./CdAs2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.2 secs Computing kpt #: 2 total cpu time spent up to now is 43.3 secs Computing kpt #: 3 total cpu time spent up to now is 45.3 secs Computing kpt #: 4 total cpu time spent up to now is 47.3 secs Computing kpt #: 5 total cpu time spent up to now is 49.4 secs Computing kpt #: 6 total cpu time spent up to now is 51.5 secs Computing kpt #: 7 total cpu time spent up to now is 53.6 secs Computing kpt #: 8 total cpu time spent up to now is 55.8 secs Computing kpt #: 9 total cpu time spent up to now is 57.9 secs Computing kpt #: 10 total cpu time spent up to now is 60.1 secs Computing kpt #: 11 total cpu time spent up to now is 62.5 secs Computing kpt #: 12 total cpu time spent up to now is 65.3 secs Computing kpt #: 13 total cpu time spent up to now is 68.3 secs Computing kpt #: 14 total cpu time spent up to now is 70.8 secs Computing kpt #: 15 total cpu time spent up to now is 73.3 secs Computing kpt #: 16 total cpu time spent up to now is 75.8 secs Computing kpt #: 17 total cpu time spent up to now is 78.4 secs Computing kpt #: 18 total cpu time spent up to now is 80.8 secs Computing kpt #: 19 total cpu time spent up to now is 83.1 secs Computing kpt #: 20 total cpu time spent up to now is 85.4 secs Computing kpt #: 21 total cpu time spent up to now is 87.6 secs Computing kpt #: 22 total cpu time spent up to now is 89.7 secs Computing kpt #: 23 total cpu time spent up to now is 91.9 secs Computing kpt #: 24 total cpu time spent up to now is 94.3 secs Computing kpt #: 25 total cpu time spent up to now is 96.3 secs Computing kpt #: 26 total cpu time spent up to now is 98.7 secs Computing kpt #: 27 total cpu time spent up to now is 100.8 secs Computing kpt #: 28 total cpu time spent up to now is 102.9 secs Computing kpt #: 29 total cpu time spent up to now is 105.1 secs Computing kpt #: 30 total cpu time spent up to now is 108.0 secs Computing kpt #: 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up to now is 145.3 secs Computing kpt #: 47 total cpu time spent up to now is 147.4 secs Computing kpt #: 48 total cpu time spent up to now is 149.7 secs Computing kpt #: 49 total cpu time spent up to now is 152.1 secs Computing kpt #: 50 total cpu time spent up to now is 154.5 secs Computing kpt #: 51 total cpu time spent up to now is 158.2 secs Computing kpt #: 52 total cpu time spent up to now is 160.3 secs Computing kpt #: 53 total cpu time spent up to now is 162.5 secs Computing kpt #: 54 total cpu time spent up to now is 164.7 secs Computing kpt #: 55 total cpu time spent up to now is 167.2 secs Computing kpt #: 56 total cpu time spent up to now is 169.5 secs Computing kpt #: 57 total cpu time spent up to now is 171.8 secs Computing kpt #: 58 total cpu time spent up to now is 174.1 secs Computing kpt #: 59 total cpu time spent up to now is 176.5 secs Computing kpt #: 60 total cpu time spent up to now is 178.9 secs Computing kpt #: 61 total cpu time spent up to now is 181.1 secs Computing kpt #: 62 total cpu time spent up to now is 183.2 secs Computing kpt #: 63 total cpu time spent up to now is 185.9 secs Computing kpt #: 64 total cpu time spent up to now is 188.2 secs Computing kpt #: 65 total cpu time spent up to now is 190.6 secs Computing kpt #: 66 total cpu time spent up to now is 192.6 secs Computing kpt #: 67 total cpu time spent up to now is 194.5 secs Computing kpt #: 68 total cpu time spent up to now is 196.4 secs Computing kpt #: 69 total cpu time spent up to now is 198.5 secs Computing kpt #: 70 total cpu time spent up to now is 200.4 secs Computing kpt #: 71 total cpu time spent up to now is 202.4 secs Computing kpt #: 72 total cpu time spent up to now is 204.3 secs Computing kpt #: 73 total cpu time spent up to now is 206.3 secs Computing kpt #: 74 total cpu time spent up to now is 208.3 secs Computing kpt #: 75 total cpu time spent up to now is 210.3 secs Computing kpt #: 76 total cpu time spent up to now is 212.2 secs Computing kpt #: 77 total cpu time spent up to now is 214.1 secs Computing kpt #: 78 total cpu time spent up to now is 216.0 secs Computing kpt #: 79 total cpu time spent up to now is 218.0 secs Computing kpt #: 80 total cpu time spent up to now is 220.0 secs Computing kpt #: 81 total cpu time spent up to now is 222.2 secs Computing kpt #: 82 total cpu time spent up to now is 224.4 secs Computing kpt #: 83 total cpu time spent up to now is 226.5 secs Computing kpt #: 84 total cpu time spent up to now is 228.6 secs Computing kpt #: 85 total cpu time spent up to now is 230.9 secs Computing kpt #: 86 total cpu time spent up to now is 233.3 secs Computing kpt #: 87 total cpu time spent up to now is 235.6 secs Computing kpt #: 88 total cpu time spent up to now is 237.8 secs Computing kpt #: 89 total cpu time spent up to now is 241.2 secs Computing kpt #: 90 total cpu time spent up to now is 243.5 secs Computing kpt #: 91 total cpu time spent up to now is 245.6 secs Computing kpt #: 92 total cpu time spent up to now is 247.7 secs Computing kpt #: 93 total cpu time spent up to now is 250.2 secs Computing kpt #: 94 total cpu time spent up to now is 252.3 secs Computing kpt #: 95 total cpu time spent up to now is 254.3 secs Computing kpt #: 96 total cpu time spent up to now is 256.4 secs Computing kpt #: 97 total cpu time spent up to now is 258.4 secs Computing kpt #: 98 total cpu time spent up to now is 260.5 secs Computing kpt #: 99 total cpu time spent up to now is 262.5 secs Computing kpt #: 100 total cpu time spent up to now is 264.5 secs Computing kpt #: 101 total cpu time spent up to now is 266.5 secs Computing kpt #: 102 total cpu time spent up to now is 268.7 secs Computing kpt #: 103 total cpu time spent up to now is 271.0 secs Computing kpt #: 104 total cpu time spent up to now is 273.3 secs Computing kpt #: 105 total cpu time spent up to now is 275.5 secs Computing kpt #: 106 total cpu time spent up to now is 277.7 secs Computing kpt #: 107 total cpu time spent up to now is 280.6 secs Computing kpt #: 108 total cpu time spent up to now is 283.2 secs Computing kpt #: 109 total cpu time spent up to now is 285.7 secs Computing kpt #: 110 total cpu time spent up to now is 288.1 secs Computing kpt #: 111 total cpu time spent up to now is 290.8 secs Computing kpt #: 112 total cpu time spent up to now is 293.7 secs Computing kpt #: 113 total cpu time spent up to now is 296.6 secs Computing kpt #: 114 total cpu time spent up to now is 299.2 secs Computing kpt #: 115 total cpu time spent up to now is 301.7 secs Computing kpt #: 116 total cpu time spent up to now is 304.4 secs Computing kpt #: 117 total cpu time spent up to now is 306.9 secs Computing kpt #: 118 total cpu time spent up to now is 309.4 secs Computing kpt #: 119 total cpu time spent up to now is 311.6 secs Computing kpt #: 120 total cpu time spent up to now is 314.0 secs Computing kpt #: 121 total cpu time spent up to now is 317.2 secs Computing kpt #: 122 total cpu time spent up to now is 319.6 secs Computing kpt #: 123 total cpu time spent up to now is 321.7 secs Computing kpt #: 124 total cpu time spent up to now is 323.9 secs Computing kpt #: 125 total cpu time spent up to now is 326.4 secs Computing kpt #: 126 total cpu time spent up to now is 328.5 secs Computing kpt #: 127 total cpu time spent up to now is 330.8 secs Computing kpt #: 128 total cpu time spent up to now is 332.7 secs Computing kpt #: 129 total cpu time spent up to now is 334.7 secs Computing kpt #: 130 total cpu time spent up to now is 336.5 secs Computing kpt #: 131 total cpu time spent up to now is 338.6 secs Computing kpt #: 132 total cpu time spent up to now is 340.6 secs Computing kpt #: 133 total cpu time spent up to now is 342.9 secs Computing kpt #: 134 total cpu time spent up to now is 345.0 secs Computing kpt #: 135 total cpu time spent up to now is 347.1 secs Computing kpt #: 136 total cpu time spent up to now is 349.2 secs Computing kpt #: 137 total cpu time spent up to now is 351.5 secs Computing kpt #: 138 total cpu time spent up to now is 354.1 secs Computing kpt #: 139 total cpu time spent up to now is 356.5 secs Computing kpt #: 140 total cpu time spent up to now is 358.9 secs Computing kpt #: 141 total cpu time spent up to now is 361.4 secs Computing kpt #: 142 total cpu time spent up to now is 363.8 secs Computing kpt #: 143 total cpu time spent up to now is 366.6 secs Computing kpt #: 144 total cpu time spent up to now is 369.1 secs Computing kpt #: 145 total cpu time spent up to now is 371.2 secs Computing kpt #: 146 total cpu time spent up to now is 373.3 secs Computing kpt #: 147 total cpu time spent up to now is 375.6 secs Computing kpt #: 148 total cpu time spent up to now is 378.1 secs Computing kpt #: 149 total cpu time spent up to now is 380.3 secs Computing kpt #: 150 total cpu time spent up to now is 383.2 secs Computing kpt #: 151 total cpu time spent up to now is 385.5 secs Computing kpt #: 152 total cpu time spent up to now is 387.6 secs Computing kpt #: 153 total cpu time spent up to now is 389.7 secs Computing kpt #: 154 total cpu time spent up to now is 391.8 secs Computing kpt #: 155 total cpu time spent up to now is 394.0 secs Computing kpt #: 156 total cpu time spent up to now is 396.4 secs Computing kpt #: 157 total cpu time spent up to now is 398.6 secs Computing kpt #: 158 total cpu time spent up to now is 401.0 secs Computing kpt #: 159 total cpu time spent up to now is 402.9 secs Computing kpt #: 160 total cpu time spent up to now is 404.8 secs Computing kpt #: 161 total cpu time spent up to now is 406.8 secs Computing kpt #: 162 total cpu time spent up to now is 409.1 secs Computing kpt #: 163 total cpu time spent up to now is 411.2 secs Computing kpt #: 164 total cpu time spent up to now is 413.1 secs Computing kpt #: 165 total cpu time spent up to now is 415.1 secs Computing kpt #: 166 total cpu time spent up to now is 417.2 secs Computing kpt #: 167 total cpu time spent up to now is 419.3 secs Computing kpt #: 168 total cpu time spent up to now is 421.5 secs Computing kpt #: 169 total cpu time spent up to now is 423.7 secs Computing kpt #: 170 total cpu time spent up to now is 426.0 secs Computing kpt #: 171 total cpu time spent up to now is 428.2 secs Computing kpt #: 172 total cpu time spent up to now is 431.0 secs Computing kpt #: 173 total cpu time spent up to now is 434.2 secs Computing kpt #: 174 total cpu time spent up to now is 436.1 secs Computing kpt #: 175 total cpu time spent up to now is 438.0 secs Computing kpt #: 176 total cpu time spent up to now is 440.2 secs Computing kpt #: 177 total cpu time spent up to now is 442.6 secs Computing kpt #: 178 total cpu time spent up to now is 444.9 secs Computing kpt #: 179 total cpu time spent up to now is 446.8 secs Computing kpt #: 180 total cpu time spent up to now is 448.6 secs Computing kpt #: 181 total cpu time spent up to now is 450.6 secs Computing kpt #: 182 total cpu time spent up to now is 452.7 secs Computing kpt #: 183 total cpu time spent up to now is 454.7 secs Computing kpt #: 184 total cpu time spent up to now is 456.7 secs Computing kpt #: 185 total cpu time spent up to now is 458.9 secs Computing kpt #: 186 total cpu time spent up to now is 461.4 secs Computing kpt #: 187 total cpu time spent up to now is 464.2 secs Computing kpt #: 188 total cpu time spent up to now is 466.8 secs Computing kpt #: 189 total cpu time spent up to now is 469.0 secs Computing kpt #: 190 total cpu time spent up to now is 471.2 secs Computing kpt #: 191 total cpu time spent up to now is 473.5 secs Computing kpt #: 192 total cpu time spent up to now is 475.8 secs Computing kpt #: 193 total cpu time spent up to now is 478.2 secs Computing kpt #: 194 total cpu time spent up to now is 481.3 secs Computing kpt #: 195 total cpu time spent up to now is 483.9 secs Computing kpt #: 196 total cpu time spent up to now is 486.4 secs Computing kpt #: 197 total cpu time spent up to now is 489.0 secs Computing kpt #: 198 total cpu time spent up to now is 491.8 secs Computing kpt #: 199 total cpu time spent up to now is 495.5 secs Computing kpt #: 200 total cpu time spent up to now is 498.1 secs Computing kpt #: 201 total cpu time spent up to now is 501.0 secs Computing kpt #: 202 total cpu time spent up to now is 503.4 secs Computing kpt #: 203 total cpu time spent up to now is 505.9 secs Computing kpt #: 204 total cpu time spent up to now is 508.3 secs Computing kpt #: 205 total cpu time spent up to now is 510.4 secs Computing kpt #: 206 total cpu time spent up to now is 513.1 secs Computing kpt #: 207 total cpu time spent up to now is 515.3 secs Computing kpt #: 208 total cpu time spent up to now is 517.5 secs Computing kpt #: 209 total cpu time spent up to now is 520.1 secs Computing kpt #: 210 total cpu time spent up to now is 522.5 secs Computing kpt #: 211 total cpu time spent up to now is 524.8 secs Computing kpt #: 212 total cpu time spent up to now is 527.1 secs Computing kpt #: 213 total cpu time spent up to now is 529.4 secs Computing kpt #: 214 total cpu time spent up to now is 532.1 secs Computing kpt #: 215 total cpu time spent up to now is 534.3 secs Computing kpt #: 216 total cpu time spent up to now is 536.9 secs Computing kpt #: 217 total cpu time spent up to now is 539.6 secs Computing kpt #: 218 total cpu time spent up to now is 541.8 secs Computing kpt #: 219 total cpu time spent up to now is 544.0 secs Computing kpt #: 220 total cpu time spent up to now is 546.2 secs Computing kpt #: 221 total cpu time spent up to now is 548.7 secs Computing kpt #: 222 total cpu time spent up to now is 551.4 secs Computing kpt #: 223 total cpu time spent up to now is 553.8 secs Computing kpt #: 224 total cpu time spent up to now is 555.9 secs Computing kpt #: 225 total cpu time spent up to now is 558.1 secs Computing kpt #: 226 total cpu time spent up to now is 560.4 secs Computing kpt #: 227 total cpu time spent up to now is 562.4 secs Computing kpt #: 228 total cpu time spent up to now is 564.5 secs Computing kpt #: 229 total cpu time spent up to now is 566.7 secs Computing kpt #: 230 total cpu time spent up to now is 568.9 secs Computing kpt #: 231 total cpu time spent up to now is 571.7 secs Computing kpt #: 232 total cpu time spent up to now is 573.6 secs Computing kpt #: 233 total cpu time spent up to now is 575.4 secs Computing kpt #: 234 total cpu time spent up to now is 577.4 secs Computing kpt #: 235 total cpu time spent up to now is 579.3 secs Computing kpt #: 236 total cpu time spent up to now is 581.1 secs Computing kpt #: 237 total cpu time spent up to now is 582.8 secs Computing kpt #: 238 total cpu time spent up to now is 584.7 secs Computing kpt #: 239 total cpu time spent up to now is 586.6 secs Computing kpt #: 240 total cpu time spent up to now is 588.3 secs Computing kpt #: 241 total cpu time spent up to now is 590.6 secs Computing kpt #: 242 total cpu time spent up to now is 592.5 secs Computing kpt #: 243 total cpu time spent up to now is 594.5 secs Computing kpt #: 244 total cpu time spent up to now is 596.6 secs Computing kpt #: 245 total cpu time spent up to now is 598.8 secs Computing kpt #: 246 total cpu time spent up to now is 601.5 secs Computing kpt #: 247 total cpu time spent up to now is 604.0 secs Computing kpt #: 248 total cpu time spent up to now is 605.9 secs Computing kpt #: 249 total cpu time spent up to now is 607.8 secs Computing kpt #: 250 total cpu time spent up to now is 610.1 secs Computing kpt #: 251 total cpu time spent up to now is 612.3 secs Computing kpt #: 252 total cpu time spent up to now is 614.3 secs Computing kpt #: 253 total cpu time spent up to now is 616.4 secs Computing kpt #: 254 total cpu time spent up to now is 618.4 secs Computing kpt #: 255 total cpu time spent up to now is 620.3 secs Computing kpt #: 256 total cpu time spent up to now is 622.2 secs Computing kpt #: 257 total cpu time spent up to now is 624.9 secs Computing kpt #: 258 total cpu time spent up to now is 627.1 secs Computing kpt #: 259 total cpu time spent up to now is 629.2 secs Computing kpt #: 260 total cpu time spent up to now is 631.5 secs Computing kpt #: 261 total cpu time spent up to now is 634.2 secs Computing kpt #: 262 total cpu time spent up to now is 636.5 secs Computing kpt #: 263 total cpu time spent up to now is 639.5 secs Computing kpt #: 264 total cpu time spent up to now is 642.2 secs Computing kpt #: 265 total cpu time spent up to now is 645.1 secs Computing kpt #: 266 total cpu time spent up to now is 647.2 secs Computing kpt #: 267 total cpu time spent up to now is 649.3 secs Computing kpt #: 268 total cpu time spent up to now is 651.4 secs Computing kpt #: 269 total cpu time spent up to now is 654.0 secs Computing kpt #: 270 total cpu time spent up to now is 656.7 secs Computing kpt #: 271 total cpu time spent up to now is 659.0 secs Computing kpt #: 272 total cpu time spent up to now is 661.4 secs Computing kpt #: 273 total cpu time spent up to now is 663.7 secs Computing kpt #: 274 total cpu time spent up to now is 666.3 secs Computing kpt #: 275 total cpu time spent up to now is 668.6 secs Computing kpt #: 276 total cpu time spent up to now is 670.6 secs Computing kpt #: 277 total cpu time spent up to now is 672.5 secs Computing kpt #: 278 total cpu time spent up to now is 674.6 secs Computing kpt #: 279 total cpu time spent up to now is 676.5 secs Computing kpt #: 280 total cpu time spent up to now is 678.6 secs Computing kpt #: 281 total cpu time spent up to now is 680.5 secs Computing kpt #: 282 total cpu time spent up to now is 682.3 secs ethr = 2.27E-11, avg # of iterations = 38.1 total cpu time spent up to now is 682.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3965 PWs) bands (ev): -6.7873 -6.7873 -4.0084 -4.0084 -4.0008 -4.0008 -2.3574 -2.3574 -2.2757 -2.2757 -2.1521 -2.1521 -2.0189 -2.0189 -1.6871 -1.6871 -1.6094 -1.6094 -1.5866 -1.5866 -1.4422 -1.4422 -1.3531 -1.3531 -1.3171 -1.3171 -0.0183 -0.0183 1.2740 1.2740 2.4034 2.4034 3.9404 3.9404 4.0250 4.0250 4.4812 4.4812 4.5351 4.5351 5.6486 5.6486 5.6761 5.6761 6.8452 6.8452 9.4668 9.4668 9.7711 9.7711 9.8227 9.8227 k = 0.0000 0.0000 0.0193 ( 3953 PWs) bands (ev): -6.7867 -6.7866 -4.0103 -4.0089 -4.0019 -4.0009 -2.3631 -2.3525 -2.2773 -2.2736 -2.1544 -2.1496 -2.0212 -2.0173 -1.6882 -1.6863 -1.6106 -1.6094 -1.5870 -1.5842 -1.4449 -1.4399 -1.3583 -1.3478 -1.3223 -1.3116 -0.0209 -0.0172 1.2755 1.2765 2.4031 2.4062 3.9371 3.9446 4.0226 4.0280 4.4806 4.4830 4.5292 4.5440 5.6437 5.6488 5.6739 5.6750 6.8480 6.8494 9.4503 9.4781 9.7647 9.7851 9.8260 9.8310 k = 0.0000 0.0000 0.0387 ( 3951 PWs) bands (ev): -6.7846 -6.7845 -4.0159 -4.0132 -4.0028 -4.0007 -2.3694 -2.3484 -2.2785 -2.2711 -2.1567 -2.1470 -2.0239 -2.0164 -1.6896 -1.6861 -1.6123 -1.6107 -1.5858 -1.5799 -1.4480 -1.4383 -1.3636 -1.3425 -1.3270 -1.3062 -0.0251 -0.0176 1.2810 1.2831 2.4051 2.4115 3.9342 3.9499 4.0215 4.0311 4.4818 4.4855 4.5272 4.5553 5.6339 5.6448 5.6679 5.6708 6.8579 6.8607 9.4320 9.4820 9.7688 9.7943 9.8397 9.8593 k = 0.0000 0.0000 0.0580 ( 3951 PWs) bands (ev): -6.7812 -6.7810 -4.0263 -4.0224 -4.0023 -3.9989 -2.3763 -2.3451 -2.2791 -2.2682 -2.1589 -2.1443 -2.0269 -2.0164 -1.6910 -1.6866 -1.6136 -1.6127 -1.5836 -1.5746 -1.4514 -1.4375 -1.3689 -1.3371 -1.3308 -1.3010 -0.0307 -0.0195 1.2904 1.2936 2.4096 2.4192 3.9308 3.9560 4.0224 4.0346 4.4856 4.4879 4.5298 4.5684 5.6192 5.6371 5.6580 5.6637 6.8748 6.8787 9.4152 9.4798 9.7762 9.7968 9.8691 9.9057 k = 0.0000 0.0000 0.0773 ( 3947 PWs) bands (ev): -6.7764 -6.7761 -4.0409 -4.0360 -4.0008 -3.9962 -2.3837 -2.3426 -2.2794 -2.2650 -2.1611 -2.1414 -2.0300 -2.0174 -1.6926 -1.6878 -1.6152 -1.6138 -1.5810 -1.5687 -1.4548 -1.4379 -1.3742 -1.3336 -1.3316 -1.2961 -0.0375 -0.0228 1.3036 1.3077 2.4166 2.4292 3.9263 3.9620 4.0257 4.0388 4.4904 4.4923 4.5371 4.5827 5.6002 5.6263 5.6443 5.6540 6.8985 6.9033 9.4015 9.4745 9.7807 9.7960 9.9161 9.9636 k = 0.0000 0.0000 0.0967 ( 3947 PWs) bands (ev): -6.7703 -6.7700 -4.0593 -4.0535 -3.9984 -3.9926 -2.3915 -2.3411 -2.2793 -2.2615 -2.1632 -2.1383 -2.0331 -2.0194 -1.6942 -1.6899 -1.6178 -1.6127 -1.5780 -1.5628 -1.4582 -1.4396 -1.3793 -1.3352 -1.3260 -1.2918 -0.0456 -0.0274 1.3202 1.3253 2.4259 2.4417 3.9204 3.9668 4.0313 4.0445 4.4935 4.5029 4.5488 4.5978 5.5776 5.6129 5.6270 5.6418 6.9286 6.9342 9.3921 9.4690 9.7807 9.7923 9.9775 10.0297 k = 0.0000 0.0000 0.1160 ( 3947 PWs) bands (ev): -6.7629 -6.7625 -4.0812 -4.0746 -3.9954 -3.9885 -2.3997 -2.3404 -2.2790 -2.2579 -2.1654 -2.1351 -2.0360 -2.0225 -1.6959 -1.6926 -1.6203 -1.6103 -1.5749 -1.5569 -1.4616 -1.4429 -1.3839 -1.3357 -1.3205 -1.2879 -0.0547 -0.0332 1.3399 1.3459 2.4376 2.4566 3.9136 3.9696 4.0383 4.0518 4.4976 4.5178 4.5644 4.6132 5.5519 5.5975 5.6068 5.6273 6.9649 6.9710 9.3870 9.4648 9.7759 9.7847 10.0491 10.1019 k = 0.0000 0.0000 0.1354 ( 3951 PWs) bands (ev): -6.7543 -6.7538 -4.1063 -4.0989 -3.9916 -3.9837 -2.4080 -2.3405 -2.2785 -2.2542 -2.1675 -2.1316 -2.0387 -2.0267 -1.6977 -1.6957 -1.6228 -1.6070 -1.5716 -1.5513 -1.4649 -1.4476 -1.3877 -1.3353 -1.3152 -1.2844 -0.0645 -0.0400 1.3623 1.3691 2.4517 2.4737 3.9063 3.9704 4.0457 4.0605 4.5030 4.5378 4.5841 4.6287 5.5240 5.5803 5.5844 5.6110 7.0070 7.0134 9.3860 9.4625 9.7650 9.7713 10.1277 10.1782 k = 0.0000 0.0000 0.1547 ( 3951 PWs) bands (ev): -6.7445 -6.7440 -4.1341 -4.1262 -3.9873 -3.9784 -2.4166 -2.3414 -2.2779 -2.2504 -2.1696 -2.1280 -2.0411 -2.0318 -1.6996 -1.6990 -1.6251 -1.6029 -1.5683 -1.5461 -1.4680 -1.4537 -1.3907 -1.3339 -1.3103 -1.2814 -0.0750 -0.0476 1.3870 1.3946 2.4681 2.4931 3.8991 3.9697 4.0525 4.0696 4.5095 4.5630 4.6079 4.6438 5.4945 5.5587 5.5637 5.5931 7.0547 7.0612 9.3885 9.4619 9.7455 9.7495 10.2101 10.2568 k = 0.0000 0.0000 0.1740 ( 3951 PWs) bands (ev): -6.7336 -6.7330 -4.1644 -4.1561 -3.9825 -3.9727 -2.4252 -2.3431 -2.2773 -2.2467 -2.1718 -2.1242 -2.0430 -2.0377 -1.7025 -1.7018 -1.6272 -1.5983 -1.5650 -1.5413 -1.4709 -1.4607 -1.3929 -1.3319 -1.3058 -1.2788 -0.0860 -0.0560 1.4135 1.4219 2.4866 2.5145 3.8927 3.9680 4.0578 4.0780 4.5165 4.5932 4.6361 4.6587 5.4643 5.5331 5.5457 5.5743 7.1075 7.1141 9.3932 9.4620 9.7145 9.7162 10.2918 10.3348 k = 0.0000 0.0000 0.1934 ( 3955 PWs) bands (ev): -6.7217 -6.7211 -4.1966 -4.1881 -3.9771 -3.9665 -2.4339 -2.3456 -2.2768 -2.2431 -2.1738 -2.1204 -2.0446 -2.0442 -1.7059 -1.7043 -1.6289 -1.5935 -1.5617 -1.5371 -1.4735 -1.4683 -1.3945 -1.3293 -1.3021 -1.2762 -0.0971 -0.0649 1.4414 1.4503 2.5073 2.5378 3.8874 3.9663 4.0612 4.0850 4.5237 4.6265 4.6686 4.6748 5.4339 5.5068 5.5285 5.5552 7.1653 7.1719 9.3986 9.4616 9.6685 9.6688 10.3620 10.4075 k = 0.0000 0.0000 0.2127 ( 3951 PWs) bands (ev): -6.7090 -6.7083 -4.2305 -4.2218 -3.9713 -3.9600 -2.4424 -2.3489 -2.2763 -2.2398 -2.1758 -2.1165 -2.0511 -2.0456 -1.7093 -1.7071 -1.6303 -1.5887 -1.5587 -1.5334 -1.4760 -1.4759 -1.3956 -1.3263 -1.2993 -1.2737 -0.1082 -0.0741 1.4701 1.4796 2.5298 2.5628 3.8838 3.9649 4.0626 4.0900 4.5303 4.6557 4.6979 4.7051 5.4042 5.4803 5.5130 5.5367 7.2277 7.2343 9.4027 9.4586 9.6048 9.6068 10.3935 10.4418 k = 0.0000 0.0000 0.2320 ( 3947 PWs) bands (ev): -6.6954 -6.6947 -4.2656 -4.2569 -3.9651 -3.9533 -2.4508 -2.3532 -2.2758 -2.2367 -2.1777 -2.1126 -2.0580 -2.0463 -1.7126 -1.7101 -1.6314 -1.5841 -1.5560 -1.5302 -1.4832 -1.4778 -1.3962 -1.3230 -1.2977 -1.2711 -0.1191 -0.0835 1.4992 1.5091 2.5539 2.5890 3.8820 3.9643 4.0620 4.0931 4.5360 4.6724 4.7350 4.7446 5.3758 5.4545 5.5002 5.5198 7.2943 7.3010 9.4025 9.4502 9.5259 9.5292 10.3829 10.4074 k = 0.0000 0.0000 0.2514 ( 3955 PWs) bands (ev): -6.6812 -6.6805 -4.3015 -4.2929 -3.9587 -3.9463 -2.4589 -2.3584 -2.2753 -2.2340 -2.1793 -2.1091 -2.0647 -2.0465 -1.7158 -1.7135 -1.6321 -1.5799 -1.5541 -1.5277 -1.4894 -1.4794 -1.3964 -1.3195 -1.2971 -1.2685 -0.1296 -0.0930 1.5283 1.5385 2.5794 2.6163 3.8825 3.9649 4.0598 4.0942 4.5404 4.6806 4.7805 4.7856 5.3493 5.4297 5.4915 5.5056 7.3649 7.3718 9.3916 9.4239 9.4378 9.4486 10.3644 10.3763 k = 0.0000 0.0000 0.2707 ( 3957 PWs) bands (ev): -6.6665 -6.6657 -4.3378 -4.3294 -3.9519 -3.9393 -2.4666 -2.3646 -2.2748 -2.2318 -2.1807 -2.1062 -2.0706 -2.0464 -1.7191 -1.7172 -1.6325 -1.5762 -1.5532 -1.5257 -1.4942 -1.4806 -1.3961 -1.3158 -1.2975 -1.2659 -0.1396 -0.1024 1.5569 1.5673 2.6059 2.6441 3.8854 3.9668 4.0563 4.0939 4.5433 4.6841 4.8264 4.8282 5.3253 5.4064 5.4882 5.4957 7.4390 7.4463 9.3224 9.3310 9.3890 9.4149 10.3491 10.3523 k = 0.0000 0.0000 0.2900 ( 3945 PWs) bands (ev): -6.6514 -6.6507 -4.3741 -4.3659 -3.9450 -3.9322 -2.4739 -2.3717 -2.2742 -2.2302 -2.1817 -2.1048 -2.0749 -2.0459 -1.7224 -1.7211 -1.6325 -1.5732 -1.5535 -1.5244 -1.4971 -1.4814 -1.3955 -1.3121 -1.2988 -1.2635 -0.1489 -0.1117 1.5848 1.5952 2.6329 2.6720 3.8909 3.9700 4.0520 4.0925 4.5446 4.6839 4.8649 4.8746 5.3042 5.3851 5.4919 5.4922 7.5161 7.5239 9.2163 9.2239 9.3596 9.3780 10.3326 10.3367 k = 0.0000 0.0000 0.3094 ( 3939 PWs) bands (ev): -6.6362 -6.6354 -4.4099 -4.4021 -3.9380 -3.9253 -2.4806 -2.3796 -2.2734 -2.2292 -2.1822 -2.1056 -2.0766 -2.0451 -1.7257 -1.7251 -1.6323 -1.5714 -1.5546 -1.5236 -1.4981 -1.4818 -1.3945 -1.3083 -1.3008 -1.2613 -0.1575 -0.1206 1.6114 1.6217 2.6602 2.6994 3.8988 3.9744 4.0472 4.0907 4.5442 4.6803 4.8988 4.9169 5.2865 5.3659 5.4964 5.5048 7.5955 7.6041 9.1059 9.1140 9.3191 9.3293 10.3143 10.3244 k = 0.0000 0.0000 0.3287 ( 3939 PWs) bands (ev): -6.6210 -6.6202 -4.4448 -4.4374 -3.9311 -3.9185 -2.4867 -2.3884 -2.2725 -2.2290 -2.1821 -2.1087 -2.0756 -2.0440 -1.7293 -1.7290 -1.6317 -1.5714 -1.5553 -1.5233 -1.4975 -1.4819 -1.3931 -1.3045 -1.3035 -1.2596 -0.1652 -0.1293 1.6368 1.6468 2.6871 2.7259 3.9091 3.9795 4.0424 4.0891 4.5424 4.6737 4.9265 4.9522 5.2722 5.3490 5.5109 5.5270 7.6763 7.6859 8.9961 9.0051 9.2659 9.2689 10.2945 10.3092 k = 0.0000 0.0000 0.3481 ( 3953 PWs) bands (ev): -6.6060 -6.6052 -4.4785 -4.4716 -3.9242 -3.9119 -2.4921 -2.3978 -2.2714 -2.2293 -2.1816 -2.1132 -2.0729 -2.0429 -1.7335 -1.7324 -1.6310 -1.5738 -1.5548 -1.5235 -1.4959 -1.4817 -1.3912 -1.3067 -1.3007 -1.2582 -0.1720 -0.1375 1.6605 1.6701 2.7133 2.7510 3.9214 3.9848 4.0382 4.0884 4.5392 4.6644 4.9473 4.9789 5.2614 5.3345 5.5364 5.5588 7.7572 7.7683 8.8902 8.9006 9.1986 9.2016 10.2708 10.2884 k = 0.0000 0.0000 0.3674 ( 3949 PWs) bands (ev): -6.5914 -6.5907 -4.5104 -4.5040 -3.9175 -3.9058 -2.4967 -2.4077 -2.2701 -2.2303 -2.1805 -2.1183 -2.0694 -2.0417 -1.7376 -1.7359 -1.6300 -1.5777 -1.5533 -1.5240 -1.4937 -1.4813 -1.3889 -1.3103 -1.2969 -1.2574 -0.1778 -0.1452 1.6824 1.6915 2.7383 2.7743 3.9350 3.9894 4.0351 4.0894 4.5351 4.6527 4.9614 4.9966 5.2540 5.3224 5.5723 5.5989 7.8365 7.8493 8.7914 8.8035 9.1213 9.1288 10.2409 10.2600 k = 0.0000 0.0000 0.3867 ( 3953 PWs) bands (ev): -6.5775 -6.5768 -4.5403 -4.5345 -3.9111 -3.9001 -2.5003 -2.4180 -2.2687 -2.2318 -2.1790 -2.1235 -2.0654 -2.0404 -1.7415 -1.7393 -1.6289 -1.5822 -1.5513 -1.5247 -1.4913 -1.4808 -1.3862 -1.3142 -1.2933 -1.2569 -0.1827 -0.1524 1.7024 1.7109 2.7617 2.7953 3.9487 3.9927 4.0341 4.0926 4.5303 4.6391 4.9700 5.0061 5.2497 5.3124 5.6167 5.6451 7.9112 7.9262 8.7033 8.7177 9.0403 9.0509 10.2034 10.2226 k = 0.0000 0.0000 0.4061 ( 3963 PWs) bands (ev): -6.5645 -6.5638 -4.5676 -4.5625 -3.9050 -3.8949 -2.5029 -2.4283 -2.2671 -2.2337 -2.1771 -2.1285 -2.0614 -2.0393 -1.7453 -1.7427 -1.6275 -1.5870 -1.5492 -1.5257 -1.4889 -1.4803 -1.3832 -1.3185 -1.2897 -1.2570 -0.1867 -0.1592 1.7203 1.7280 2.7833 2.8139 3.9609 3.9942 4.0366 4.0979 4.5254 4.6243 4.9745 5.0094 5.2482 5.3045 5.6664 5.6948 7.9774 7.9949 8.6306 8.6477 8.9589 8.9714 10.1578 10.1761 k = 0.0000 0.0000 0.4254 ( 3965 PWs) bands (ev): -6.5526 -6.5520 -4.5922 -4.5877 -3.8995 -3.8904 -2.5045 -2.4387 -2.2653 -2.2359 -2.1749 -2.1333 -2.0574 -2.0383 -1.7486 -1.7459 -1.6260 -1.5916 -1.5471 -1.5268 -1.4867 -1.4798 -1.3797 -1.3231 -1.2861 -1.2575 -0.1897 -0.1653 1.7361 1.7429 2.8026 2.8298 3.9699 3.9941 4.0435 4.1047 4.5208 4.6088 4.9762 5.0084 5.2490 5.2982 5.7184 5.7451 8.0295 8.0489 8.5794 8.5989 8.8803 8.8939 10.1054 10.1220 k = 0.0000 0.0000 0.4447 ( 3969 PWs) bands (ev): -6.5421 -6.5416 -4.6135 -4.6098 -3.8944 -3.8866 -2.5049 -2.4487 -2.2633 -2.2383 -2.1725 -2.1379 -2.0536 -2.0376 -1.7516 -1.7490 -1.6243 -1.5959 -1.5450 -1.5281 -1.4847 -1.4793 -1.3758 -1.3278 -1.2827 -1.2583 -0.1917 -0.1709 1.7497 1.7555 2.8196 2.8428 3.9752 3.9928 4.0549 4.1119 4.5172 4.5930 4.9765 5.0046 5.2516 5.2932 5.7692 5.7932 8.0620 8.0817 8.5558 8.5762 8.8077 8.8215 10.0485 10.0629 k = 0.0000 0.0000 0.4641 ( 3965 PWs) bands (ev): -6.5331 -6.5327 -4.6314 -4.6283 -3.8900 -3.8836 -2.5042 -2.4584 -2.2612 -2.2409 -2.1698 -2.1423 -2.0500 -2.0372 -1.7540 -1.7517 -1.6225 -1.6000 -1.5430 -1.5294 -1.4830 -1.4790 -1.3717 -1.3327 -1.2794 -1.2596 -0.1930 -0.1759 1.7610 1.7658 2.8341 2.8530 3.9779 3.9907 4.0690 4.1183 4.5150 4.5776 4.9761 4.9995 5.2554 5.2891 5.8162 5.8364 8.0740 8.0915 8.5598 8.5789 8.7440 8.7576 9.9910 10.0028 k = 0.0000 0.0000 0.4834 ( 3976 PWs) bands (ev): -6.5259 -6.5256 -4.6455 -4.6432 -3.8863 -3.8813 -2.5024 -2.4675 -2.2589 -2.2435 -2.1670 -2.1464 -2.0468 -2.0372 -1.7559 -1.7540 -1.6204 -1.6037 -1.5411 -1.5309 -1.4816 -1.4787 -1.3673 -1.3377 -1.2763 -1.2612 -0.1933 -0.1804 1.7700 1.7736 2.8459 2.8604 3.9792 3.9883 4.0838 4.1229 4.5147 4.5630 4.9760 4.9939 5.2600 5.2855 5.8565 5.8723 8.0715 8.0849 8.5818 8.5986 8.6921 8.7052 9.9376 9.9466 k = 0.0000 0.0000 0.5028 ( 3976 PWs) bands (ev): -6.5207 -6.5204 -4.6556 -4.6541 -3.8833 -3.8800 -2.4993 -2.4758 -2.2566 -2.2462 -2.1640 -2.1503 -2.0440 -2.0376 -1.7572 -1.7558 -1.6182 -1.6072 -1.5392 -1.5324 -1.4805 -1.4787 -1.3626 -1.3427 -1.2732 -1.2631 -0.1929 -0.1842 1.7767 1.7791 2.8552 2.8649 3.9800 3.9860 4.0975 4.1246 4.5168 4.5497 4.9765 4.9886 5.2649 5.2820 5.8880 5.8989 8.0634 8.0722 8.6062 8.6209 8.6561 8.6689 9.8939 9.8999 k = 0.0000 0.0000 0.5221 ( 3976 PWs) bands (ev): -6.5174 -6.5173 -4.6616 -4.6608 -3.8812 -3.8795 -2.4950 -2.4832 -2.2541 -2.2489 -2.1608 -2.1540 -2.0417 -2.0385 -1.7578 -1.7571 -1.6158 -1.6103 -1.5374 -1.5340 -1.4797 -1.4788 -1.3578 -1.3478 -1.2704 -1.2653 -0.1918 -0.1874 1.7809 1.7821 2.8617 2.8666 3.9810 3.9839 4.1091 4.1230 4.5214 4.5380 4.9779 4.9840 5.2697 5.2783 5.9089 5.9144 8.0566 8.0610 8.6154 8.6212 8.6517 8.6567 9.8653 9.8683 k = 0.0000 0.0000 0.5414 ( 3976 PWs) bands (ev): -6.5163 -6.5163 -4.6633 -4.6633 -3.8799 -3.8799 -2.4897 -2.4897 -2.2515 -2.2515 -2.1575 -2.1575 -2.0398 -2.0398 -1.7578 -1.7578 -1.6132 -1.6132 -1.5357 -1.5357 -1.4791 -1.4791 -1.3528 -1.3528 -1.2677 -1.2677 -0.1899 -0.1899 1.7827 1.7827 2.8655 2.8655 3.9822 3.9822 4.1178 4.1178 4.5285 4.5285 4.9804 4.9804 5.2742 5.2742 5.9178 5.9178 8.0554 8.0554 8.6143 8.6143 8.6577 8.6577 9.8563 9.8563 k = 0.0000 0.0000 0.5414 ( 3976 PWs) bands (ev): -6.5163 -6.5163 -4.6633 -4.6633 -3.8799 -3.8799 -2.4897 -2.4897 -2.2515 -2.2515 -2.1575 -2.1575 -2.0398 -2.0398 -1.7578 -1.7578 -1.6132 -1.6132 -1.5357 -1.5357 -1.4791 -1.4791 -1.3528 -1.3528 -1.2677 -1.2677 -0.1899 -0.1899 1.7827 1.7827 2.8655 2.8655 3.9822 3.9822 4.1178 4.1178 4.5285 4.5285 4.9804 4.9804 5.2742 5.2742 5.9178 5.9178 8.0554 8.0554 8.6143 8.6143 8.6577 8.6577 9.8563 9.8563 k =-0.0179 0.0074 0.5414 ( 3976 PWs) bands (ev): -6.5156 -6.5155 -4.6633 -4.6628 -3.8828 -3.8813 -2.4926 -2.4878 -2.2567 -2.2457 -2.1591 -2.1557 -2.0413 -2.0386 -1.7655 -1.7508 -1.6151 -1.6107 -1.5377 -1.5330 -1.4814 -1.4766 -1.3544 -1.3511 -1.2726 -1.2629 -0.1926 -0.1901 1.7839 1.7863 2.8654 2.8656 3.9425 4.0038 4.0951 4.1591 4.5202 4.5299 4.9848 4.9930 5.2716 5.2829 5.9152 5.9196 8.0522 8.0547 8.6123 8.6172 8.6567 8.6594 9.8539 9.8622 k =-0.0357 0.0148 0.5414 ( 3970 PWs) bands (ev): -6.5134 -6.5132 -4.6625 -4.6616 -3.8899 -3.8869 -2.4965 -2.4870 -2.2613 -2.2395 -2.1605 -2.1537 -2.0429 -2.0375 -1.7736 -1.7445 -1.6163 -1.6077 -1.5393 -1.5299 -1.4834 -1.4740 -1.3556 -1.3493 -1.2774 -1.2581 -0.1981 -0.1931 1.7897 1.7945 2.8651 2.8655 3.8987 3.9847 4.1138 4.2050 4.5069 4.5248 5.0058 5.0208 5.2752 5.2977 5.9118 5.9205 8.0453 8.0503 8.6110 8.6208 8.6565 8.6620 9.8551 9.8717 k =-0.0536 0.0223 0.5414 ( 3972 PWs) bands (ev): -6.5098 -6.5095 -4.6612 -4.6598 -3.9010 -3.8966 -2.5015 -2.4873 -2.2652 -2.2330 -2.1617 -2.1514 -2.0447 -2.0365 -1.7820 -1.7393 -1.6168 -1.6043 -1.5403 -1.5262 -1.4852 -1.4712 -1.3566 -1.3474 -1.2820 -1.2535 -0.2063 -0.1989 1.8001 1.8073 2.8645 2.8650 3.8541 3.9459 4.1528 4.2520 4.4916 4.5160 5.0408 5.0607 5.2849 5.3185 5.9075 5.9208 8.0349 8.0423 8.6104 8.6248 8.6569 8.6654 9.8596 9.8844 k =-0.0714 0.0297 0.5414 ( 3972 PWs) bands (ev): -6.5048 -6.5044 -4.6592 -4.6573 -3.9161 -3.9104 -2.5074 -2.4886 -2.2685 -2.2263 -2.1629 -2.1489 -2.0465 -2.0356 -1.7905 -1.7352 -1.6167 -1.6006 -1.5407 -1.5221 -1.4866 -1.4683 -1.3573 -1.3455 -1.2862 -1.2490 -0.2172 -0.2073 1.8149 1.8246 2.8631 2.8637 3.8097 3.9032 4.1963 4.2990 4.4777 4.5067 5.0866 5.1097 5.3007 5.3452 5.9024 5.9204 8.0217 8.0313 8.6101 8.6286 8.6579 8.6699 9.8668 9.8997 k =-0.0893 0.0371 0.5414 ( 3960 PWs) bands (ev): -6.4984 -6.4979 -4.6566 -4.6543 -3.9349 -3.9280 -2.5141 -2.4908 -2.2711 -2.2195 -2.1641 -2.1462 -2.0483 -2.0347 -1.7991 -1.7323 -1.6160 -1.5968 -1.5405 -1.5174 -1.4878 -1.4652 -1.3576 -1.3438 -1.2900 -1.2448 -0.2304 -0.2180 1.8340 1.8461 2.8606 2.8612 3.7661 3.8603 4.2408 4.3454 4.4679 4.5000 5.1402 5.1652 5.3225 5.3778 5.8964 5.9197 8.0061 8.0179 8.6098 8.6319 8.6594 8.6756 9.8760 9.9167 k =-0.1071 0.0445 0.5414 ( 3956 PWs) bands (ev): -6.4906 -6.4900 -4.6534 -4.6507 -3.9571 -3.9493 -2.5216 -2.4939 -2.2732 -2.2129 -2.1653 -2.1433 -2.0500 -2.0337 -1.8076 -1.7305 -1.6148 -1.5929 -1.5396 -1.5124 -1.4887 -1.4622 -1.3575 -1.3424 -1.2931 -1.2408 -0.2458 -0.2310 1.8571 1.8715 2.8565 2.8569 3.7236 3.8182 4.2852 4.3908 4.4640 4.4985 5.1992 5.2254 5.3502 5.4159 5.8897 5.9186 7.9888 8.0026 8.6089 8.6339 8.6614 8.6826 9.8862 9.9345 k =-0.1250 0.0519 0.5414 ( 3956 PWs) bands (ev): -6.4815 -6.4809 -4.6497 -4.6466 -3.9825 -3.9738 -2.5297 -2.4980 -2.2746 -2.2065 -2.1667 -2.1403 -2.0516 -2.0324 -1.8160 -1.7299 -1.6133 -1.5893 -1.5381 -1.5070 -1.4893 -1.4590 -1.3571 -1.3417 -1.2951 -1.2371 -0.2632 -0.2459 1.8838 1.9006 2.8503 2.8506 3.6824 3.7773 4.3291 4.4347 4.4678 4.5040 5.2616 5.2887 5.3835 5.4593 5.8824 5.9176 7.9703 7.9862 8.6068 8.6342 8.6642 8.6910 9.8961 9.9515 k =-0.1429 0.0593 0.5414 ( 3938 PWs) bands (ev): -6.4711 -6.4704 -4.6455 -4.6420 -4.0106 -4.0012 -2.5384 -2.5028 -2.2756 -2.2005 -2.1682 -2.1372 -2.0529 -2.0307 -1.8241 -1.7304 -1.6117 -1.5859 -1.5358 -1.5014 -1.4895 -1.4559 -1.3561 -1.3417 -1.2959 -1.2337 -0.2821 -0.2625 1.9138 1.9330 2.8417 2.8417 3.6427 3.7380 4.3722 4.4764 4.4802 4.5184 5.3258 5.3541 5.4222 5.5076 5.8746 5.9169 7.9513 7.9692 8.6027 8.6322 8.6679 8.7010 9.9038 9.9658 k =-0.1607 0.0668 0.5414 ( 3940 PWs) bands (ev): -6.4596 -6.4589 -4.6408 -4.6370 -4.0412 -4.0313 -2.5475 -2.5085 -2.2762 -2.1950 -2.1699 -2.1341 -2.0540 -2.0284 -1.8320 -1.7318 -1.6100 -1.5830 -1.5328 -1.4958 -1.4892 -1.4529 -1.3548 -1.3426 -1.2954 -1.2306 -0.3024 -0.2805 1.9467 1.9683 2.8301 2.8306 3.6047 3.7003 4.4145 4.5017 4.5149 4.5431 5.3898 5.4207 5.4663 5.5600 5.8663 5.9172 7.9321 7.9522 8.5959 8.6276 8.6730 8.7125 9.9070 9.9744 k =-0.1786 0.0742 0.5414 ( 3946 PWs) bands (ev): -6.4471 -6.4462 -4.6357 -4.6317 -4.0738 -4.0636 -2.5568 -2.5148 -2.2763 -2.1904 -2.1716 -2.1311 -2.0546 -2.0256 -1.8396 -1.7341 -1.6083 -1.5805 -1.5292 -1.4912 -1.4877 -1.4499 -1.3529 -1.3443 -1.2936 -1.2278 -0.3237 -0.2996 1.9822 2.0061 2.8159 2.8168 3.5685 3.6645 4.4566 4.5321 4.5519 4.5770 5.4518 5.4877 5.5158 5.6160 5.8581 5.9192 7.9133 7.9357 8.5858 8.6199 8.6795 8.7254 9.9006 9.9717 k =-0.1964 0.0816 0.5414 ( 3954 PWs) bands (ev): -6.4335 -6.4326 -4.6303 -4.6260 -4.1081 -4.0977 -2.5664 -2.5219 -2.2762 -2.1869 -2.1730 -2.1283 -2.0548 -2.0220 -1.8468 -1.7372 -1.6067 -1.5785 -1.5251 -1.4895 -1.4832 -1.4471 -1.3505 -1.3465 -1.2907 -1.2252 -0.3456 -0.3195 2.0196 2.0458 2.7991 2.8005 3.5342 3.6305 4.4990 4.5708 4.5922 4.6151 5.5093 5.5545 5.5704 5.6741 5.8506 5.9240 7.8952 7.9199 8.5717 8.6087 8.6876 8.7398 9.8718 9.9330 k =-0.2143 0.0890 0.5414 ( 3958 PWs) bands (ev): -6.4191 -6.4182 -4.6245 -4.6201 -4.1437 -4.1333 -2.5759 -2.5295 -2.2757 -2.1856 -2.1730 -2.1258 -2.0545 -2.0179 -1.8537 -1.7410 -1.6052 -1.5769 -1.5206 -1.4885 -1.4781 -1.4445 -1.3489 -1.3477 -1.2869 -1.2228 -0.3680 -0.3400 2.0585 2.0869 2.7800 2.7821 3.5021 3.5984 4.5422 4.6171 4.6379 4.6553 5.5611 5.6204 5.6289 5.7318 5.8458 5.9331 7.8778 7.9051 8.5532 8.5934 8.6972 8.7555 9.7945 9.8214 k =-0.2321 0.0964 0.5414 ( 3958 PWs) bands (ev): -6.4040 -6.4030 -4.6186 -4.6139 -4.1801 -4.1698 -2.5854 -2.5378 -2.2751 -2.1869 -2.1713 -2.1236 -2.0536 -2.0132 -1.8603 -1.7454 -1.6038 -1.5756 -1.5158 -1.4875 -1.4733 -1.4422 -1.3514 -1.3445 -1.2824 -1.2207 -0.3904 -0.3608 2.0985 2.1288 2.7591 2.7619 3.4720 3.5682 4.5860 4.6707 4.6847 4.7015 5.6064 5.6845 5.6886 5.7795 5.8533 5.9487 7.8613 7.8914 8.5299 8.5736 8.7079 8.7721 9.6801 9.6919 k =-0.2500 0.1039 0.5414 ( 3948 PWs) bands (ev): -6.3883 -6.3872 -4.6124 -4.6077 -4.2169 -4.2068 -2.5948 -2.5464 -2.2742 -2.1897 -2.1686 -2.1219 -2.0521 -2.0081 -1.8663 -1.7503 -1.6026 -1.5747 -1.5109 -1.4863 -1.4690 -1.4403 -1.3536 -1.3410 -1.2774 -1.2187 -0.4126 -0.3817 2.1390 2.1711 2.7368 2.7403 3.4443 3.5400 4.6301 4.7259 4.7312 4.7597 5.6440 5.7447 5.7473 5.7979 5.8931 5.9729 7.8455 7.8787 8.5016 8.5488 8.7192 8.7890 9.5565 9.5623 k =-0.2679 0.1113 0.5414 ( 3948 PWs) bands (ev): -6.3721 -6.3710 -4.6062 -4.6015 -4.2538 -4.2440 -2.6038 -2.5555 -2.2731 -2.1934 -2.1656 -2.1206 -2.0500 -2.0027 -1.8718 -1.7557 -1.6014 -1.5741 -1.5059 -1.4850 -1.4653 -1.4388 -1.3554 -1.3373 -1.2720 -1.2167 -0.4344 -0.4024 2.1795 2.2130 2.7137 2.7179 3.4188 3.5136 4.6740 4.7646 4.7983 4.8261 5.6727 5.7827 5.8037 5.8165 5.9529 6.0071 7.8301 7.8665 8.4682 8.5187 8.7297 8.8046 9.4345 9.4376 k =-0.2857 0.1187 0.5414 ( 3950 PWs) bands (ev): -6.3557 -6.3546 -4.6000 -4.5953 -4.2903 -4.2809 -2.6124 -2.5648 -2.2718 -2.1974 -2.1627 -2.1198 -2.0472 -1.9972 -1.8767 -1.7616 -1.6002 -1.5738 -1.5010 -1.4836 -1.4621 -1.4379 -1.3566 -1.3336 -1.2663 -1.2149 -0.4553 -0.4227 2.2195 2.2541 2.6901 2.6951 3.3958 3.4891 4.7176 4.8024 4.8711 4.8983 5.6927 5.7809 5.8569 5.8667 6.0180 6.0507 7.8144 7.8540 8.4302 8.4835 8.7369 8.8154 9.3203 9.3232 k =-0.3036 0.1261 0.5414 ( 3950 PWs) bands (ev): -6.3393 -6.3382 -4.5939 -4.5893 -4.3259 -4.3170 -2.6206 -2.5742 -2.2704 -2.2017 -2.1598 -2.1195 -2.0440 -1.9920 -1.8809 -1.7679 -1.5990 -1.5737 -1.4962 -1.4821 -1.4595 -1.4375 -1.3572 -1.3302 -1.2604 -1.2130 -0.4753 -0.4425 2.2585 2.2936 2.6667 2.6725 3.3753 3.4663 4.7608 4.8394 4.9486 4.9749 5.7054 5.7734 5.9066 5.9170 6.0843 6.1016 7.7974 7.8402 8.3887 8.4438 8.7360 8.8140 9.2210 9.2279 k =-0.3214 0.1335 0.5414 ( 3944 PWs) bands (ev): -6.3231 -6.3220 -4.5879 -4.5834 -4.3603 -4.3520 -2.6281 -2.5837 -2.2688 -2.2060 -2.1571 -2.1195 -2.0402 -1.9872 -1.8841 -1.7745 -1.5978 -1.5737 -1.4917 -1.4805 -1.4575 -1.4378 -1.3570 -1.3271 -1.2544 -1.2112 -0.4941 -0.4615 2.2960 2.3310 2.6439 2.6506 3.3573 3.4454 4.8035 4.8756 5.0296 5.0548 5.7128 5.7652 5.9524 5.9631 6.1503 6.1570 7.7778 7.8232 8.3457 8.4013 8.7187 8.7888 9.1463 9.1649 k =-0.3393 0.1409 0.5414 ( 3946 PWs) bands (ev): -6.3073 -6.3062 -4.5821 -4.5779 -4.3930 -4.3853 -2.6350 -2.5932 -2.2671 -2.2104 -2.1544 -2.1200 -2.0361 -1.9831 -1.8863 -1.7815 -1.5966 -1.5740 -1.4873 -1.4787 -1.4560 -1.4386 -1.3561 -1.3245 -1.2483 -1.2094 -0.5114 -0.4797 2.3318 2.3656 2.6220 2.6297 3.3419 3.4261 4.8452 4.9107 5.1128 5.1366 5.7167 5.7573 5.9940 6.0041 6.2144 6.2148 7.7540 7.8010 8.3042 8.3582 8.6776 8.7332 9.1053 9.1421 k =-0.3571 0.1484 0.5414 ( 3944 PWs) bands (ev): -6.2921 -6.2911 -4.5767 -4.5728 -4.4236 -4.4166 -2.6411 -2.6024 -2.2652 -2.2148 -2.1518 -2.1207 -2.0317 -1.9799 -1.8871 -1.7887 -1.5953 -1.5745 -1.4832 -1.4770 -1.4549 -1.4398 -1.3546 -1.3225 -1.2423 -1.2076 -0.5271 -0.4967 2.3652 2.3970 2.6015 2.6104 3.3292 3.4083 4.8857 4.9444 5.1967 5.2188 5.7188 5.7504 6.0308 6.0395 6.2718 6.2770 7.7248 7.7716 8.2672 8.3175 8.6142 8.6559 9.0980 9.1522 k =-0.3750 0.1558 0.5414 ( 3944 PWs) bands (ev): -6.2779 -6.2769 -4.5717 -4.5682 -4.4518 -4.4455 -2.6463 -2.6112 -2.2632 -2.2191 -2.1492 -2.1217 -2.0271 -1.9780 -1.8866 -1.7961 -1.5940 -1.5752 -1.4794 -1.4751 -1.4542 -1.4415 -1.3525 -1.3213 -1.2364 -1.2059 -0.5409 -0.5126 2.3961 2.4246 2.5827 2.5930 3.3192 3.3921 4.9243 4.9760 5.2795 5.2996 5.7203 5.7449 6.0623 6.0693 6.3276 6.3356 7.6893 7.7340 8.2374 8.2816 8.5386 8.5706 9.1156 9.1826 k =-0.3929 0.1632 0.5414 ( 3948 PWs) bands (ev): -6.2649 -6.2640 -4.5673 -4.5642 -4.4769 -4.4714 -2.6506 -2.6196 -2.2611 -2.2232 -2.1468 -2.1229 -2.0223 -1.9773 -1.8845 -1.8037 -1.5926 -1.5760 -1.4759 -1.4732 -1.4539 -1.4435 -1.3500 -1.3208 -1.2308 -1.2044 -0.5528 -0.5271 2.4240 2.4480 2.5659 2.5779 3.3117 3.3773 4.9606 5.0051 5.3588 5.3765 5.7226 5.7416 6.0883 6.0931 6.3802 6.3897 7.6481 7.6888 8.2162 8.2525 8.4607 8.4865 9.1495 9.2249 k =-0.4107 0.1706 0.5414 ( 3942 PWs) bands (ev): -6.2533 -6.2525 -4.5634 -4.5608 -4.4987 -4.4940 -2.6539 -2.6274 -2.2588 -2.2273 -2.1444 -2.1243 -2.0174 -1.9779 -1.8811 -1.8114 -1.5912 -1.5770 -1.4727 -1.4712 -1.4540 -1.4458 -1.3470 -1.3210 -1.2254 -1.2033 -0.5626 -0.5401 2.4486 2.4666 2.5514 2.5655 3.3068 3.3638 4.9937 5.0309 5.4317 5.4467 5.7272 5.7416 6.1085 6.1111 6.4283 6.4381 7.6034 7.6388 8.2028 8.2302 8.3872 8.4091 9.1940 9.2740 k =-0.4286 0.1780 0.5414 ( 3936 PWs) bands (ev): -6.2434 -6.2427 -4.5604 -4.5584 -4.5168 -4.5129 -2.6561 -2.6345 -2.2563 -2.2312 -2.1420 -2.1258 -2.0125 -1.9796 -1.8764 -1.8193 -1.5897 -1.5781 -1.4698 -1.4692 -1.4543 -1.4481 -1.3439 -1.3219 -1.2204 -1.2026 -0.5703 -0.5515 2.4695 2.4802 2.5396 2.5561 3.3043 3.3516 5.0229 5.0527 5.4942 5.5061 5.7358 5.7463 6.1228 6.1236 6.4707 6.4797 7.5589 7.5883 8.1955 8.2137 8.3224 8.3420 9.2451 9.3245 k =-0.4464 0.1855 0.5414 ( 3940 PWs) bands (ev): -6.2354 -6.2349 -4.5586 -4.5570 -4.5304 -4.5274 -2.6572 -2.6408 -2.2538 -2.2349 -2.1397 -2.1275 -2.0076 -1.9822 -1.8708 -1.8271 -1.5882 -1.5793 -1.4673 -1.4672 -1.4548 -1.4504 -1.3405 -1.3234 -1.2159 -1.2025 -0.5756 -0.5611 2.4859 2.4891 2.5313 2.5494 3.3041 3.3406 5.0475 5.0699 5.5424 5.5508 5.7497 5.7566 6.1310 6.1317 6.5058 6.5133 7.5189 7.5416 8.1920 8.2010 8.2700 8.2883 9.2988 9.3660 k =-0.4643 0.1929 0.5414 ( 3948 PWs) bands (ev): -6.2295 -6.2291 -4.5582 -4.5572 -4.5391 -4.5370 -2.6572 -2.6461 -2.2510 -2.2384 -2.1375 -2.1293 -2.0027 -1.9855 -1.8645 -1.8350 -1.5867 -1.5807 -1.4653 -1.4652 -1.4555 -1.4527 -1.3372 -1.3255 -1.2120 -1.2030 -0.5787 -0.5688 2.4941 2.4962 2.5280 2.5447 3.3060 3.3308 5.0667 5.0816 5.5743 5.5793 5.7670 5.7710 6.1347 6.1358 6.5326 6.5379 7.4877 7.5032 8.1890 8.1901 8.2337 8.2503 9.3491 9.3890 k =-0.4821 0.2003 0.5414 ( 3952 PWs) bands (ev): -6.2259 -6.2257 -4.5592 -4.5587 -4.5428 -4.5418 -2.6561 -2.6505 -2.2481 -2.2418 -2.1354 -2.1313 -1.9980 -1.9893 -1.8576 -1.8427 -1.5851 -1.5821 -1.4638 -1.4636 -1.4560 -1.4546 -1.3339 -1.3280 -1.2087 -1.2042 -0.5796 -0.5745 2.4969 2.4994 2.5306 2.5405 3.3098 3.3224 5.0800 5.0874 5.5915 5.5938 5.7821 5.7838 6.1361 6.1369 6.5497 6.5525 7.4689 7.4769 8.1810 8.1827 8.2179 8.2282 9.3863 9.4004 k =-0.5000 0.2077 0.5414 ( 3956 PWs) bands (ev): -6.2246 -6.2246 -4.5598 -4.5598 -4.5434 -4.5434 -2.6538 -2.6538 -2.2450 -2.2450 -2.1333 -2.1333 -1.9935 -1.9935 -1.8503 -1.8503 -1.5836 -1.5836 -1.4631 -1.4631 -1.4558 -1.4558 -1.3308 -1.3308 -1.2061 -1.2061 -0.5781 -0.5781 2.4987 2.4987 2.5358 2.5358 3.3153 3.3153 5.0869 5.0869 5.5974 5.5974 5.7885 5.7885 6.1367 6.1367 6.5565 6.5565 7.4651 7.4651 8.1778 8.1778 8.2182 8.2182 9.4021 9.4021 k =-0.5000 0.2077 0.5414 ( 3956 PWs) bands (ev): -6.2246 -6.2246 -4.5598 -4.5598 -4.5434 -4.5434 -2.6538 -2.6538 -2.2450 -2.2450 -2.1333 -2.1333 -1.9935 -1.9935 -1.8503 -1.8503 -1.5836 -1.5836 -1.4631 -1.4631 -1.4558 -1.4558 -1.3308 -1.3308 -1.2061 -1.2061 -0.5781 -0.5781 2.4987 2.4987 2.5358 2.5358 3.3153 3.3153 5.0869 5.0869 5.5974 5.5974 5.7885 5.7885 6.1367 6.1367 6.5565 6.5565 7.4651 7.4651 8.1778 8.1778 8.2182 8.2182 9.4021 9.4021 k =-0.4875 0.2025 0.5279 ( 3948 PWs) bands (ev): -6.2258 -6.2257 -4.5591 -4.5586 -4.5430 -4.5420 -2.6561 -2.6506 -2.2481 -2.2418 -2.1353 -2.1313 -1.9980 -1.9893 -1.8575 -1.8428 -1.5851 -1.5821 -1.4637 -1.4636 -1.4560 -1.4546 -1.3339 -1.3280 -1.2087 -1.2042 -0.5796 -0.5746 2.4966 2.4998 2.5306 2.5405 3.3099 3.3223 5.0801 5.0874 5.5918 5.5939 5.7821 5.7837 6.1360 6.1371 6.5499 6.5525 7.4689 7.4767 8.1811 8.1833 8.2172 8.2278 9.3853 9.4010 k =-0.4750 0.1973 0.5144 ( 3942 PWs) bands (ev): -6.2294 -6.2291 -4.5567 -4.5555 -4.5408 -4.5388 -2.6572 -2.6462 -2.2510 -2.2385 -2.1375 -2.1293 -2.0026 -1.9855 -1.8643 -1.8351 -1.5866 -1.5807 -1.4654 -1.4651 -1.4553 -1.4528 -1.3372 -1.3255 -1.2119 -1.2030 -0.5788 -0.5689 2.4918 2.4999 2.5269 2.5445 3.3061 3.3306 5.0670 5.0816 5.5773 5.5817 5.7650 5.7677 6.1343 6.1369 6.5339 6.5381 7.4877 7.5030 8.1926 8.1972 8.2255 8.2458 9.3410 9.3872 k =-0.4625 0.1921 0.5008 ( 3946 PWs) bands (ev): -6.2353 -6.2347 -4.5526 -4.5508 -4.5367 -4.5337 -2.6573 -2.6408 -2.2537 -2.2349 -2.1397 -2.1275 -2.0074 -1.9823 -1.8707 -1.8273 -1.5881 -1.5794 -1.4675 -1.4669 -1.4544 -1.4509 -1.3406 -1.3234 -1.2158 -1.2025 -0.5760 -0.5612 2.4820 2.4982 2.5270 2.5488 3.3042 3.3401 5.0480 5.0697 5.5544 5.5612 5.7388 5.7418 6.1299 6.1353 6.5102 6.5141 7.5205 7.5425 8.2114 8.2190 8.2433 8.2717 9.2778 9.3421 k =-0.4500 0.1869 0.4873 ( 3940 PWs) bands (ev): -6.2433 -6.2426 -4.5469 -4.5446 -4.5307 -4.5268 -2.6564 -2.6343 -2.2563 -2.2311 -2.1421 -2.1257 -2.0124 -1.9797 -1.8762 -1.8195 -1.5895 -1.5783 -1.4698 -1.4690 -1.4533 -1.4490 -1.3441 -1.3218 -1.2201 -1.2026 -0.5710 -0.5516 2.4670 2.4928 2.5312 2.5546 3.3043 3.3506 5.0233 5.0519 5.5243 5.5335 5.7052 5.7078 6.1204 6.1304 6.4818 6.4824 7.5654 7.5931 8.2361 8.2477 8.2711 8.3048 9.2067 9.2736 k =-0.4375 0.1817 0.4737 ( 3942 PWs) bands (ev): -6.2534 -6.2526 -4.5398 -4.5371 -4.5226 -4.5179 -2.6545 -2.6269 -2.2589 -2.2271 -2.1445 -2.1240 -2.0174 -1.9782 -1.8808 -1.8116 -1.5909 -1.5773 -1.4722 -1.4714 -1.4522 -1.4472 -1.3476 -1.3207 -1.2246 -1.2034 -0.5640 -0.5402 2.4480 2.4829 2.5384 2.5628 3.3065 3.3621 4.9935 5.0286 5.4879 5.4995 5.6659 5.6673 6.1030 6.1203 6.4456 6.4517 7.6200 7.6522 8.2659 8.2823 8.3083 8.3443 9.1349 9.1994 k =-0.4250 0.1766 0.4602 ( 3946 PWs) bands (ev): -6.2654 -6.2645 -4.5313 -4.5285 -4.5124 -4.5072 -2.6516 -2.6185 -2.2612 -2.2229 -2.1470 -2.1223 -2.0224 -1.9777 -1.8842 -1.8038 -1.5921 -1.5766 -1.4746 -1.4740 -1.4513 -1.4456 -1.3510 -1.3204 -1.2293 -1.2047 -0.5552 -0.5272 2.4254 2.4681 2.5478 2.5736 3.3110 3.3744 4.9591 5.0005 5.4466 5.4605 5.6222 5.6225 6.0756 6.1024 6.4071 6.4232 7.6817 7.7171 8.3002 8.3212 8.3536 8.3894 9.0671 9.1271 k =-0.4125 0.1714 0.4467 ( 3944 PWs) bands (ev): -6.2792 -6.2782 -4.5216 -4.5188 -4.5003 -4.4947 -2.6477 -2.6092 -2.2635 -2.2184 -2.1496 -2.1207 -2.0275 -1.9787 -1.8861 -1.7960 -1.5932 -1.5760 -1.4769 -1.4768 -1.4503 -1.4443 -1.3542 -1.3209 -1.2339 -1.2064 -0.5445 -0.5127 2.3999 2.4487 2.5591 2.5865 3.3178 3.3876 4.9209 4.9682 5.4016 5.4173 5.5739 5.5761 6.0368 6.0744 6.3702 6.3982 7.7475 7.7844 8.3382 8.3621 8.4059 8.4393 9.0083 9.0613 k =-0.4000 0.1662 0.4331 ( 3944 PWs) bands (ev): -6.2947 -6.2935 -4.5107 -4.5080 -4.4863 -4.4806 -2.6430 -2.5991 -2.2657 -2.2137 -2.1523 -2.1192 -2.0325 -1.9810 -1.8865 -1.7883 -1.5941 -1.5758 -1.4798 -1.4793 -1.4495 -1.4433 -1.3573 -1.3223 -1.2382 -1.2085 -0.5322 -0.4969 2.3716 2.4250 2.5717 2.6011 3.3269 3.4016 4.8796 4.9326 5.3539 5.3712 5.5235 5.5277 5.9872 6.0347 6.3375 6.3772 7.8141 7.8505 8.3786 8.4014 8.4643 8.4936 8.9639 9.0065 k =-0.3875 0.1610 0.4196 ( 3940 PWs) bands (ev): -6.3116 -6.3103 -4.4987 -4.4961 -4.4709 -4.4651 -2.6375 -2.5882 -2.2678 -2.2086 -2.1551 -2.1177 -2.0375 -1.9848 -1.8854 -1.7807 -1.5948 -1.5759 -1.4830 -1.4815 -1.4487 -1.4427 -1.3600 -1.3246 -1.2419 -1.2110 -0.5184 -0.4798 2.3408 2.3973 2.5854 2.6169 3.3382 3.4164 4.8361 4.8944 5.3045 5.3228 5.4718 5.4781 5.9286 5.9837 6.3096 6.3593 7.8772 7.9108 8.4197 8.4350 8.5280 8.5526 8.9406 8.9679 k =-0.3750 0.1558 0.4061 ( 3945 PWs) bands (ev): -6.3297 -6.3284 -4.4855 -4.4831 -4.4541 -4.4482 -2.6311 -2.5766 -2.2698 -2.2033 -2.1580 -2.1163 -2.0425 -1.9897 -1.8829 -1.7732 -1.5953 -1.5763 -1.4864 -1.4837 -1.4479 -1.4426 -1.3625 -1.3280 -1.2450 -1.2137 -0.5032 -0.4617 2.3076 2.3660 2.5995 2.6334 3.3517 3.4321 4.7914 4.8548 5.2542 5.2732 5.4195 5.4278 5.8632 5.9234 6.2857 6.3432 7.9312 7.9596 8.4606 8.4609 8.5966 8.6166 8.9434 8.9507 k =-0.3625 0.1506 0.3925 ( 3949 PWs) bands (ev): -6.3490 -6.3476 -4.4712 -4.4691 -4.4361 -4.4302 -2.6241 -2.5643 -2.2717 -2.1977 -2.1610 -2.1150 -2.0475 -1.9957 -1.8792 -1.7658 -1.5956 -1.5771 -1.4899 -1.4858 -1.4473 -1.4428 -1.3646 -1.3323 -1.2475 -1.2167 -0.4867 -0.4428 2.2722 2.3314 2.6138 2.6500 3.3672 3.4485 4.7463 4.8147 5.2036 5.2229 5.3671 5.3773 5.7932 5.8564 6.2642 6.3275 7.9694 7.9911 8.4838 8.5023 8.6697 8.6858 8.9583 8.9730 k =-0.3500 0.1454 0.3790 ( 3945 PWs) bands (ev): -6.3691 -6.3677 -4.4559 -4.4540 -4.4172 -4.4114 -2.6164 -2.5515 -2.2735 -2.1918 -2.1641 -2.1138 -2.0524 -2.0023 -1.8745 -1.7587 -1.5956 -1.5782 -1.4936 -1.4878 -1.4467 -1.4435 -1.3663 -1.3374 -1.2493 -1.2198 -0.4692 -0.4230 2.2348 2.2938 2.6277 2.6663 3.3848 3.4658 4.7017 4.7751 5.1533 5.1728 5.3149 5.3269 5.7203 5.7850 6.2437 6.3114 7.9855 8.0011 8.5128 8.5479 8.7468 8.7598 8.9906 9.0248 k =-0.3375 0.1402 0.3655 ( 3943 PWs) bands (ev): -6.3900 -6.3886 -4.4395 -4.4378 -4.3975 -4.3917 -2.6082 -2.5383 -2.2752 -2.1856 -2.1672 -2.1127 -2.0571 -2.0094 -1.8690 -1.7517 -1.5954 -1.5798 -1.4974 -1.4898 -1.4462 -1.4447 -1.3676 -1.3431 -1.2505 -1.2232 -0.4507 -0.4027 2.1955 2.2535 2.6407 2.6816 3.4043 3.4839 4.6586 4.7369 5.1039 5.1233 5.2632 5.2770 5.6460 5.7110 6.2231 6.2944 7.9780 7.9895 8.5546 8.6000 8.8272 8.8382 9.0437 9.0930 k =-0.3250 0.1350 0.3519 ( 3943 PWs) bands (ev): -6.4114 -6.4100 -4.4222 -4.4208 -4.3772 -4.3715 -2.5994 -2.5247 -2.2767 -2.1797 -2.1700 -2.1117 -2.0618 -2.0167 -1.8629 -1.7449 -1.5949 -1.5818 -1.5014 -1.4917 -1.4464 -1.4455 -1.3685 -1.3491 -1.2514 -1.2266 -0.4314 -0.3818 2.1544 2.2109 2.6522 2.6954 3.4255 3.5028 4.6176 4.7008 5.0558 5.0752 5.2123 5.2280 5.5714 5.6360 6.2019 6.2760 7.9503 7.9600 8.6093 8.6586 8.9105 8.9202 9.1127 9.1725 k =-0.3125 0.1298 0.3384 ( 3951 PWs) bands (ev): -6.4332 -6.4318 -4.4041 -4.4029 -4.3565 -4.3508 -2.5901 -2.5108 -2.2782 -2.1768 -2.1694 -2.1110 -2.0663 -2.0242 -1.8561 -1.7383 -1.5941 -1.5843 -1.5055 -1.4936 -1.4484 -1.4452 -1.3691 -1.3554 -1.2519 -1.2302 -0.4114 -0.3606 2.1119 2.1662 2.6619 2.7070 3.4483 3.5224 4.5794 4.6672 5.0097 5.0289 5.1626 5.1802 5.4972 5.5608 6.1797 6.2561 7.9087 7.9177 8.6732 8.7220 8.9961 9.0054 9.1928 9.2597 k =-0.3000 0.1246 0.3249 ( 3957 PWs) bands (ev): -6.4552 -6.4539 -4.3852 -4.3841 -4.3354 -4.3299 -2.5805 -2.4968 -2.2796 -2.1792 -2.1634 -2.1105 -2.0707 -2.0315 -1.8489 -1.7320 -1.5931 -1.5871 -1.5096 -1.4954 -1.4508 -1.4448 -1.3694 -1.3616 -1.2521 -1.2339 -0.3908 -0.3391 2.0681 2.1199 2.6691 2.7159 3.4727 3.5429 4.5441 4.6364 4.9663 4.9851 5.1144 5.1340 5.4243 5.4864 6.1565 6.2347 7.8583 7.8670 8.7424 8.7879 9.0835 9.0933 9.2803 9.3521 k =-0.2875 0.1194 0.3113 ( 3959 PWs) bands (ev): -6.4774 -6.4760 -4.3656 -4.3647 -4.3142 -4.3087 -2.5706 -2.4827 -2.2809 -2.1828 -2.1562 -2.1104 -2.0748 -2.0384 -1.8412 -1.7260 -1.5919 -1.5904 -1.5138 -1.4974 -1.4535 -1.4444 -1.3695 -1.3676 -1.2523 -1.2377 -0.3697 -0.3175 2.0232 2.0722 2.6735 2.7217 3.4984 3.5640 4.5118 4.6079 4.9265 4.9443 5.0683 5.0899 5.3532 5.4134 6.1320 6.2118 7.8028 7.8114 8.8137 8.8541 9.1722 9.1831 9.3721 9.4474 k =-0.2750 0.1142 0.2978 ( 3957 PWs) bands (ev): -6.4995 -6.4981 -4.3453 -4.3447 -4.2929 -4.2876 -2.5604 -2.4687 -2.2821 -2.1866 -2.1486 -2.1109 -2.0788 -2.0449 -1.8332 -1.7203 -1.5940 -1.5904 -1.5181 -1.4994 -1.4565 -1.4440 -1.3734 -1.3693 -1.2524 -1.2416 -0.3483 -0.2958 1.9774 2.0234 2.6747 2.7239 3.5253 3.5858 4.4821 4.5810 4.8911 4.9069 5.0250 5.0488 5.2846 5.3423 6.1065 6.1874 7.7447 7.7530 8.8848 8.9191 9.2619 9.2745 9.4658 9.5441 k =-0.2625 0.1090 0.2842 ( 3949 PWs) bands (ev): -6.5213 -6.5201 -4.3246 -4.3241 -4.2718 -4.2666 -2.5500 -2.4549 -2.2831 -2.1906 -2.1409 -2.1120 -2.0824 -2.0505 -1.8248 -1.7148 -1.5980 -1.5887 -1.5223 -1.5016 -1.4596 -1.4437 -1.3787 -1.3690 -1.2526 -1.2456 -0.3267 -0.2743 1.9310 1.9739 2.6726 2.7223 3.5534 3.6081 4.4543 4.5545 4.8610 4.8730 4.9857 5.0117 5.2191 5.2735 6.0800 6.1618 7.6856 7.6933 8.9540 8.9814 9.3519 9.3667 9.5592 9.6402 k =-0.2500 0.1039 0.2707 ( 3951 PWs) bands (ev): -6.5429 -6.5417 -4.3034 -4.3032 -4.2508 -4.2458 -2.5394 -2.4414 -2.2840 -2.1948 -2.1332 -2.1139 -2.0855 -2.0551 -1.8161 -1.7097 -1.6023 -1.5870 -1.5265 -1.5040 -1.4629 -1.4433 -1.3834 -1.3685 -1.2529 -1.2497 -0.3050 -0.2529 1.8842 1.9240 2.6672 2.7169 3.5824 3.6310 4.4274 4.5270 4.8357 4.8418 4.9522 4.9808 5.1574 5.2073 6.0527 6.1351 7.6264 7.6335 9.0200 9.0397 9.4415 9.4591 9.6508 9.7344 k =-0.2375 0.0987 0.2572 ( 3951 PWs) bands (ev): -6.5641 -6.5629 -4.2821 -4.2819 -4.2301 -4.2253 -2.5288 -2.4283 -2.2847 -2.1990 -2.1260 -2.1168 -2.0879 -2.0586 -1.8072 -1.7050 -1.6067 -1.5852 -1.5305 -1.5067 -1.4663 -1.4428 -1.3874 -1.3679 -1.2540 -1.2532 -0.2833 -0.2319 1.8373 1.8740 2.6585 2.7078 3.6121 3.6541 4.4003 4.4974 4.8114 4.8136 4.9264 4.9590 5.1010 5.1442 6.0247 6.1074 7.5678 7.5741 9.0816 9.0930 9.5298 9.5508 9.7391 9.8251 k =-0.2250 0.0935 0.2436 ( 3959 PWs) bands (ev): -6.5848 -6.5836 -4.2606 -4.2604 -4.2098 -4.2053 -2.5181 -2.4158 -2.2853 -2.2034 -2.1206 -2.1197 -2.0889 -2.0608 -1.7980 -1.7007 -1.6112 -1.5836 -1.5343 -1.5097 -1.4696 -1.4423 -1.3908 -1.3672 -1.2583 -1.2538 -0.2618 -0.2112 1.7906 1.8242 2.6468 2.6951 3.6425 3.6776 4.3723 4.4654 4.7803 4.7915 4.9081 4.9497 5.0527 5.0844 5.9961 6.0789 7.5103 7.5156 9.1381 9.1406 9.6157 9.6407 9.8230 9.9106 k =-0.2125 0.0883 0.2301 ( 3959 PWs) bands (ev): -6.6048 -6.6037 -4.2392 -4.2387 -4.1901 -4.1858 -2.5074 -2.4039 -2.2856 -2.2079 -2.1249 -2.1157 -2.0876 -2.0619 -1.7888 -1.6968 -1.6157 -1.5823 -1.5378 -1.5130 -1.4729 -1.4417 -1.3935 -1.3664 -1.2627 -1.2547 -0.2405 -0.1912 1.7443 1.7748 2.6325 2.6794 3.6733 3.7010 4.3429 4.4312 4.7479 4.7673 4.8917 4.9537 5.0189 5.0291 5.9673 6.0498 7.4541 7.4585 9.1819 9.1888 9.6975 9.7273 9.9015 9.9892 k =-0.2000 0.0831 0.2166 ( 3959 PWs) bands (ev): -6.6241 -6.6231 -4.2179 -4.2172 -4.1709 -4.1669 -2.4968 -2.3927 -2.2857 -2.2124 -2.1298 -2.1142 -2.0835 -2.0621 -1.7794 -1.6934 -1.6200 -1.5816 -1.5406 -1.5167 -1.4759 -1.4410 -1.3955 -1.3655 -1.2672 -1.2557 -0.2196 -0.1717 1.6986 1.7263 2.6159 2.6612 3.7043 3.7245 4.3121 4.3953 4.7149 4.7409 4.8675 4.9568 4.9918 5.0086 5.9384 6.0203 7.3994 7.4028 9.2168 9.2334 9.7733 9.8084 9.9735 10.0588 k =-0.1875 0.0779 0.2030 ( 3969 PWs) bands (ev): -6.6426 -6.6417 -4.1969 -4.1959 -4.1524 -4.1487 -2.4862 -2.3825 -2.2856 -2.2171 -2.1350 -2.1149 -2.0773 -2.0615 -1.7700 -1.6907 -1.6239 -1.5818 -1.5428 -1.5207 -1.4785 -1.4402 -1.3969 -1.3644 -1.2719 -1.2571 -0.1992 -0.1530 1.6540 1.6789 2.5977 2.6409 3.7352 3.7476 4.2803 4.3585 4.6823 4.7135 4.8337 4.9175 5.0116 5.0220 5.9096 5.9905 7.3465 7.3488 9.2455 9.2719 9.8401 9.8811 10.0375 10.1165 k =-0.1750 0.0727 0.1895 ( 3975 PWs) bands (ev): -6.6603 -6.6594 -4.1762 -4.1750 -4.1346 -4.1314 -2.4758 -2.3734 -2.2852 -2.2217 -2.1401 -2.1166 -2.0701 -2.0602 -1.7607 -1.6886 -1.6272 -1.5831 -1.5443 -1.5250 -1.4806 -1.4392 -1.3975 -1.3633 -1.2767 -1.2588 -0.1794 -0.1352 1.6106 1.6329 2.5783 2.6193 3.7659 3.7703 4.2478 4.3215 4.6508 4.6862 4.7959 4.8721 5.0500 5.0517 5.8811 5.9607 7.2952 7.2966 9.2687 9.3047 9.8947 9.9412 10.0913 10.1589 k =-0.1625 0.0675 0.1760 ( 3967 PWs) bands (ev): -6.6770 -6.6761 -4.1561 -4.1546 -4.1177 -4.1148 -2.4655 -2.3653 -2.2846 -2.2264 -2.1450 -2.1188 -2.0625 -2.0584 -1.7514 -1.6872 -1.6298 -1.5853 -1.5453 -1.5296 -1.4819 -1.4383 -1.3975 -1.3620 -1.2816 -1.2608 -0.1604 -0.1183 1.5687 1.5886 2.5582 2.5968 3.7923 3.7959 4.2154 4.2849 4.6211 4.6598 4.7580 4.8292 5.0920 5.0963 5.8532 5.9310 7.2459 7.2462 9.2870 9.3322 9.9339 9.9837 10.1322 10.1839 k =-0.1500 0.0623 0.1624 ( 3961 PWs) bands (ev): -6.6927 -6.6919 -4.1367 -4.1349 -4.1017 -4.0993 -2.4553 -2.3584 -2.2838 -2.2311 -2.1495 -2.1213 -2.0562 -2.0549 -1.7424 -1.6866 -1.6315 -1.5883 -1.5463 -1.5345 -1.4823 -1.4373 -1.3969 -1.3605 -1.2866 -1.2632 -0.1422 -0.1025 1.5287 1.5462 2.5380 2.5740 3.8134 3.8250 4.1835 4.2493 4.5935 4.6347 4.7217 4.7896 5.1398 5.1482 5.8261 5.9017 7.1976 7.1983 9.3017 9.3553 9.9558 10.0047 10.1575 10.1918 k =-0.1375 0.0571 0.1489 ( 3959 PWs) bands (ev): -6.7074 -6.7066 -4.1182 -4.1161 -4.0866 -4.0847 -2.4454 -2.3528 -2.2829 -2.2357 -2.1535 -2.1239 -2.0537 -2.0477 -1.7336 -1.6867 -1.6322 -1.5919 -1.5476 -1.5395 -1.4816 -1.4364 -1.3957 -1.3589 -1.2917 -1.2659 -0.1250 -0.0879 1.4907 1.5061 2.5181 2.5514 3.8335 3.8527 4.1527 4.2152 4.5685 4.6112 4.6880 4.7533 5.1927 5.2039 5.8001 5.8728 7.1511 7.1527 9.3135 9.3749 9.9614 10.0047 10.1659 10.1841 k =-0.1250 0.0519 0.1354 ( 3955 PWs) bands (ev): -6.7209 -6.7202 -4.1007 -4.0982 -4.0725 -4.0712 -2.4356 -2.3483 -2.2820 -2.2403 -2.1567 -2.1265 -2.0508 -2.0409 -1.7252 -1.6874 -1.6319 -1.5958 -1.5494 -1.5447 -1.4798 -1.4357 -1.3938 -1.3570 -1.2970 -1.2690 -0.1088 -0.0745 1.4551 1.4685 2.4990 2.5294 3.8522 3.8787 4.1234 4.1829 4.5464 4.5895 4.6570 4.7203 5.2489 5.2619 5.7755 5.8448 7.1066 7.1091 9.3237 9.3917 9.9537 9.9887 10.1576 10.1620 k =-0.1125 0.0467 0.1218 ( 3955 PWs) bands (ev): -6.7333 -6.7327 -4.0844 -4.0815 -4.0596 -4.0588 -2.4262 -2.3449 -2.2812 -2.2448 -2.1592 -2.1292 -2.0477 -2.0348 -1.7172 -1.6884 -1.6307 -1.5998 -1.5520 -1.5501 -1.4770 -1.4350 -1.3915 -1.3548 -1.3023 -1.2725 -0.0937 -0.0623 1.4221 1.4337 2.4809 2.5085 3.8694 3.9025 4.0962 4.1529 4.5274 4.5696 4.6289 4.6905 5.3069 5.3210 5.7526 5.8178 7.0642 7.0676 9.3331 9.4068 9.9373 9.9629 10.1274 10.1350 k =-0.1000 0.0415 0.1083 ( 3959 PWs) bands (ev): -6.7445 -6.7440 -4.0693 -4.0661 -4.0478 -4.0475 -2.4170 -2.3426 -2.2806 -2.2492 -2.1609 -2.1318 -2.0444 -2.0294 -1.7098 -1.6894 -1.6289 -1.6037 -1.5555 -1.5552 -1.4733 -1.4346 -1.3886 -1.3523 -1.3076 -1.2764 -0.0799 -0.0516 1.3918 1.4018 2.4643 2.4889 3.8848 3.9234 4.0716 4.1256 4.5118 4.5517 4.6040 4.6638 5.3651 5.3796 5.7316 5.7920 7.0242 7.0282 9.3426 9.4207 9.9159 9.9324 10.0839 10.1011 k =-0.0875 0.0363 0.0947 ( 3953 PWs) bands (ev): -6.7544 -6.7540 -4.0558 -4.0522 -4.0377 -4.0370 -2.4081 -2.3413 -2.2802 -2.2535 -2.1617 -2.1344 -2.0409 -2.0249 -1.7032 -1.6904 -1.6264 -1.6071 -1.5609 -1.5589 -1.4692 -1.4344 -1.3852 -1.3495 -1.3130 -1.2807 -0.0673 -0.0422 1.3647 1.3731 2.4493 2.4709 3.8983 3.9409 4.0502 4.1013 4.4996 4.5357 4.5821 4.6400 5.4221 5.4363 5.7130 5.7677 6.9869 6.9913 9.3530 9.4340 9.8928 9.9002 10.0357 10.0598 k =-0.0750 0.0312 0.0812 ( 3957 PWs) bands (ev): -6.7631 -6.7627 -4.0438 -4.0398 -4.0290 -4.0275 -2.3995 -2.3409 -2.2799 -2.2576 -2.1618 -2.1370 -2.0374 -2.0213 -1.6975 -1.6910 -1.6236 -1.6100 -1.5663 -1.5631 -1.4647 -1.4345 -1.3815 -1.3464 -1.3184 -1.2853 -0.0560 -0.0343 1.3408 1.3477 2.4361 2.4548 3.9097 3.9537 4.0330 4.0803 4.4908 4.5218 4.5636 4.6188 5.4765 5.4897 5.6970 5.7453 6.9526 6.9572 9.3649 9.4470 9.8683 9.8700 9.9867 10.0142 k =-0.0625 0.0260 0.0677 ( 3949 PWs) bands (ev): -6.7705 -6.7702 -4.0335 -4.0292 -4.0215 -4.0194 -2.3913 -2.3414 -2.2798 -2.2614 -2.1612 -2.1396 -2.0338 -2.0186 -1.6928 -1.6912 -1.6204 -1.6120 -1.5716 -1.5675 -1.4603 -1.4349 -1.3773 -1.3431 -1.3236 -1.2902 -0.0461 -0.0279 1.3203 1.3259 2.4251 2.4406 3.9188 3.9606 4.0218 4.0629 4.4851 4.5100 4.5485 4.5999 5.5265 5.5381 5.6839 5.7250 6.9218 6.9264 9.3787 9.4594 9.8379 9.8489 9.9403 9.9674 k =-0.0500 0.0208 0.0541 ( 3945 PWs) bands (ev): -6.7766 -6.7763 -4.0250 -4.0206 -4.0152 -4.0125 -2.3835 -2.3428 -2.2796 -2.2650 -2.1600 -2.1421 -2.0303 -2.0169 -1.6910 -1.6894 -1.6171 -1.6130 -1.5766 -1.5721 -1.4559 -1.4356 -1.3729 -1.3400 -1.3282 -1.2954 -0.0376 -0.0229 1.3034 1.3078 2.4161 2.4286 3.9257 3.9605 4.0173 4.0494 4.4820 4.5002 4.5371 4.5831 5.5706 5.5797 5.6744 5.7072 6.8952 6.8995 9.3946 9.4705 9.8098 9.8306 9.8998 9.9218 k =-0.0375 0.0156 0.0406 ( 3945 PWs) bands (ev): -6.7813 -6.7811 -4.0182 -4.0143 -4.0098 -4.0072 -2.3761 -2.3452 -2.2792 -2.2683 -2.1584 -2.1447 -2.0270 -2.0162 -1.6903 -1.6873 -1.6139 -1.6130 -1.5812 -1.5766 -1.4518 -1.4366 -1.3682 -1.3394 -1.3298 -1.3007 -0.0306 -0.0195 1.2902 1.2934 2.4094 2.4188 3.9307 3.9559 4.0177 4.0394 4.4807 4.4925 4.5300 4.5681 5.6071 5.6125 5.6691 5.6923 6.8735 6.8771 9.4124 9.4788 9.7861 9.8151 9.8672 9.8803 k =-0.0250 0.0104 0.0271 ( 3949 PWs) bands (ev): -6.7847 -6.7845 -4.0133 -4.0104 -4.0053 -4.0033 -2.3693 -2.3484 -2.2785 -2.2712 -2.1565 -2.1472 -2.0239 -2.0163 -1.6893 -1.6863 -1.6120 -1.6111 -1.5848 -1.5808 -1.4482 -1.4380 -1.3633 -1.3430 -1.3269 -1.3062 -0.0250 -0.0176 1.2809 1.2830 2.4051 2.4113 3.9342 3.9499 4.0199 4.0326 4.4803 4.4869 4.5274 4.5551 5.6337 5.6339 5.6693 5.6813 6.8575 6.8602 9.4314 9.4820 9.7698 9.8012 9.8436 9.8468 k =-0.0125 0.0052 0.0135 ( 3951 PWs) bands (ev): -6.7867 -6.7866 -4.0100 -4.0085 -4.0022 -4.0012 -2.3630 -2.3525 -2.2773 -2.2736 -2.1544 -2.1497 -2.0212 -2.0173 -1.6882 -1.6864 -1.6106 -1.6095 -1.5869 -1.5843 -1.4449 -1.4399 -1.3582 -1.3479 -1.3223 -1.3117 -0.0209 -0.0172 1.2754 1.2765 2.4031 2.4062 3.9371 3.9446 4.0224 4.0281 4.4804 4.4832 4.5293 4.5439 5.6442 5.6474 5.6736 5.6763 6.8479 6.8493 9.4503 9.4780 9.7646 9.7859 9.8272 9.8288 k = 0.0000 0.0000 0.0000 ( 3965 PWs) bands (ev): -6.7873 -6.7873 -4.0084 -4.0084 -4.0008 -4.0008 -2.3574 -2.3574 -2.2757 -2.2757 -2.1521 -2.1521 -2.0189 -2.0189 -1.6871 -1.6871 -1.6094 -1.6094 -1.5866 -1.5866 -1.4422 -1.4422 -1.3531 -1.3531 -1.3171 -1.3171 -0.0183 -0.0183 1.2740 1.2740 2.4034 2.4034 3.9404 3.9404 4.0250 4.0250 4.4812 4.4812 4.5351 4.5351 5.6486 5.6486 5.6761 5.6761 6.8452 6.8452 9.4668 9.4668 9.7711 9.7711 9.8227 9.8227 k = 0.0000 0.0000 0.0000 ( 3965 PWs) bands (ev): -6.7873 -6.7873 -4.0084 -4.0084 -4.0008 -4.0008 -2.3574 -2.3574 -2.2757 -2.2757 -2.1521 -2.1521 -2.0189 -2.0189 -1.6871 -1.6871 -1.6094 -1.6094 -1.5866 -1.5866 -1.4422 -1.4422 -1.3531 -1.3531 -1.3171 -1.3171 -0.0183 -0.0183 1.2740 1.2740 2.4034 2.4034 3.9404 3.9404 4.0250 4.0250 4.4812 4.4812 4.5351 4.5351 5.6486 5.6486 5.6761 5.6761 6.8452 6.8452 9.4668 9.4668 9.7711 9.7711 9.8227 9.8227 k = 0.0073 0.0176-0.0000 ( 3945 PWs) bands (ev): -6.7864 -6.7864 -4.0570 -4.0505 -3.9602 -3.9516 -2.3588 -2.3558 -2.2819 -2.2686 -2.1612 -2.1432 -2.0197 -2.0182 -1.6934 -1.6800 -1.6118 -1.6068 -1.5989 -1.5734 -1.4462 -1.4380 -1.3529 -1.3528 -1.3225 -1.3113 -0.0238 -0.0195 1.2744 1.2758 2.4032 2.4054 3.8806 3.9569 3.9952 4.0883 4.4672 4.4710 4.5356 4.5371 5.5973 5.6334 5.7063 5.7249 6.8574 6.8624 9.4624 9.4739 9.6438 9.6916 9.9090 9.9577 k = 0.0146 0.0352-0.0000 ( 3945 PWs) bands (ev): -6.7835 -6.7835 -4.1059 -4.1005 -3.9123 -3.9028 -2.3599 -2.3541 -2.2872 -2.2609 -2.1703 -2.1345 -2.0204 -2.0175 -1.6988 -1.6721 -1.6140 -1.6100 -1.6042 -1.5594 -1.4500 -1.4336 -1.3521 -1.3521 -1.3276 -1.3052 -0.0361 -0.0274 1.2771 1.2799 2.4048 2.4090 3.8163 3.8844 4.0447 4.1461 4.4299 4.4374 4.5386 4.5416 5.5525 5.5968 5.7696 5.7793 6.8984 6.9082 9.4382 9.4872 9.5503 9.5660 10.0521 10.0943 k = 0.0219 0.0528-0.0000 ( 3953 PWs) bands (ev): -6.7786 -6.7786 -4.1550 -4.1506 -3.8650 -3.8547 -2.3609 -2.3522 -2.2913 -2.2526 -2.1795 -2.1261 -2.0209 -2.0169 -1.7035 -1.6635 -1.6198 -1.6161 -1.6014 -1.5451 -1.4534 -1.4290 -1.3510 -1.3506 -1.3322 -1.2988 -0.0549 -0.0418 1.2821 1.2863 2.4080 2.4143 3.7479 3.8085 4.0888 4.1981 4.3721 4.3827 4.5442 4.5484 5.5143 5.5662 5.8379 5.8389 6.9658 6.9798 9.3528 9.4473 9.5077 9.5335 10.1976 10.2293 k = 0.0292 0.0704-0.0000 ( 3937 PWs) bands (ev): -6.7718 -6.7718 -4.2042 -4.2009 -3.8184 -3.8074 -2.3616 -2.3504 -2.2940 -2.2438 -2.1885 -2.1182 -2.0213 -2.0166 -1.7073 -1.6542 -1.6280 -1.6179 -1.5985 -1.5310 -1.4565 -1.4242 -1.3496 -1.3482 -1.3364 -1.2922 -0.0800 -0.0626 1.2893 1.2949 2.4128 2.4214 3.6762 3.7298 4.1277 4.2441 4.2969 4.3103 4.5522 4.5575 5.4825 5.5415 5.9028 5.9101 7.0561 7.0739 9.2479 9.3369 9.5354 9.5522 10.3425 10.3574 k = 0.0366 0.0880-0.0000 ( 3929 PWs) bands (ev): -6.7631 -6.7631 -4.2534 -4.2513 -3.7724 -3.7609 -2.3621 -2.3486 -2.2951 -2.2346 -2.1975 -2.1108 -2.0214 -2.0165 -1.7106 -1.6444 -1.6346 -1.6195 -1.5955 -1.5177 -1.4588 -1.4192 -1.3478 -1.3446 -1.3401 -1.2853 -0.1113 -0.0895 1.2987 1.3057 2.4193 2.4301 3.6019 3.6492 4.1614 4.2081 4.2231 4.2845 4.5627 4.5685 5.4569 5.5224 5.9698 5.9847 7.1658 7.1867 9.1477 9.2361 9.5701 9.5834 10.4704 10.4818 k = 0.0439 0.1056-0.0000 ( 3949 PWs) bands (ev): -6.7525 -6.7525 -4.3027 -4.3016 -3.7273 -3.7156 -2.3624 -2.3470 -2.2943 -2.2250 -2.2061 -2.1041 -2.0210 -2.0166 -1.7132 -1.6395 -1.6341 -1.6209 -1.5924 -1.5062 -1.4599 -1.4139 -1.3457 -1.3432 -1.3395 -1.2782 -0.1485 -0.1222 1.3102 1.3187 2.4272 2.4403 3.5259 3.5675 4.1088 4.1258 4.1902 4.3184 4.5755 4.5815 5.4371 5.5084 6.0386 6.0601 7.2913 7.3151 9.0573 9.1462 9.6115 9.6230 10.5571 10.6070 k = 0.0512 0.1232-0.0000 ( 3949 PWs) bands (ev): -6.7400 -6.7400 -4.3518 -4.3518 -3.6831 -3.6715 -2.3625 -2.3456 -2.2916 -2.2152 -2.2145 -2.0981 -2.0203 -2.0171 -1.7154 -1.6426 -1.6236 -1.6219 -1.5890 -1.4979 -1.4590 -1.4085 -1.3457 -1.3431 -1.3327 -1.2709 -0.1911 -0.1603 1.3239 1.3337 2.4367 2.4522 3.4489 3.4856 4.0021 4.0206 4.2143 4.3465 4.5905 4.5963 5.4226 5.4993 6.1075 6.1344 7.4298 7.4560 8.9793 9.0687 9.6590 9.6693 10.6101 10.7052 k = 0.0585 0.1408-0.0000 ( 3949 PWs) bands (ev): -6.7256 -6.7256 -4.4019 -4.4009 -3.6399 -3.6287 -2.3625 -2.3443 -2.2868 -2.2225 -2.2051 -2.0929 -2.0189 -2.0179 -1.7173 -1.6440 -1.6226 -1.6131 -1.5854 -1.4936 -1.4555 -1.4028 -1.3474 -1.3401 -1.3239 -1.2635 -0.2387 -0.2034 1.3397 1.3509 2.4473 2.4654 3.3717 3.4040 3.8902 3.9101 4.2338 4.3688 4.6078 4.6128 5.4130 5.4945 6.1748 6.2057 7.5786 7.6070 8.9156 9.0050 9.7118 9.7213 10.6312 10.7644 k = 0.0658 0.1584-0.0000 ( 3941 PWs) bands (ev): -6.7094 -6.7093 -4.4518 -4.4499 -3.5979 -3.5875 -2.3624 -2.3430 -2.2800 -2.2300 -2.1949 -2.0886 -2.0191 -2.0170 -1.7192 -1.6435 -1.6229 -1.6030 -1.5812 -1.4928 -1.4504 -1.3968 -1.3482 -1.3365 -1.3129 -1.2561 -0.2911 -0.2510 1.3576 1.3702 2.4591 2.4798 3.2951 3.3237 3.7752 3.7965 4.2489 4.3855 4.6271 4.6309 5.4078 5.4938 6.2385 6.2719 7.7359 7.7663 8.8682 8.9565 9.7690 9.7777 10.6291 10.7855 k = 0.0731 0.1760-0.0000 ( 3953 PWs) bands (ev): -6.6913 -6.6913 -4.5015 -4.4986 -3.5571 -3.5479 -2.3622 -2.3414 -2.2713 -2.2370 -2.1846 -2.0852 -2.0207 -2.0144 -1.7211 -1.6414 -1.6229 -1.5939 -1.5759 -1.4940 -1.4451 -1.3907 -1.3481 -1.3322 -1.2999 -1.2488 -0.3476 -0.3027 1.3776 1.3916 2.4716 2.4952 3.2198 3.2451 3.6588 3.6815 4.2595 4.3968 4.6483 4.6506 5.4068 5.4967 6.2969 6.3310 7.8999 7.9322 8.8385 8.9246 9.8295 9.8375 10.6118 10.7796 k = 0.0804 0.1936-0.0000 ( 3953 PWs) bands (ev): -6.6715 -6.6714 -4.5508 -4.5472 -3.5176 -3.5101 -2.3619 -2.3395 -2.2608 -2.2435 -2.1742 -2.0828 -2.0226 -2.0113 -1.7233 -1.6376 -1.6226 -1.5867 -1.5689 -1.4963 -1.4405 -1.3846 -1.3468 -1.3269 -1.2851 -1.2417 -0.4079 -0.3580 1.3997 1.4151 2.4844 2.5112 3.1463 3.1690 3.5426 3.5668 4.2657 4.4026 4.6715 4.6720 5.4094 5.5029 6.3485 6.3813 8.0691 8.1034 8.8279 8.9101 9.8917 9.8989 10.5848 10.7574 k = 0.0877 0.2112-0.0000 ( 3961 PWs) bands (ev): -6.6498 -6.6497 -4.5999 -4.5954 -3.4796 -3.4743 -2.3616 -2.3372 -2.2493 -2.2485 -2.1638 -2.0811 -2.0248 -2.0077 -1.7261 -1.6324 -1.6221 -1.5813 -1.5601 -1.4992 -1.4369 -1.3785 -1.3441 -1.3203 -1.2691 -1.2350 -0.4714 -0.4163 1.4239 1.4407 2.4968 2.5270 3.0754 3.0959 3.4280 3.4541 4.2673 4.4031 4.6950 4.6964 5.4153 5.5120 6.3922 6.4217 8.2426 8.2788 8.8372 8.9135 9.9537 9.9601 10.5513 10.7139 k = 0.0950 0.2288-0.0000 ( 3969 PWs) bands (ev): -6.6264 -6.6263 -4.6486 -4.6434 -3.4431 -3.4404 -2.3613 -2.3344 -2.2546 -2.2345 -2.1534 -2.0802 -2.0274 -2.0037 -1.7295 -1.6259 -1.6214 -1.5771 -1.5503 -1.5023 -1.4343 -1.3726 -1.3400 -1.3121 -1.2523 -1.2291 -0.5377 -0.4770 1.4503 1.4685 2.5076 2.5417 3.0075 3.0262 3.3169 3.3453 4.2643 4.3983 4.7198 4.7231 5.4241 5.5238 6.4273 6.4518 8.4190 8.4573 8.8662 8.9347 10.0127 10.0184 10.5136 10.6614 k = 0.1023 0.2464-0.0000 ( 3969 PWs) bands (ev): -6.6014 -6.6012 -4.6969 -4.6910 -3.4087 -3.4081 -2.3611 -2.3312 -2.2592 -2.2189 -2.1430 -2.0799 -2.0301 -1.9995 -1.7338 -1.6207 -1.6183 -1.5736 -1.5403 -1.5057 -1.4324 -1.3671 -1.3341 -1.3019 -1.2352 -1.2241 -0.6060 -0.5397 1.4789 1.4986 2.5151 2.5533 2.9432 2.9606 3.2117 3.2426 4.2566 4.3884 4.7463 4.7514 5.4356 5.5379 6.4538 6.4715 8.5975 8.6380 8.9142 8.9728 10.0651 10.0703 10.4728 10.6093 k = 0.1097 0.2640-0.0000 ( 3961 PWs) bands (ev): -6.5746 -6.5745 -4.7448 -4.7383 -3.3790 -3.3747 -2.3611 -2.3275 -2.2632 -2.2019 -2.1328 -2.0802 -2.0331 -1.9951 -1.7391 -1.6201 -1.6098 -1.5704 -1.5304 -1.5091 -1.4312 -1.3621 -1.3263 -1.2895 -1.2207 -1.2181 -0.6757 -0.6037 1.5098 1.5309 2.5164 2.5587 2.8830 2.8991 3.1162 3.1496 4.2441 4.3733 4.7745 4.7813 5.4493 5.5540 6.4721 6.4819 8.7770 8.8200 8.9793 9.0260 10.1060 10.1111 10.4302 10.5591 k = 0.1170 0.2816-0.0000 ( 3961 PWs) bands (ev): -6.5463 -6.5461 -4.7923 -4.7852 -3.3514 -3.3430 -2.3612 -2.3233 -2.2665 -2.1837 -2.1227 -2.0808 -2.0363 -1.9907 -1.7458 -1.6198 -1.6008 -1.5674 -1.5207 -1.5126 -1.4305 -1.3577 -1.3165 -1.2746 -1.2193 -1.2016 -0.7459 -0.6684 1.5429 1.5655 2.5073 2.5530 2.8272 2.8418 3.0363 3.0708 4.2268 4.3532 4.8045 4.8128 5.4650 5.5719 6.4831 6.4841 8.9558 9.0025 9.0591 9.0924 10.1290 10.1350 10.3865 10.5131 k = 0.1243 0.2992-0.0000 ( 3977 PWs) bands (ev): -6.5164 -6.5162 -4.8394 -4.8317 -3.3259 -3.3129 -2.3616 -2.3187 -2.2692 -2.1647 -2.1129 -2.0819 -2.0395 -1.9863 -1.7539 -1.6198 -1.5914 -1.5648 -1.5160 -1.5113 -1.4303 -1.3536 -1.3044 -1.2571 -1.2211 -1.1859 -0.8153 -0.7331 1.5784 1.6026 2.4829 2.5296 2.7762 2.7884 2.9795 3.0114 4.2048 4.3282 4.8362 4.8458 5.4825 5.5913 6.4797 6.4879 9.1264 9.1503 9.1749 9.1843 10.1269 10.1353 10.3423 10.4736 k = 0.1316 0.3168-0.0000 ( 3953 PWs) bands (ev): -6.4849 -6.4847 -4.8859 -4.8778 -3.3022 -3.2844 -2.3624 -2.3138 -2.2712 -2.1452 -2.1032 -2.0832 -2.0427 -1.9821 -1.7638 -1.6202 -1.5819 -1.5624 -1.5195 -1.5023 -1.4303 -1.3501 -1.2900 -1.2369 -1.2274 -1.1714 -0.8822 -0.7970 1.6163 1.6420 2.4399 2.4845 2.7305 2.7392 2.9500 2.9750 4.1782 4.2985 4.8696 4.8802 5.5014 5.6119 6.4700 6.4875 9.2348 9.2493 9.3220 9.3643 10.0951 10.1074 10.2983 10.4442 k = 0.1389 0.3344-0.0000 ( 3945 PWs) bands (ev): -6.4521 -6.4518 -4.9320 -4.9234 -3.2805 -3.2575 -2.3636 -2.3086 -2.2727 -2.1258 -2.0939 -2.0848 -2.0460 -1.9781 -1.7755 -1.6210 -1.5726 -1.5604 -1.5229 -1.4936 -1.4305 -1.3468 -1.2733 -1.2406 -1.2139 -1.1582 -0.9439 -0.8593 1.6567 1.6839 2.3793 2.4194 2.6902 2.6959 2.9449 2.9608 4.1472 4.2644 4.9047 4.9161 5.5214 5.6335 6.4565 6.4832 9.3144 9.3512 9.4935 9.5411 10.0338 10.0508 10.2552 10.4121 k = 0.1462 0.3520-0.0000 ( 3953 PWs) bands (ev): -6.4178 -6.4175 -4.9775 -4.9686 -3.2605 -3.2321 -2.3655 -2.3031 -2.2737 -2.1075 -2.0866 -2.0849 -2.0492 -1.9743 -1.7890 -1.6222 -1.5636 -1.5590 -1.5262 -1.4854 -1.4310 -1.3438 -1.2636 -1.2543 -1.1883 -1.1466 -0.9972 -0.9192 1.6996 1.7284 2.3057 2.3409 2.6557 2.6593 2.9574 2.9647 4.1121 4.2263 4.9414 4.9534 5.5424 5.6558 6.4402 6.4756 9.3850 9.4502 9.6618 9.7123 9.9480 9.9695 10.2139 10.3669 k = 0.1535 0.3696-0.0000 ( 3949 PWs) bands (ev): -6.3822 -6.3818 -5.0225 -5.0133 -3.2420 -3.2081 -2.3682 -2.2974 -2.2741 -2.0913 -2.0887 -2.0764 -2.0523 -1.9708 -1.8039 -1.6236 -1.5585 -1.5551 -1.5295 -1.4776 -1.4316 -1.3411 -1.2985 -1.2331 -1.1599 -1.1368 -1.0392 -0.9758 1.7451 1.7755 2.2240 2.2552 2.6272 2.6295 2.9815 2.9817 4.0732 4.1845 4.9797 4.9920 5.5641 5.6786 6.4220 6.4655 9.4428 9.5389 9.8225 9.8443 9.8700 9.8736 10.1769 10.3231 k = 0.1608 0.3872-0.0000 ( 3941 PWs) bands (ev): -6.3453 -6.3449 -5.0670 -5.0574 -3.2249 -3.1856 -2.3719 -2.2915 -2.2741 -2.0909 -2.0790 -2.0683 -2.0552 -1.9676 -1.8194 -1.6252 -1.5596 -1.5471 -1.5326 -1.4704 -1.4323 -1.3445 -1.3385 -1.2103 -1.1291 -1.1290 -1.0696 -1.0278 1.7932 1.8252 2.1383 2.1664 2.6049 2.6063 3.0076 3.0140 4.0309 4.1395 5.0196 5.0320 5.5862 5.7016 6.4023 6.4532 9.4845 9.6078 9.7281 9.7605 9.9704 10.0089 10.1558 10.2807 k = 0.1681 0.4048-0.0000 ( 3949 PWs) bands (ev): -6.3072 -6.3068 -5.1109 -5.1011 -3.2091 -3.1642 -2.3768 -2.2856 -2.2736 -2.0933 -2.0734 -2.0607 -2.0579 -1.9647 -1.8333 -1.6268 -1.5640 -1.5398 -1.5355 -1.4640 -1.4331 -1.3962 -1.3361 -1.1876 -1.1231 -1.0959 -1.0913 -1.0730 1.8440 1.8777 2.0513 2.0771 2.5889 2.5898 3.0405 3.0521 3.9857 4.0918 5.0610 5.0733 5.6084 5.7245 6.3816 6.4392 9.5100 9.6033 9.6084 9.6886 10.0546 10.0960 10.2045 10.2401 k = 0.1755 0.4224-0.0000 ( 3953 PWs) bands (ev): -6.2680 -6.2675 -5.1542 -5.1442 -3.1944 -3.1441 -2.3834 -2.2798 -2.2727 -2.0959 -2.0774 -2.0605 -2.0537 -1.9623 -1.8431 -1.6284 -1.5762 -1.5382 -1.5331 -1.4635 -1.4403 -1.4339 -1.3339 -1.1726 -1.1194 -1.1078 -1.1035 -1.0605 1.8975 1.9328 1.9644 1.9888 2.5793 2.5799 3.0785 3.0947 3.9381 4.0420 5.1039 5.1159 5.6306 5.7471 6.3599 6.4233 9.4726 9.4929 9.5221 9.7047 10.0338 10.1813 10.2015 10.2764 k = 0.1828 0.4400-0.0000 ( 3933 PWs) bands (ev): -6.2278 -6.2272 -5.1969 -5.1868 -3.1805 -3.1250 -2.3920 -2.2744 -2.2715 -2.0986 -2.0934 -2.0626 -2.0474 -1.9602 -1.8464 -1.6299 -1.6044 -1.5407 -1.5270 -1.4882 -1.4456 -1.4348 -1.3318 -1.1845 -1.1216 -1.1178 -1.1000 -1.0233 1.8790 1.9023 1.9537 1.9908 2.5762 2.5766 3.1207 3.1410 3.8885 3.9905 5.1483 5.1598 5.6525 5.7691 6.3374 6.4056 9.3375 9.3609 9.5249 9.7157 10.0043 10.1654 10.2079 10.2875 k = 0.1901 0.4576-0.0000 ( 3917 PWs) bands (ev): -6.1866 -6.1859 -5.2390 -5.2287 -3.1674 -3.1068 -2.4032 -2.2700 -2.2699 -2.1212 -2.1015 -2.0645 -2.0420 -1.9586 -1.8428 -1.6511 -1.6313 -1.5429 -1.5215 -1.5054 -1.4404 -1.4357 -1.3298 -1.2118 -1.1343 -1.1182 -1.0743 -0.9845 1.7957 1.8183 2.0127 2.0515 2.5796 2.5799 3.1663 3.1905 3.8375 3.9381 5.1941 5.2048 5.6740 5.7904 6.3138 6.3859 9.1993 9.2241 9.5227 9.7171 9.9749 10.1320 10.1838 10.2470 k = 0.1974 0.4752-0.0000 ( 3917 PWs) bands (ev): -6.1446 -6.1438 -5.2805 -5.2701 -3.1549 -3.0894 -2.4177 -2.2682 -2.2682 -2.1573 -2.1045 -2.0659 -2.0375 -1.9575 -1.8339 -1.7067 -1.6325 -1.5448 -1.5165 -1.5127 -1.4366 -1.4346 -1.3280 -1.2392 -1.1468 -1.1207 -1.0420 -0.9445 1.7151 1.7372 2.0745 2.1151 2.5894 2.5898 3.2149 3.2430 3.7857 3.8852 5.2413 5.2510 5.6948 5.8106 6.2892 6.3642 9.0587 9.0842 9.5185 9.7132 9.9473 10.1013 10.1322 10.1845 k = 0.2047 0.4928-0.0000 ( 3937 PWs) bands (ev): -6.1018 -6.1009 -5.3214 -5.3109 -3.1429 -3.0727 -2.4361 -2.2750 -2.2661 -2.1934 -2.1077 -2.0670 -2.0343 -1.9568 -1.8214 -1.7631 -1.6335 -1.5463 -1.5159 -1.5121 -1.4376 -1.4288 -1.3262 -1.2637 -1.1597 -1.1252 -1.0070 -0.9035 1.6375 1.6593 2.1390 2.1814 2.6056 2.6062 3.2661 3.2980 3.7336 3.8326 5.2897 5.2981 5.7148 5.8296 6.2633 6.3402 8.9163 8.9423 9.5151 9.7076 9.9221 10.0684 10.0738 10.1138 k = 0.2120 0.5103-0.0000 ( 3937 PWs) bands (ev): -6.0583 -6.0573 -5.3615 -5.3511 -3.1312 -3.0566 -2.4594 -2.3040 -2.2638 -2.2138 -2.1110 -2.0675 -2.0328 -1.9567 -1.8162 -1.8070 -1.6343 -1.5473 -1.5172 -1.5083 -1.4385 -1.4230 -1.3246 -1.2850 -1.1730 -1.1315 -0.9703 -0.8619 1.5633 1.5849 2.2064 2.2506 2.6280 2.6289 3.3193 3.3556 3.6818 3.7810 5.3393 5.3461 5.7339 5.8472 6.2360 6.3138 8.7725 8.7988 9.5139 9.7030 9.8992 9.9993 10.0408 10.0493 k = 0.2193 0.5279-0.0000 ( 3949 PWs) bands (ev): -6.0142 -6.0131 -5.4010 -5.3906 -3.1198 -3.0410 -2.4884 -2.3548 -2.2613 -2.2173 -2.1144 -2.0676 -2.0336 -1.9571 -1.8631 -1.7917 -1.6349 -1.5479 -1.5179 -1.5048 -1.4394 -1.4174 -1.3231 -1.3033 -1.1870 -1.1395 -0.9325 -0.8200 1.4926 1.5141 2.2765 2.3226 2.6565 2.6578 3.3738 3.4155 3.6306 3.7314 5.3900 5.3947 5.7520 5.8632 6.2074 6.2851 8.6276 8.6541 9.5160 9.7009 9.8769 9.9283 9.9692 10.0282 k = 0.2266 0.5455-0.0000 ( 3961 PWs) bands (ev): -5.9697 -5.9684 -5.4399 -5.4294 -3.1085 -3.0258 -2.5236 -2.4159 -2.2586 -2.2142 -2.1180 -2.0671 -2.0376 -1.9580 -1.9018 -1.7761 -1.6354 -1.5479 -1.5182 -1.5018 -1.4403 -1.4119 -1.3217 -1.3188 -1.2015 -1.1490 -0.8942 -0.7781 1.4257 1.4471 2.3494 2.3975 2.6910 2.6926 3.4284 3.4777 3.5807 3.6855 5.4416 5.4437 5.7693 5.8774 6.1773 6.2540 8.4819 8.5084 9.5216 9.7023 9.8472 9.8573 9.9083 10.0103 k = 0.2339 0.5631-0.0000 ( 3933 PWs) bands (ev): -5.9248 -5.9234 -5.4779 -5.4676 -3.0973 -3.0109 -2.5652 -2.4818 -2.2558 -2.2089 -2.1217 -2.0659 -2.0457 -1.9596 -1.9306 -1.7607 -1.6357 -1.5474 -1.5185 -1.4992 -1.4411 -1.4066 -1.3321 -1.3204 -1.2164 -1.1598 -0.8556 -0.7367 1.3628 1.3840 2.4250 2.4751 2.7312 2.7333 3.4784 3.5325 3.5420 3.6482 5.4926 5.4939 5.7858 5.8897 6.1459 6.2206 8.3357 8.3622 9.5303 9.7078 9.7882 9.7928 9.8759 9.9956 k = 0.2412 0.5807-0.0000 ( 3933 PWs) bands (ev): -5.8797 -5.8781 -5.5153 -5.5050 -3.0861 -2.9963 -2.6131 -2.5506 -2.2528 -2.2026 -2.1255 -2.0642 -2.0576 -1.9617 -1.9499 -1.7456 -1.6358 -1.5462 -1.5189 -1.4970 -1.4419 -1.4014 -1.3435 -1.3192 -1.2316 -1.1718 -0.8173 -0.6961 1.3040 1.3249 2.5033 2.5554 2.7770 2.7795 3.4864 3.5083 3.6083 3.6352 5.5407 5.5465 5.8020 5.9001 6.1136 6.1852 8.1893 8.2157 9.5393 9.7173 9.7240 9.7242 9.8621 9.9841 k = 0.2486 0.5983-0.0000 ( 3933 PWs) bands (ev): -5.8344 -5.8325 -5.5520 -5.5418 -3.0748 -2.9818 -2.6664 -2.6212 -2.2496 -2.1958 -2.1294 -2.0716 -2.0618 -1.9645 -1.9618 -1.7311 -1.6356 -1.5444 -1.5196 -1.4951 -1.4426 -1.3964 -1.3533 -1.3182 -1.2468 -1.1847 -0.7796 -0.6566 1.2494 1.2700 2.5842 2.6385 2.8280 2.8310 3.4428 3.4993 3.6658 3.6766 5.5870 5.5989 5.8186 5.9084 6.0806 6.1478 8.0431 8.0693 9.5397 9.6524 9.6742 9.7307 9.8552 9.9755 k = 0.2559 0.6159-0.0000 ( 3945 PWs) bands (ev): -5.7890 -5.7870 -5.5878 -5.5778 -3.0635 -2.9674 -2.7244 -2.6928 -2.2462 -2.1887 -2.1334 -2.0855 -2.0588 -1.9694 -1.9679 -1.7174 -1.6351 -1.5420 -1.5205 -1.4935 -1.4431 -1.3918 -1.3617 -1.3172 -1.2618 -1.1983 -0.7429 -0.6185 1.1992 1.2193 2.6676 2.7241 2.8841 2.8876 3.4021 3.4702 3.7213 3.7467 5.6300 5.6501 5.8367 5.9147 6.0479 6.1090 7.8975 7.9234 9.5135 9.5809 9.6559 9.7476 9.8523 9.9697 k = 0.2632 0.6335-0.0000 ( 3949 PWs) bands (ev): -5.7437 -5.7415 -5.6229 -5.6130 -3.0521 -2.9530 -2.7859 -2.7650 -2.2427 -2.1815 -2.1376 -2.0981 -2.0550 -1.9747 -1.9718 -1.7047 -1.6339 -1.5389 -1.5217 -1.4921 -1.4435 -1.3875 -1.3690 -1.3163 -1.2762 -1.2124 -0.7075 -0.5822 1.1535 1.1729 2.7535 2.8123 2.9450 2.9489 3.3647 3.4375 3.7854 3.8186 5.6675 5.6986 5.8577 5.9190 6.0167 6.0690 7.7532 7.7785 9.4620 9.5101 9.6677 9.7671 9.8525 9.9662 k = 0.2705 0.6511-0.0000 ( 3941 PWs) bands (ev): -5.6986 -5.6962 -5.6572 -5.6473 -3.0406 -2.9387 -2.8501 -2.8371 -2.2389 -2.1741 -2.1417 -2.1089 -2.0506 -1.9792 -1.9764 -1.6936 -1.6317 -1.5354 -1.5233 -1.4910 -1.4435 -1.3840 -1.3753 -1.3156 -1.2895 -1.2268 -0.6739 -0.5479 1.1124 1.1310 2.8417 2.9030 3.0104 3.0147 3.3309 3.4059 3.8536 3.8922 5.6976 5.7415 5.8831 5.9213 5.9896 6.0283 7.6109 7.6356 9.4010 9.4404 9.6924 9.7881 9.8552 9.9648 k = 0.2778 0.6687-0.0000 ( 3941 PWs) bands (ev): -5.6907 -5.6815 -5.6537 -5.6506 -3.0297 -2.9243 -2.9160 -2.9084 -2.2350 -2.1667 -2.1460 -2.1181 -2.0455 -1.9834 -1.9815 -1.6845 -1.6280 -1.5314 -1.5252 -1.4901 -1.4432 -1.3815 -1.3809 -1.3150 -1.3013 -1.2413 -0.6423 -0.5160 1.0759 1.0935 2.9319 2.9961 3.0801 3.0847 3.3011 3.3769 3.9243 3.9674 5.7191 5.7731 5.9127 5.9217 5.9714 5.9874 7.4721 7.4958 9.3376 9.3719 9.7217 9.8093 9.8598 9.9650 k = 0.2851 0.6863-0.0000 ( 3941 PWs) bands (ev): -5.7234 -5.7141 -5.6092 -5.6060 -3.0228 -2.9831 -2.9750 -2.9100 -2.2309 -2.1593 -2.1504 -2.1257 -2.0397 -1.9878 -1.9871 -1.6779 -1.6223 -1.5275 -1.5272 -1.4894 -1.4424 -1.3858 -1.3807 -1.3144 -1.3106 -1.2558 -0.6130 -0.4866 1.0443 1.0606 3.0237 3.0915 3.1538 3.1587 3.2757 3.3513 3.9969 4.0440 5.7326 5.7858 5.9204 5.9443 5.9469 5.9687 7.3384 7.3609 9.2741 9.3047 9.7517 9.8288 9.8658 9.9663 k = 0.2924 0.7039-0.0000 ( 3949 PWs) bands (ev): -5.7552 -5.7461 -5.5652 -5.5616 -3.0605 -3.0507 -2.9962 -2.8956 -2.2265 -2.1548 -2.1518 -2.1321 -2.0332 -1.9932 -1.9927 -1.6738 -1.6144 -1.5302 -1.5230 -1.4889 -1.4409 -1.3901 -1.3822 -1.3169 -1.3140 -1.2699 -0.5862 -0.4601 1.0176 1.0324 3.1155 3.1889 3.2312 3.2363 3.2564 3.3293 4.0712 4.1219 5.7395 5.7779 5.9071 5.9174 5.9740 5.9810 7.2129 7.2334 9.2111 9.2389 9.7792 9.8445 9.8725 9.9681 k = 0.2997 0.7215-0.0000 ( 3953 PWs) bands (ev): -5.7861 -5.7773 -5.5217 -5.5178 -3.1280 -3.1184 -2.9866 -2.8811 -2.2219 -2.1592 -2.1443 -2.1375 -2.0262 -1.9998 -1.9980 -1.6719 -1.6049 -1.5332 -1.5190 -1.4885 -1.4385 -1.3940 -1.3862 -1.3197 -1.3136 -1.2837 -0.5622 -0.4366 0.9959 1.0090 3.1937 3.2566 3.2884 3.3111 3.3122 3.3172 4.1467 4.2011 5.7412 5.7568 5.8688 5.9130 5.9964 5.9975 7.0995 7.1175 9.1492 9.1744 9.8013 9.8539 9.8793 9.9700 k = 0.3070 0.7391-0.0000 ( 3961 PWs) bands (ev): -5.8161 -5.8075 -5.4788 -5.4745 -3.1971 -3.1860 -2.9743 -2.8666 -2.2171 -2.1637 -2.1421 -2.1368 -2.0187 -2.0067 -2.0040 -1.6717 -1.5941 -1.5365 -1.5156 -1.4882 -1.4351 -1.3974 -1.3922 -1.3195 -1.3134 -1.2967 -0.5412 -0.4163 0.9793 0.9905 3.2074 3.2966 3.3272 3.3896 3.3963 3.4011 4.2233 4.2814 5.7296 5.7386 5.8324 5.9075 6.0053 6.0060 7.0041 7.0186 9.0884 9.1113 9.8145 9.8541 9.8857 9.9438 k = 0.3144 0.7567-0.0000 ( 3953 PWs) bands (ev): -5.8452 -5.8369 -5.4367 -5.4319 -3.2656 -3.2530 -2.9612 -2.8521 -2.2119 -2.1683 -2.1461 -2.1294 -2.0139 -2.0107 -2.0105 -1.6726 -1.5827 -1.5401 -1.5130 -1.4879 -1.4307 -1.4005 -1.3992 -1.3171 -1.3132 -1.3088 -0.5231 -0.3991 0.9679 0.9770 3.2009 3.2859 3.4233 3.4833 3.4878 3.4925 4.3008 4.3626 5.7001 5.7316 5.7987 5.9009 5.9942 5.9966 6.9334 6.9438 9.0290 9.0496 9.8156 9.8401 9.8737 9.8909 k = 0.3217 0.7743-0.0000 ( 3945 PWs) bands (ev): -5.8734 -5.8653 -5.3952 -5.3901 -3.3332 -3.3194 -2.9477 -2.8376 -2.2064 -2.1728 -2.1496 -2.1220 -2.0213 -2.0177 -2.0022 -1.6744 -1.5709 -1.5438 -1.5113 -1.4877 -1.4254 -1.4065 -1.4033 -1.3197 -1.3135 -1.3131 -0.5082 -0.3852 0.9619 0.9686 3.1954 3.2786 3.5236 3.5729 3.5769 3.5967 4.3789 4.4445 5.6697 5.7192 5.7680 5.8936 5.9593 5.9626 6.8927 6.8989 8.9709 8.9893 9.7888 9.8017 9.8234 9.8278 k = 0.3290 0.7919-0.0000 ( 3937 PWs) bands (ev): -5.9006 -5.8928 -5.3546 -5.3490 -3.3997 -3.3848 -2.9340 -2.8232 -2.2006 -2.1774 -2.1528 -2.1146 -2.0289 -2.0254 -1.9934 -1.6768 -1.5589 -1.5478 -1.5107 -1.4875 -1.4197 -1.4137 -1.4058 -1.3289 -1.3132 -1.3088 -0.4964 -0.3746 0.9613 0.9655 3.1926 3.2745 3.6258 3.6647 3.6680 3.7020 4.4575 4.5271 5.6377 5.6974 5.7412 5.8859 5.9037 5.9041 6.8829 6.8858 8.9142 8.9303 9.7172 9.7455 9.7712 9.7884 k = 0.3363 0.8095-0.0000 ( 3936 PWs) bands (ev): -5.9269 -5.9194 -5.3148 -5.3087 -3.4649 -3.4493 -2.9199 -2.8088 -2.1944 -2.1820 -2.1557 -2.1072 -2.0366 -2.0335 -1.9844 -1.6799 -1.5517 -1.5468 -1.5110 -1.4873 -1.4205 -1.4143 -1.4080 -1.3358 -1.3132 -1.3037 -0.4876 -0.3672 0.9661 0.9677 3.1927 3.2733 3.7291 3.7585 3.7608 3.8081 4.5364 4.6101 5.6006 5.6561 5.7186 5.8276 5.8434 5.8780 6.9000 6.9008 8.8590 8.8727 9.6441 9.6678 9.7238 9.7368 k = 0.3363 0.8095-0.0000 ( 3936 PWs) bands (ev): -5.9269 -5.9194 -5.3148 -5.3087 -3.4649 -3.4493 -2.9199 -2.8088 -2.1944 -2.1820 -2.1557 -2.1072 -2.0366 -2.0335 -1.9844 -1.6799 -1.5517 -1.5468 -1.5110 -1.4873 -1.4205 -1.4143 -1.4080 -1.3358 -1.3132 -1.3037 -0.4876 -0.3672 0.9661 0.9677 3.1927 3.2733 3.7291 3.7585 3.7608 3.8081 4.5364 4.6101 5.6006 5.6561 5.7186 5.8276 5.8434 5.8780 6.9000 6.9008 8.8590 8.8727 9.6441 9.6678 9.7238 9.7368 k = 0.3335 0.8028 0.0175 ( 3936 PWs) bands (ev): -5.9177 -5.9101 -5.3294 -5.3235 -3.4401 -3.4245 -2.9246 -2.8137 -2.1970 -2.1803 -2.1545 -2.1098 -2.0358 -2.0282 -1.9875 -1.6786 -1.5521 -1.5497 -1.5107 -1.4872 -1.4183 -1.4161 -1.4070 -1.3350 -1.3119 -1.3053 -0.4912 -0.3704 0.9647 0.9674 3.1888 3.2687 3.6594 3.6932 3.7556 3.8011 4.5106 4.5827 5.6076 5.6683 5.7187 5.8527 5.8604 5.8834 6.9032 6.9053 8.8756 8.8915 9.6396 9.6639 9.7646 9.7858 k = 0.3307 0.7961 0.0349 ( 3939 PWs) bands (ev): -5.9096 -5.9019 -5.3435 -5.3377 -3.4148 -3.3990 -2.9280 -2.8176 -2.1999 -2.1784 -2.1532 -2.1119 -2.0361 -2.0219 -1.9898 -1.6775 -1.5573 -1.5479 -1.5103 -1.4866 -1.4188 -1.4160 -1.4053 -1.3364 -1.3093 -1.3047 -0.4965 -0.3757 0.9661 0.9700 3.1773 3.2536 3.5856 3.6135 3.7643 3.8109 4.4937 4.5640 5.5975 5.6509 5.7180 5.8396 5.8903 5.8950 6.9347 6.9388 8.8841 8.9038 9.6132 9.6365 9.8090 9.8264 k = 0.3279 0.7894 0.0524 ( 3941 PWs) bands (ev): -5.9025 -5.8949 -5.3569 -5.3512 -3.3894 -3.3728 -2.9299 -2.8205 -2.2029 -2.1765 -2.1516 -2.1134 -2.0367 -2.0156 -1.9912 -1.6764 -1.5630 -1.5458 -1.5099 -1.4858 -1.4209 -1.4148 -1.4028 -1.3391 -1.3093 -1.2993 -0.5036 -0.3831 0.9705 0.9755 3.1567 3.2249 3.5227 3.5406 3.7728 3.8205 4.4858 4.5542 5.5684 5.6025 5.7232 5.8193 5.9043 5.9146 6.9912 6.9973 8.8852 8.9090 9.5873 9.6105 9.8329 9.8472 k = 0.3252 0.7827 0.0699 ( 3945 PWs) bands (ev): -5.8964 -5.8888 -5.3697 -5.3641 -3.3639 -3.3462 -2.9305 -2.8223 -2.2060 -2.1747 -2.1498 -2.1145 -2.0377 -2.0096 -1.9914 -1.6755 -1.5687 -1.5435 -1.5094 -1.4847 -1.4232 -1.4140 -1.3997 -1.3424 -1.3098 -1.2917 -0.5127 -0.3928 0.9777 0.9835 3.1248 3.1808 3.4742 3.4806 3.7792 3.8274 4.4869 4.5531 5.5165 5.5349 5.7280 5.8030 5.9110 5.9320 7.0665 7.0747 8.8802 8.9080 9.5663 9.5898 9.8439 9.8581 k = 0.3224 0.7760 0.0873 ( 3948 PWs) bands (ev): -5.8912 -5.8837 -5.3819 -5.3765 -3.3387 -3.3194 -2.9297 -2.8232 -2.2091 -2.1728 -2.1478 -2.1151 -2.0391 -2.0039 -1.9901 -1.6748 -1.5744 -1.5410 -1.5087 -1.4835 -1.4254 -1.4135 -1.3962 -1.3460 -1.3101 -1.2833 -0.5239 -0.4048 0.9875 0.9941 3.0807 3.1227 3.4312 3.4457 3.7823 3.8302 4.4965 4.5601 5.4417 5.4570 5.7314 5.7941 5.9151 5.9439 7.1545 7.1647 8.8709 8.9020 9.5511 9.5750 9.8486 9.8619 k = 0.3196 0.7693 0.1048 ( 3952 PWs) bands (ev): -5.8867 -5.8792 -5.3937 -5.3883 -3.3137 -3.2928 -2.9276 -2.8232 -2.2119 -2.1711 -2.1455 -2.1153 -2.0409 -1.9987 -1.9873 -1.6744 -1.5797 -1.5383 -1.5080 -1.4821 -1.4276 -1.4130 -1.3924 -1.3496 -1.3099 -1.2742 -0.5372 -0.4192 0.9998 1.0069 3.0258 3.0558 3.3993 3.4267 3.7814 3.8285 4.5134 4.5742 5.3517 5.3713 5.7342 5.7905 5.9170 5.9510 7.2499 7.2620 8.8594 8.8931 9.5415 9.5652 9.8486 9.8600 k = 0.3168 0.7626 0.1223 ( 3957 PWs) bands (ev): -5.8828 -5.8755 -5.4051 -5.3998 -3.2893 -3.2666 -2.9244 -2.8223 -2.2144 -2.1694 -2.1430 -2.1150 -2.0432 -1.9939 -1.9830 -1.6745 -1.5846 -1.5355 -1.5071 -1.4806 -1.4297 -1.4126 -1.3885 -1.3533 -1.3092 -1.2647 -0.5526 -0.4358 1.0146 1.0220 2.9637 2.9851 3.3791 3.4164 3.7764 3.8225 4.5361 4.5939 5.2547 5.2789 5.7372 5.7894 5.9171 5.9540 7.3486 7.3627 8.8478 8.8830 9.5367 9.5596 9.8441 9.8529 k = 0.3140 0.7559 0.1397 ( 3947 PWs) bands (ev): -5.8793 -5.8721 -5.4162 -5.4108 -3.2655 -3.2410 -2.9200 -2.8206 -2.2164 -2.1678 -2.1403 -2.1143 -2.0458 -1.9894 -1.9775 -1.6751 -1.5888 -1.5325 -1.5061 -1.4790 -1.4317 -1.4123 -1.3845 -1.3568 -1.3080 -1.2548 -0.5702 -0.4548 1.0317 1.0392 2.8984 2.9141 3.3675 3.4117 3.7677 3.8127 4.5625 4.6174 5.1547 5.1830 5.7408 5.7892 5.9158 5.9535 7.4476 7.4637 8.8376 8.8736 9.5359 9.5576 9.8349 9.8413 k = 0.3112 0.7492 0.1572 ( 3947 PWs) bands (ev): -5.8761 -5.8691 -5.4270 -5.4216 -3.2424 -3.2163 -2.9147 -2.8182 -2.2179 -2.1662 -2.1374 -2.1132 -2.0487 -1.9849 -1.9713 -1.6765 -1.5921 -1.5293 -1.5050 -1.4773 -1.4336 -1.4119 -1.3808 -1.3602 -1.3061 -1.2446 -0.5899 -0.4761 1.0510 1.0584 2.8330 2.8451 3.3621 3.4110 3.7556 3.7996 4.5904 4.6426 5.0546 5.0868 5.7452 5.7887 5.9139 5.9497 7.5442 7.5623 8.8303 8.8660 9.5387 9.5585 9.8204 9.8261 k = 0.3085 0.7425 0.1747 ( 3947 PWs) bands (ev): -5.8731 -5.8663 -5.4375 -5.4322 -3.2201 -3.1927 -2.9086 -2.8152 -2.2186 -2.1648 -2.1345 -2.1117 -2.0517 -1.9804 -1.9646 -1.6787 -1.5943 -1.5260 -1.5037 -1.4756 -1.4355 -1.4116 -1.3774 -1.3631 -1.3034 -1.2341 -0.6116 -0.4997 1.0726 1.0798 2.7695 2.7792 3.3608 3.4129 3.7408 3.7840 4.6170 4.6668 4.9572 4.9932 5.7504 5.7876 5.9122 5.9434 7.6365 7.6566 8.8266 8.8610 9.5450 9.5627 9.8007 9.8085 k = 0.3057 0.7358 0.1921 ( 3945 PWs) bands (ev): -5.8702 -5.8635 -5.4480 -5.4426 -3.1988 -3.1703 -2.9019 -2.8117 -2.2187 -2.1634 -2.1317 -2.1097 -2.0548 -1.9758 -1.9573 -1.6819 -1.5954 -1.5226 -1.5023 -1.4740 -1.4372 -1.4114 -1.3749 -1.3653 -1.2999 -1.2234 -0.6352 -0.5253 1.0965 1.1033 2.7092 2.7171 3.3621 3.4164 3.7235 3.7663 4.6384 4.6853 4.8671 4.9066 5.7555 5.7863 5.9117 5.9353 7.7231 7.7449 8.8266 8.8587 9.5546 9.5706 9.7777 9.7892 k = 0.3029 0.7291 0.2096 ( 3948 PWs) bands (ev): -5.8671 -5.8606 -5.4583 -5.4529 -3.1783 -3.1493 -2.8948 -2.8078 -2.2181 -2.1620 -2.1290 -2.1072 -2.0580 -1.9712 -1.9498 -1.6861 -1.5953 -1.5190 -1.5009 -1.4723 -1.4389 -1.4114 -1.3744 -1.3656 -1.2954 -1.2126 -0.6606 -0.5529 1.1227 1.1291 2.6526 2.6594 3.3649 3.4205 3.7043 3.7471 4.6465 4.6848 4.7975 4.8352 5.7580 5.7873 5.9123 5.9269 7.8028 7.8259 8.8300 8.8587 9.5667 9.5830 9.7539 9.7697 k = 0.3001 0.7224 0.2270 ( 3944 PWs) bands (ev): -5.8638 -5.8575 -5.4686 -5.4632 -3.1588 -3.1298 -2.8877 -2.8037 -2.2167 -2.1606 -2.1266 -2.1042 -2.0612 -1.9668 -1.9419 -1.6912 -1.5939 -1.5154 -1.4993 -1.4707 -1.4405 -1.4116 -1.3756 -1.3643 -1.2900 -1.2018 -0.6876 -0.5822 1.1514 1.1572 2.6003 2.6062 3.3676 3.4238 3.6836 3.7268 4.6238 4.6446 4.7699 4.7965 5.7551 5.7931 5.9100 5.9240 7.8752 7.8990 8.8359 8.8603 9.5785 9.5991 9.7337 9.7544 k = 0.2973 0.7157 0.2445 ( 3944 PWs) bands (ev): -5.8602 -5.8540 -5.4789 -5.4735 -3.1403 -3.1117 -2.8806 -2.7995 -2.2145 -2.1593 -2.1245 -2.1008 -2.0643 -1.9624 -1.9338 -1.6972 -1.5915 -1.5117 -1.4976 -1.4691 -1.4420 -1.4122 -1.3773 -1.3626 -1.2836 -1.1909 -0.7159 -0.6131 1.1826 1.1879 2.5523 2.5574 3.3690 3.4249 3.6616 3.7057 4.5651 4.5892 4.7654 4.7913 5.7475 5.8020 5.9028 5.9303 7.9401 7.9640 8.8431 8.8628 9.5851 9.6110 9.7273 9.7505 k = 0.2945 0.7090 0.2620 ( 3945 PWs) bands (ev): -5.8562 -5.8502 -5.4892 -5.4839 -3.1226 -3.0949 -2.8740 -2.7953 -2.2117 -2.1579 -2.1227 -2.0970 -2.0673 -1.9582 -1.9257 -1.7041 -1.5882 -1.5079 -1.4958 -1.4676 -1.4434 -1.4133 -1.3790 -1.3611 -1.2762 -1.1801 -0.7453 -0.6452 1.2166 1.2213 2.5085 2.5129 3.3675 3.4222 3.6386 3.6839 4.5009 4.5320 4.7671 4.7950 5.7375 5.8102 5.8980 5.9411 7.9981 8.0214 8.8506 8.8655 9.5803 9.6062 9.7484 9.7667 k = 0.2918 0.7023 0.2794 ( 3945 PWs) bands (ev): -5.8516 -5.8458 -5.4997 -5.4944 -3.1059 -3.0794 -2.8679 -2.7915 -2.2081 -2.1565 -2.1212 -2.0932 -2.0702 -1.9541 -1.9175 -1.7116 -1.5839 -1.5041 -1.4940 -1.4662 -1.4448 -1.4148 -1.3804 -1.3599 -1.2680 -1.1695 -0.7754 -0.6781 1.2533 1.2576 2.4686 2.4725 3.3616 3.4143 3.6148 3.6616 4.4443 4.4798 4.7681 4.7971 5.7266 5.8137 5.8997 5.9545 8.0500 8.0722 8.8577 8.8683 9.5638 9.5866 9.7951 9.8053 k = 0.2890 0.6956 0.2969 ( 3947 PWs) bands (ev): -5.8465 -5.8408 -5.5103 -5.5050 -3.0899 -3.0650 -2.8627 -2.7880 -2.2040 -2.1551 -2.1199 -2.0896 -2.0729 -1.9502 -1.9095 -1.7198 -1.5790 -1.5002 -1.4921 -1.4649 -1.4461 -1.4168 -1.3816 -1.3591 -1.2590 -1.1592 -0.8059 -0.7114 1.2930 1.2970 2.4324 2.4359 3.3501 3.3999 3.5904 3.6387 4.3989 4.4371 4.7657 4.7951 5.7157 5.8109 5.9093 5.9697 8.0973 8.1179 8.8643 8.8712 9.5403 9.5610 9.8579 9.8624 k = 0.2862 0.6889 0.3144 ( 3946 PWs) bands (ev): -5.8407 -5.8351 -5.5211 -5.5158 -3.0748 -3.0515 -2.8585 -2.7852 -2.1994 -2.1535 -2.1187 -2.0867 -2.0750 -1.9464 -1.9016 -1.7285 -1.5733 -1.4963 -1.4902 -1.4637 -1.4473 -1.4192 -1.3826 -1.3588 -1.2492 -1.1492 -0.8364 -0.7446 1.3356 1.3394 2.3993 2.4026 3.3321 3.3788 3.5654 3.6149 4.3662 4.4056 4.7595 4.7886 5.7056 5.8038 5.9241 5.9856 8.1413 8.1600 8.8705 8.8752 9.5139 9.5336 9.9298 9.9355 k = 0.2834 0.6822 0.3318 ( 3948 PWs) bands (ev): -5.8342 -5.8287 -5.5321 -5.5268 -3.0605 -3.0388 -2.8554 -2.7830 -2.1944 -2.1519 -2.1176 -2.0854 -2.0758 -1.9427 -1.8941 -1.7377 -1.5671 -1.4925 -1.4883 -1.4626 -1.4484 -1.4219 -1.3836 -1.3589 -1.2389 -1.1398 -0.8665 -0.7773 1.3811 1.3848 2.3689 2.3721 3.3078 3.3514 3.5396 3.5898 4.3464 4.3860 4.7495 4.7778 5.6970 5.7953 5.9407 6.0009 8.1835 8.2004 8.8766 8.8810 9.4869 9.5062 10.0095 10.0191 k = 0.2806 0.6755 0.3493 ( 3946 PWs) bands (ev): -5.8269 -5.8216 -5.5433 -5.5380 -3.0470 -3.0266 -2.8535 -2.7818 -2.1890 -2.1501 -2.1167 -2.0861 -2.0752 -1.9390 -1.8869 -1.7474 -1.5604 -1.4887 -1.4863 -1.4617 -1.4494 -1.4249 -1.3848 -1.3595 -1.2282 -1.1310 -0.8959 -0.8088 1.4294 1.4332 2.3405 2.3439 3.2781 3.3191 3.5127 3.5633 4.3384 4.3776 4.7366 4.7633 5.6905 5.7873 5.9566 6.0146 8.2256 8.2408 8.8835 8.8893 9.4603 9.4799 10.0960 10.1091 k = 0.2778 0.6688 0.3668 ( 3940 PWs) bands (ev): -5.8189 -5.8136 -5.5548 -5.5495 -3.0343 -3.0147 -2.8530 -2.7815 -2.1834 -2.1482 -2.1159 -2.0881 -2.0741 -1.9355 -1.8801 -1.7573 -1.5533 -1.4855 -1.4839 -1.4610 -1.4502 -1.4279 -1.3863 -1.3607 -1.2170 -1.1231 -0.9240 -0.8387 1.4803 1.4843 2.3136 2.3172 3.2449 3.2838 3.4847 3.5353 4.3405 4.3790 4.7213 4.7459 5.6867 5.7809 5.9701 6.0256 8.2688 8.2828 8.8922 8.9001 9.4350 9.4552 10.1864 10.2030 k = 0.2751 0.6621 0.3842 ( 3942 PWs) bands (ev): -5.8100 -5.8048 -5.5667 -5.5614 -3.0224 -3.0030 -2.8538 -2.7824 -2.1777 -2.1461 -2.1151 -2.0905 -2.0734 -1.9320 -1.8737 -1.7674 -1.5458 -1.4833 -1.4806 -1.4606 -1.4508 -1.4311 -1.3880 -1.3625 -1.2056 -1.1161 -0.9507 -0.8662 1.5336 1.5378 2.2874 2.2915 3.2102 3.2478 3.4552 3.5058 4.3503 4.3885 4.7046 4.7263 5.6861 5.7772 5.9798 6.0330 8.3144 8.3278 8.9032 8.9135 9.4114 9.4325 10.2760 10.2975 k = 0.2723 0.6554 0.4017 ( 3940 PWs) bands (ev): -5.8004 -5.7952 -5.5789 -5.5735 -3.0111 -2.9913 -2.8560 -2.7843 -2.1719 -2.1438 -2.1144 -2.0930 -2.0736 -1.9285 -1.8678 -1.7774 -1.5380 -1.4816 -1.4770 -1.4605 -1.4512 -1.4342 -1.3902 -1.3650 -1.1940 -1.1103 -0.9757 -0.8908 1.5888 1.5931 2.2614 2.2658 3.1764 3.2132 3.4244 3.4752 4.3653 4.4040 4.6873 4.7052 5.6894 5.7768 5.9851 6.0362 8.3635 8.3767 8.9166 8.9294 9.3899 9.4122 10.3359 10.3810 k = 0.2695 0.6487 0.4192 ( 3932 PWs) bands (ev): -5.7898 -5.7847 -5.5915 -5.5861 -3.0004 -2.9797 -2.8596 -2.7874 -2.1662 -2.1412 -2.1138 -2.0955 -2.0750 -1.9252 -1.8623 -1.7873 -1.5300 -1.4800 -1.4737 -1.4608 -1.4512 -1.4373 -1.3927 -1.3681 -1.1823 -1.1057 -0.9987 -0.9120 1.6453 1.6496 2.2349 2.2396 3.1456 3.1821 3.3922 3.4434 4.3831 4.4233 4.6701 4.6834 5.6969 5.7803 5.9855 6.0348 8.4168 8.4302 8.9323 8.9474 9.3709 9.3944 10.2480 10.2771 k = 0.2667 0.6420 0.4366 ( 3934 PWs) bands (ev): -5.7785 -5.7734 -5.6045 -5.5991 -2.9900 -2.9682 -2.8647 -2.7915 -2.1606 -2.1384 -2.1132 -2.0979 -2.0774 -1.9219 -1.8573 -1.7969 -1.5218 -1.4787 -1.4707 -1.4613 -1.4510 -1.4402 -1.3956 -1.3717 -1.1706 -1.1027 -1.0198 -0.9295 1.7024 1.7067 2.2073 2.2122 3.1200 3.1565 3.3590 3.4109 4.4016 4.4447 4.6537 4.6618 5.7089 5.7880 5.9808 6.0288 8.4747 8.4885 8.9495 8.9666 9.3548 9.3795 10.0948 10.1126 k = 0.2639 0.6353 0.4541 ( 3931 PWs) bands (ev): -5.7663 -5.7612 -5.6180 -5.6125 -2.9797 -2.9571 -2.8711 -2.7965 -2.1555 -2.1351 -2.1127 -2.1001 -2.0810 -1.9189 -1.8526 -1.8058 -1.5136 -1.4775 -1.4685 -1.4615 -1.4508 -1.4430 -1.3988 -1.3755 -1.1590 -1.1010 -1.0387 -0.9430 1.7593 1.7633 2.1780 2.1831 3.1014 3.1381 3.3248 3.3777 4.4191 4.4667 4.6369 4.6428 5.7253 5.8001 5.9713 6.0185 8.5370 8.5514 8.9672 8.9854 9.3421 9.3677 9.9373 9.9501 k = 0.2611 0.6286 0.4716 ( 3929 PWs) bands (ev): -5.7532 -5.7482 -5.6320 -5.6265 -2.9693 -2.9465 -2.8790 -2.8023 -2.1510 -2.1313 -2.1124 -2.1020 -2.0856 -1.9162 -1.8484 -1.8139 -1.5054 -1.4766 -1.4678 -1.4608 -1.4506 -1.4456 -1.4024 -1.3792 -1.1476 -1.1005 -1.0557 -0.9528 1.8149 1.8187 2.1468 2.1519 3.0912 3.1280 3.2900 3.3442 4.4340 4.4878 4.6174 4.6296 5.7459 5.8164 5.9574 6.0042 8.6035 8.6184 8.9831 9.0007 9.3336 9.3596 9.7863 9.7955 k = 0.2584 0.6219 0.4890 ( 3926 PWs) bands (ev): -5.7394 -5.7343 -5.6464 -5.6410 -2.9588 -2.9368 -2.8883 -2.8082 -2.1474 -2.1269 -2.1122 -2.1035 -2.0910 -1.9140 -1.8446 -1.8210 -1.4973 -1.4760 -1.4686 -1.4593 -1.4507 -1.4479 -1.4061 -1.3823 -1.1364 -1.1010 -1.0708 -0.9594 1.8682 1.8717 2.1136 2.1186 3.0905 3.1270 3.2548 3.3109 4.4454 4.5073 4.5982 4.6203 5.7698 5.8361 5.9399 5.9868 8.6732 8.6887 8.9930 9.0071 9.3311 9.3560 9.6494 9.6550 k = 0.2556 0.6152 0.5065 ( 3922 PWs) bands (ev): -5.7248 -5.7196 -5.6614 -5.6560 -2.9478 -2.9286 -2.8988 -2.8138 -2.1447 -2.1220 -2.1120 -2.1045 -2.0970 -1.9123 -1.8410 -1.8270 -1.4897 -1.4760 -1.4700 -1.4577 -1.4514 -1.4497 -1.4094 -1.3846 -1.1255 -1.1019 -1.0840 -0.9632 1.9182 1.9214 2.0785 2.0833 3.0998 3.1348 3.2194 3.2787 4.4531 4.5247 4.5806 4.6141 5.7954 5.8579 5.9201 5.9673 8.7449 8.7611 8.9892 8.9958 9.3370 9.3586 9.5340 9.5388 k = 0.2528 0.6085 0.5240 ( 3924 PWs) bands (ev): -5.7094 -5.7042 -5.6770 -5.6716 -2.9364 -2.9228 -2.9102 -2.8179 -2.1431 -2.1167 -2.1118 -2.1057 -2.1028 -1.9113 -1.8378 -1.8317 -1.4830 -1.4769 -1.4715 -1.4563 -1.4525 -1.4511 -1.4117 -1.3859 -1.1151 -1.1028 -1.0955 -0.9651 1.9637 1.9671 2.0419 2.0466 3.1191 3.1489 3.1846 3.2503 4.4573 4.5395 4.5651 4.6106 5.8191 5.8789 5.9009 5.9483 8.8169 8.8342 8.9571 8.9630 9.3526 9.3694 9.4500 9.4580 k = 0.2500 0.6018 0.5414 ( 3924 PWs) bands (ev): -5.6941 -5.6927 -5.6878 -5.6877 -2.9251 -2.9248 -2.9173 -2.8196 -2.1426 -2.1116 -2.1108 -2.1107 -2.1043 -1.9109 -1.8353 -1.8347 -1.4789 -1.4785 -1.4723 -1.4554 -1.4529 -1.4522 -1.4126 -1.3863 -1.1055 -1.1051 -1.1034 -0.9656 2.0036 2.0046 2.0046 2.0124 3.1469 3.1471 3.1633 3.2359 4.4586 4.5520 4.5523 4.6095 5.8309 5.8904 5.8905 5.9381 8.8768 8.9023 8.9023 8.9138 9.3672 9.3806 9.4191 9.4193 k = 0.2500 0.6018 0.5414 ( 3924 PWs) bands (ev): -5.6941 -5.6927 -5.6878 -5.6877 -2.9251 -2.9248 -2.9173 -2.8196 -2.1426 -2.1116 -2.1108 -2.1107 -2.1043 -1.9109 -1.8353 -1.8347 -1.4789 -1.4785 -1.4723 -1.4554 -1.4529 -1.4522 -1.4126 -1.3863 -1.1055 -1.1051 -1.1034 -0.9656 2.0036 2.0046 2.0046 2.0124 3.1469 3.1471 3.1633 3.2359 4.4586 4.5520 4.5523 4.6095 5.8309 5.8904 5.8905 5.9381 8.8768 8.9023 8.9023 8.9138 9.3672 9.3806 9.4191 9.4193 k = 0.2375 0.6070 0.5279 ( 3920 PWs) bands (ev): -5.6984 -5.6974 -5.6835 -5.6830 -2.9298 -2.9257 -2.9124 -2.8190 -2.1431 -2.1167 -2.1116 -2.1046 -2.1040 -1.9113 -1.8351 -1.8345 -1.4808 -1.4792 -1.4710 -1.4566 -1.4521 -1.4514 -1.4117 -1.3859 -1.1072 -1.1053 -1.1011 -0.9656 1.9662 1.9696 2.0378 2.0433 3.1378 3.1459 3.1779 3.2423 4.4580 4.5518 4.5531 4.6101 5.8173 5.8772 5.9022 5.9494 8.8118 8.8340 8.9573 8.9695 9.3566 9.3716 9.4509 9.4519 k = 0.2250 0.6122 0.5144 ( 3924 PWs) bands (ev): -5.7047 -5.7039 -5.6771 -5.6766 -2.9369 -2.9277 -2.9048 -2.8172 -2.1446 -2.1213 -2.1126 -2.1039 -2.0972 -1.9123 -1.8345 -1.8336 -1.4851 -1.4808 -1.4694 -1.4586 -1.4505 -1.4497 -1.4092 -1.3845 -1.1092 -1.1051 -1.0976 -0.9654 1.9247 1.9274 2.0670 2.0733 3.1280 3.1437 3.2038 3.2601 4.4563 4.5506 4.5561 4.6122 5.7902 5.8515 5.9236 5.9687 8.7334 8.7564 9.0016 9.0061 9.3639 9.3859 9.5107 9.5114 k = 0.2125 0.6174 0.5008 ( 3932 PWs) bands (ev): -5.7112 -5.7104 -5.6706 -5.6700 -2.9440 -2.9309 -2.8968 -2.8144 -2.1471 -2.1247 -2.1141 -2.1036 -2.0896 -1.9139 -1.8337 -1.8322 -1.4902 -1.4833 -1.4682 -1.4606 -1.4484 -1.4479 -1.4055 -1.3822 -1.1109 -1.1049 -1.0935 -0.9652 1.8804 1.8825 2.0914 2.0984 3.1218 3.1420 3.2362 3.2874 4.4531 4.5482 4.5614 4.6159 5.7594 5.8226 5.9447 5.9870 8.6570 8.6802 9.0150 9.0177 9.4087 9.4377 9.5810 9.5815 k = 0.2000 0.6226 0.4873 ( 3930 PWs) bands (ev): -5.7176 -5.7169 -5.6642 -5.6636 -2.9508 -2.9351 -2.8887 -2.8109 -2.1504 -2.1270 -2.1158 -2.1035 -2.0817 -1.9159 -1.8326 -1.8302 -1.4956 -1.4865 -1.4676 -1.4625 -1.4463 -1.4458 -1.4007 -1.3792 -1.1122 -1.1045 -1.0889 -0.9649 1.8340 1.8355 2.1110 2.1188 3.1190 3.1416 3.2746 3.3225 4.4483 4.5442 4.5692 4.6218 5.7276 5.7923 5.9626 6.0018 8.5852 8.6082 9.0066 9.0139 9.4842 9.5177 9.6574 9.6580 k = 0.1875 0.6278 0.4737 ( 3934 PWs) bands (ev): -5.7239 -5.7232 -5.6579 -5.6573 -2.9574 -2.9399 -2.8806 -2.8069 -2.1540 -2.1285 -2.1178 -2.1036 -2.0736 -1.9184 -1.8313 -1.8280 -1.5012 -1.4903 -1.4674 -1.4643 -1.4445 -1.4433 -1.3954 -1.3755 -1.1131 -1.1041 -1.0838 -0.9646 1.7864 1.7872 2.1260 2.1345 3.1188 3.1426 3.3184 3.3642 4.4416 4.5382 4.5798 4.6303 5.6955 5.7614 5.9761 6.0120 8.5199 8.5423 8.9929 9.0030 9.5774 9.6140 9.7372 9.7382 k = 0.1750 0.6330 0.4602 ( 3936 PWs) bands (ev): -5.7299 -5.7293 -5.6518 -5.6512 -2.9636 -2.9451 -2.8725 -2.8027 -2.1576 -2.1295 -2.1198 -2.1041 -2.0654 -1.9211 -1.8298 -1.8255 -1.5067 -1.4944 -1.4674 -1.4658 -1.4428 -1.4410 -1.3896 -1.3714 -1.1137 -1.1037 -1.0781 -0.9642 1.7382 1.7385 2.1370 2.1459 3.1208 3.1448 3.3673 3.4118 4.4330 4.5301 4.5934 4.6416 5.6636 5.7302 5.9842 6.0170 8.4624 8.4840 8.9810 8.9932 9.6799 9.7188 9.8180 9.8200 k = 0.1625 0.6382 0.4467 ( 3932 PWs) bands (ev): -5.7358 -5.7352 -5.6460 -5.6454 -2.9695 -2.9506 -2.8645 -2.7985 -2.1609 -2.1302 -2.1220 -2.1048 -2.0572 -1.9239 -1.8280 -1.8229 -1.5120 -1.4986 -1.4675 -1.4672 -1.4410 -1.4389 -1.3836 -1.3670 -1.1140 -1.1032 -1.0720 -0.9638 1.6901 1.6902 2.1444 2.1537 3.1242 3.1479 3.4203 3.4642 4.4224 4.5199 4.6101 4.6557 5.6320 5.6985 5.9867 6.0164 8.4137 8.4341 8.9746 8.9883 9.7868 9.8275 9.8963 9.9009 k = 0.1500 0.6434 0.4331 ( 3940 PWs) bands (ev): -5.7413 -5.7408 -5.6404 -5.6398 -2.9749 -2.9562 -2.8567 -2.7944 -2.1638 -2.1306 -2.1243 -2.1060 -2.0490 -1.9269 -1.8261 -1.8204 -1.5171 -1.5030 -1.4684 -1.4678 -1.4393 -1.4369 -1.3776 -1.3625 -1.1139 -1.1026 -1.0654 -0.9634 1.6426 1.6430 2.1489 2.1582 3.1286 3.1515 3.4767 3.5205 4.4100 4.5075 4.6297 4.6727 5.6007 5.6665 5.9833 6.0101 8.3746 8.3937 8.9750 8.9901 9.8944 9.9347 9.9646 9.9771 k = 0.1375 0.6485 0.4196 ( 3944 PWs) bands (ev): -5.7466 -5.7461 -5.6351 -5.6345 -2.9799 -2.9618 -2.8490 -2.7907 -2.1661 -2.1310 -2.1266 -2.1074 -2.0409 -1.9299 -1.8240 -1.8179 -1.5219 -1.5074 -1.4695 -1.4681 -1.4377 -1.4351 -1.3716 -1.3579 -1.1136 -1.1021 -1.0584 -0.9631 1.5966 1.5973 2.1509 2.1603 3.1336 3.1553 3.5357 3.5799 4.3958 4.4933 4.6522 4.6925 5.5695 5.6340 5.9742 5.9982 8.3457 8.3634 8.9829 8.9991 9.9872 10.0073 10.0133 10.0602 k = 0.1250 0.6537 0.4061 ( 3948 PWs) bands (ev): -5.7515 -5.7510 -5.6301 -5.6296 -2.9844 -2.9672 -2.8415 -2.7873 -2.1679 -2.1312 -2.1289 -2.1091 -2.0330 -1.9329 -1.8218 -1.8155 -1.5263 -1.5117 -1.4704 -1.4684 -1.4361 -1.4336 -1.3658 -1.3535 -1.1131 -1.1016 -1.0511 -0.9629 1.5527 1.5537 2.1512 2.1603 3.1389 3.1591 3.5963 3.6415 4.3802 4.4773 4.6772 4.7147 5.5385 5.6008 5.9596 5.9811 8.3275 8.3436 8.9980 9.0152 9.9624 9.9897 10.1080 10.1604 k = 0.1125 0.6589 0.3925 ( 3952 PWs) bands (ev): -5.7560 -5.7556 -5.6255 -5.6251 -2.9884 -2.9723 -2.8342 -2.7844 -2.1691 -2.1314 -2.1313 -2.1110 -2.0253 -1.9360 -1.8196 -1.8133 -1.5303 -1.5159 -1.4711 -1.4688 -1.4347 -1.4322 -1.3602 -1.3493 -1.1124 -1.1011 -1.0435 -0.9628 1.5114 1.5126 2.1501 2.1588 3.1441 3.1627 3.6577 3.7043 4.3634 4.4599 4.7045 4.7390 5.5076 5.5672 5.9403 5.9594 8.3202 8.3344 9.0197 9.0377 9.8775 9.9061 10.2037 10.2542 k = 0.1000 0.6641 0.3790 ( 3950 PWs) bands (ev): -5.7601 -5.7597 -5.6214 -5.6209 -2.9920 -2.9772 -2.8273 -2.7821 -2.1696 -2.1338 -2.1314 -2.1130 -2.0178 -1.9391 -1.8174 -1.8114 -1.5338 -1.5199 -1.4717 -1.4692 -1.4333 -1.4309 -1.3551 -1.3455 -1.1116 -1.1008 -1.0358 -0.9630 1.4732 1.4745 2.1481 2.1563 3.1491 3.1659 3.7190 3.7674 4.3456 4.4413 4.7335 4.7650 5.4771 5.5332 5.9171 5.9340 8.3236 8.3359 9.0468 9.0654 9.7734 9.7999 10.2904 10.3367 k = 0.0875 0.6693 0.3655 ( 3950 PWs) bands (ev): -5.7638 -5.7635 -5.6176 -5.6172 -2.9950 -2.9818 -2.8207 -2.7804 -2.1696 -2.1364 -2.1314 -2.1152 -2.0106 -1.9423 -1.8153 -1.8096 -1.5367 -1.5237 -1.4722 -1.4697 -1.4320 -1.4298 -1.3503 -1.3420 -1.1106 -1.1005 -1.0280 -0.9635 1.4385 1.4398 2.1457 2.1531 3.1538 3.1686 3.7794 3.8300 4.3269 4.4216 4.7634 4.7918 5.4474 5.4992 5.8911 5.9060 8.3373 8.3477 9.0780 9.0969 9.6642 9.6884 10.3657 10.4098 k = 0.0750 0.6745 0.3519 ( 3946 PWs) bands (ev): -5.7671 -5.7668 -5.6143 -5.6140 -2.9975 -2.9859 -2.8144 -2.7793 -2.1691 -2.1391 -2.1312 -2.1174 -2.0037 -1.9456 -1.8132 -1.8081 -1.5392 -1.5273 -1.4725 -1.4701 -1.4308 -1.4289 -1.3460 -1.3390 -1.1095 -1.1004 -1.0203 -0.9644 1.4076 1.4089 2.1431 2.1497 3.1580 3.1709 3.8379 3.8909 4.3078 4.4009 4.7936 4.8187 5.4190 5.4658 5.8637 5.8767 8.3606 8.3689 9.1116 9.1304 9.5556 9.5776 10.4271 10.4750 k = 0.0625 0.6797 0.3384 ( 3948 PWs) bands (ev): -5.7699 -5.7696 -5.6115 -5.6112 -2.9994 -2.9896 -2.8086 -2.7789 -2.1680 -2.1419 -2.1310 -2.1195 -1.9971 -1.9490 -1.8113 -1.8069 -1.5410 -1.5307 -1.4727 -1.4705 -1.4298 -1.4281 -1.3422 -1.3364 -1.1083 -1.1004 -1.0128 -0.9658 1.3809 1.3821 2.1406 2.1463 3.1618 3.1725 3.8936 3.9491 4.2883 4.3790 4.8230 4.8446 5.3929 5.4339 5.8364 5.8475 8.3920 8.3983 9.1453 9.1640 9.4508 9.4711 10.4708 10.5322 k = 0.0500 0.6849 0.3249 ( 3950 PWs) bands (ev): -5.7722 -5.7719 -5.6091 -5.6089 -3.0008 -2.9929 -2.8031 -2.7791 -2.1664 -2.1448 -2.1306 -2.1215 -1.9909 -1.9526 -1.8097 -1.8060 -1.5423 -1.5337 -1.4728 -1.4710 -1.4289 -1.4276 -1.3390 -1.3344 -1.1072 -1.1006 -1.0055 -0.9676 1.3587 1.3597 2.1385 2.1431 3.1650 3.1737 3.9458 4.0031 4.2690 4.3559 4.8503 4.8682 5.3701 5.4045 5.8108 5.8199 8.4295 8.4339 9.1765 9.1954 9.3531 9.3726 10.4934 10.5721 k = 0.0375 0.6901 0.3113 ( 3952 PWs) bands (ev): -5.7739 -5.7738 -5.6073 -5.6071 -3.0017 -2.9957 -2.7982 -2.7800 -2.1645 -2.1478 -2.1301 -2.1233 -1.9850 -1.9564 -1.8082 -1.8054 -1.5430 -1.5364 -1.4728 -1.4714 -1.4282 -1.4271 -1.3363 -1.3329 -1.1060 -1.1009 -0.9987 -0.9701 1.3413 1.3420 2.1367 2.1403 3.1678 3.1743 3.9935 4.0505 4.2512 4.3313 4.8743 4.8882 5.3518 5.3786 5.7886 5.7956 8.4698 8.4726 9.1992 9.2215 9.2671 9.2895 10.4993 10.5536 k = 0.0250 0.6953 0.2978 ( 3954 PWs) bands (ev): -5.7752 -5.7751 -5.6059 -5.6058 -3.0020 -2.9980 -2.7937 -2.7815 -2.1622 -2.1508 -2.1294 -2.1249 -1.9794 -1.9604 -1.8070 -1.8051 -1.5432 -1.5386 -1.4727 -1.4717 -1.4276 -1.4269 -1.3343 -1.3320 -1.1049 -1.1014 -0.9923 -0.9732 1.3287 1.3292 2.1356 2.1380 3.1701 3.1744 4.0357 4.0866 4.2383 4.3052 4.8936 4.9031 5.3392 5.3577 5.7716 5.7764 8.5079 8.5094 9.1860 9.1925 9.2458 9.2522 10.4983 10.5322 k = 0.0125 0.7005 0.2842 ( 3958 PWs) bands (ev): -5.7760 -5.7759 -5.6051 -5.6051 -3.0018 -2.9998 -2.7898 -2.7837 -2.1596 -2.1538 -2.1286 -2.1263 -1.9742 -1.9647 -1.8060 -1.8051 -1.5428 -1.5405 -1.4726 -1.4721 -1.4271 -1.4268 -1.3328 -1.3317 -1.1039 -1.1021 -0.9866 -0.9770 1.3211 1.3214 2.1351 2.1363 3.1719 3.1741 4.0709 4.1033 4.2378 4.2783 4.9068 4.9116 5.3332 5.3426 5.7612 5.7637 8.5364 8.5370 9.1452 9.1456 9.2576 9.2580 10.4982 10.5146 k = 0.0000 0.7057 0.2707 ( 3954 PWs) bands (ev): -5.7762 -5.7762 -5.6048 -5.6048 -3.0011 -3.0011 -2.7865 -2.7865 -2.1568 -2.1568 -2.1275 -2.1275 -1.9693 -1.9693 -1.8054 -1.8054 -1.5419 -1.5419 -1.4723 -1.4723 -1.4269 -1.4269 -1.3319 -1.3319 -1.1029 -1.1029 -0.9814 -0.9814 1.3187 1.3187 2.1354 2.1354 3.1732 3.1732 4.0958 4.0958 4.2535 4.2535 4.9130 4.9130 5.3343 5.3343 5.7585 5.7585 8.5474 8.5474 9.1285 9.1285 9.2619 9.2619 10.5031 10.5031 k = 0.0000 0.7057 0.2707 ( 3954 PWs) bands (ev): -5.7762 -5.7762 -5.6048 -5.6048 -3.0011 -3.0011 -2.7865 -2.7865 -2.1568 -2.1568 -2.1275 -2.1275 -1.9693 -1.9693 -1.8054 -1.8054 -1.5419 -1.5419 -1.4723 -1.4723 -1.4269 -1.4269 -1.3319 -1.3319 -1.1029 -1.1029 -0.9814 -0.9814 1.3187 1.3187 2.1354 2.1354 3.1732 3.1732 4.0958 4.0958 4.2535 4.2535 4.9130 4.9130 5.3343 5.3343 5.7585 5.7585 8.5474 8.5474 9.1285 9.1285 9.2619 9.2619 10.5031 10.5031 k =-0.0146 0.7011 0.2825 ( 3963 PWs) bands (ev): -5.7771 -5.7762 -5.6043 -5.6036 -3.0046 -2.9986 -2.7896 -2.7850 -2.1603 -2.1541 -2.1317 -2.1230 -1.9744 -1.9652 -1.8194 -1.7919 -1.5470 -1.5374 -1.4750 -1.4699 -1.4303 -1.4236 -1.3367 -1.3282 -1.1292 -1.0781 -1.0057 -0.9508 1.3158 1.3163 2.1403 2.1414 3.1677 3.1729 4.0965 4.1041 4.2503 4.2547 4.9061 4.9174 5.3357 5.3380 5.7592 5.7617 8.5463 8.5487 9.1117 9.1300 9.2601 9.2691 10.4639 10.5036 k =-0.0292 0.6966 0.2943 ( 3954 PWs) bands (ev): -5.7789 -5.7771 -5.6021 -5.6006 -3.0091 -2.9971 -2.7946 -2.7851 -2.1648 -2.1521 -2.1354 -2.1185 -1.9804 -1.9622 -1.8336 -1.7789 -1.5525 -1.5334 -1.4778 -1.4677 -1.4337 -1.4203 -1.3423 -1.3256 -1.1539 -1.0688 -1.0098 -0.9172 1.3076 1.3086 2.1560 2.1581 3.1568 3.1670 4.1045 4.1204 4.2462 4.2549 4.8974 4.9193 5.3422 5.3465 5.7638 5.7688 8.5452 8.5500 9.0820 9.1155 9.2646 9.2791 10.4054 10.4632 k =-0.0439 0.6921 0.3060 ( 3950 PWs) bands (ev): -5.7814 -5.7789 -5.5982 -5.5960 -3.0145 -2.9968 -2.8012 -2.7867 -2.1703 -2.1507 -2.1383 -2.1141 -1.9871 -1.9605 -1.8480 -1.7665 -1.5585 -1.5299 -1.4807 -1.4657 -1.4371 -1.4172 -1.3485 -1.3243 -1.1762 -1.0829 -0.9862 -0.8814 1.2949 1.2963 2.1816 2.1849 3.1418 3.1567 4.1147 4.1395 4.2451 4.2580 4.8879 4.9189 5.3536 5.3597 5.7719 5.7793 8.5431 8.5506 9.0413 9.0868 9.2733 9.2900 10.3411 10.4062 k =-0.0585 0.6876 0.3178 ( 3960 PWs) bands (ev): -5.7847 -5.7814 -5.5927 -5.5899 -3.0208 -2.9980 -2.8096 -2.7898 -2.1766 -2.1498 -2.1404 -2.1100 -1.9944 -1.9599 -1.8622 -1.7548 -1.5647 -1.5269 -1.4838 -1.4640 -1.4403 -1.4141 -1.3547 -1.3241 -1.1959 -1.1029 -0.9529 -0.8443 1.2784 1.2803 2.2163 2.2209 3.1241 3.1435 4.1194 4.1509 4.2553 4.2706 4.8786 4.9172 5.3695 5.3771 5.7832 5.7927 8.5384 8.5490 8.9911 9.0463 9.2839 9.3009 10.2805 10.3504 k =-0.0731 0.6831 0.3296 ( 3960 PWs) bands (ev): -5.7885 -5.7846 -5.5857 -5.5824 -3.0282 -3.0007 -2.8197 -2.7940 -2.1834 -2.1497 -2.1417 -2.1064 -2.0019 -1.9605 -1.8761 -1.7438 -1.5711 -1.5244 -1.4870 -1.4628 -1.4433 -1.4113 -1.3607 -1.3249 -1.2133 -1.1227 -0.9167 -0.8062 1.2590 1.2614 2.2591 2.2650 3.1056 3.1292 4.1132 4.1468 4.2810 4.2977 4.8711 4.9156 5.3890 5.3984 5.7968 5.8084 8.5282 8.5421 8.9341 8.9971 9.2955 9.3117 10.2297 10.3039 k =-0.0877 0.6786 0.3413 ( 3950 PWs) bands (ev): -5.7928 -5.7883 -5.5774 -5.5737 -3.0366 -3.0054 -2.8313 -2.7992 -2.1903 -2.1503 -2.1421 -2.1034 -2.0095 -1.9622 -1.8893 -1.7334 -1.5774 -1.5224 -1.4903 -1.4623 -1.4457 -1.4087 -1.3659 -1.3267 -1.2286 -1.1410 -0.8794 -0.7678 1.2374 1.2405 2.3087 2.3162 3.0879 3.1156 4.0971 4.1306 4.3155 4.3365 4.8677 4.9163 5.4115 5.4231 5.8122 5.8255 8.5075 8.5241 8.8767 8.9443 9.3075 9.3227 10.1921 10.2704 k =-0.1023 0.6741 0.3531 ( 3950 PWs) bands (ev): -5.7975 -5.7925 -5.5679 -5.5639 -3.0465 -3.0122 -2.8442 -2.8050 -2.1971 -2.1514 -2.1419 -2.1011 -2.0167 -1.9652 -1.9016 -1.7236 -1.5835 -1.5208 -1.4936 -1.4627 -1.4472 -1.4066 -1.3701 -1.3293 -1.2420 -1.1578 -0.8420 -0.7295 1.2145 1.2182 2.3644 2.3736 3.0724 3.1040 4.0742 4.1076 4.3517 4.3799 4.8709 4.9223 5.4362 5.4505 5.8286 5.8435 8.4688 8.4865 8.8285 8.8959 9.3200 9.3342 10.1686 10.2505 k =-0.1170 0.6695 0.3649 ( 3944 PWs) bands (ev): -5.8026 -5.7971 -5.5574 -5.5531 -3.0579 -3.0217 -2.8580 -2.8112 -2.2034 -2.1527 -2.1415 -2.0999 -2.0232 -1.9691 -1.9128 -1.7145 -1.5890 -1.5197 -1.4969 -1.4641 -1.4475 -1.4050 -1.3730 -1.3326 -1.2539 -1.1731 -0.8049 -0.6917 1.1907 1.1952 2.4252 2.4364 3.0602 3.0957 4.0472 4.0805 4.3850 4.4210 4.8839 4.9366 5.4624 5.4799 5.8453 5.8617 8.4052 8.4229 8.7983 8.8601 9.3333 9.3465 10.1582 10.2432 k =-0.1316 0.6650 0.3766 ( 3946 PWs) bands (ev): -5.8079 -5.8021 -5.5459 -5.5414 -3.0713 -3.0340 -2.8721 -2.8172 -2.2089 -2.1541 -2.1410 -2.0997 -2.0286 -1.9739 -1.9229 -1.7061 -1.5938 -1.5191 -1.5000 -1.4663 -1.4469 -1.4042 -1.3746 -1.3363 -1.2644 -1.1872 -0.7688 -0.6548 1.1666 1.1719 2.4904 2.5038 3.0524 3.0919 4.0177 4.0509 4.4114 4.4548 4.9099 4.9621 5.4895 5.5107 5.8617 5.8796 8.3154 8.3344 8.7866 8.8405 9.3475 9.3600 10.1584 10.2461 k =-0.1462 0.6605 0.3884 ( 3949 PWs) bands (ev): -5.8136 -5.8074 -5.5335 -5.5289 -3.0868 -3.0496 -2.8859 -2.8227 -2.2135 -2.1556 -2.1405 -2.1009 -2.0326 -1.9792 -1.9320 -1.6985 -1.5976 -1.5192 -1.5027 -1.4687 -1.4458 -1.4040 -1.3751 -1.3403 -1.2736 -1.2002 -0.7340 -0.6192 1.1425 1.1486 2.5594 2.5752 3.0496 3.0931 3.9867 4.0199 4.4292 4.4784 4.9504 5.0003 5.5170 5.5420 5.8773 5.8967 8.2054 8.2265 8.7882 8.8352 9.3630 9.3750 10.1660 10.2562 k =-0.1608 0.6560 0.4002 ( 3952 PWs) bands (ev): -5.8195 -5.8130 -5.5203 -5.5156 -3.1049 -3.0686 -2.8988 -2.8276 -2.2170 -2.1572 -2.1401 -2.1032 -2.0352 -1.9847 -1.9402 -1.6917 -1.6003 -1.5200 -1.5050 -1.4712 -1.4443 -1.4044 -1.3748 -1.3444 -1.2816 -1.2124 -0.7008 -0.5853 1.1188 1.1257 2.6314 2.6498 3.0525 3.0999 3.9550 3.9882 4.4386 4.4918 5.0046 5.0509 5.5444 5.5734 5.8915 5.9125 8.0827 8.1050 8.7978 8.8399 9.3798 9.3917 10.1769 10.2696 k =-0.1755 0.6515 0.4120 ( 3948 PWs) bands (ev): -5.8257 -5.8189 -5.5063 -5.5016 -3.1255 -3.0910 -2.9102 -2.8316 -2.2193 -2.1588 -2.1398 -2.1065 -2.0364 -1.9900 -1.9480 -1.6859 -1.6017 -1.5216 -1.5067 -1.4736 -1.4426 -1.4051 -1.3744 -1.3480 -1.2884 -1.2239 -0.6696 -0.5533 1.0958 1.1034 2.7059 2.7268 3.0614 3.1128 3.9232 3.9567 4.4411 4.4970 5.0698 5.1116 5.5711 5.6043 5.9042 5.9266 7.9523 7.9749 8.8123 8.8511 9.3982 9.4101 10.1862 10.2814 k =-0.1901 0.6470 0.4237 ( 3950 PWs) bands (ev): -5.8322 -5.8252 -5.4917 -5.4869 -3.1487 -3.1166 -2.9199 -2.8345 -2.2205 -2.1605 -2.1397 -2.1102 -2.0364 -1.9949 -1.9554 -1.6811 -1.6017 -1.5238 -1.5077 -1.4758 -1.4408 -1.4060 -1.3747 -1.3505 -1.2942 -1.2349 -0.6406 -0.5235 1.0737 1.0818 2.7821 2.8052 3.0770 3.1318 3.8919 3.9260 4.4391 4.4967 5.1428 5.1799 5.5967 5.6343 5.9148 5.9389 7.8180 7.8398 8.8293 8.8660 9.4183 9.4305 10.1879 10.2850 k =-0.2047 0.6425 0.4355 ( 3945 PWs) bands (ev): -5.8392 -5.8319 -5.4765 -5.4716 -3.1745 -3.1451 -2.9275 -2.8364 -2.2205 -2.1622 -2.1399 -2.1138 -2.0357 -1.9992 -1.9626 -1.6776 -1.6001 -1.5266 -1.5084 -1.4778 -1.4387 -1.4068 -1.3764 -1.3514 -1.2989 -1.2455 -0.6139 -0.4961 1.0528 1.0614 2.8590 2.8834 3.1001 3.1570 3.8617 3.8966 4.4348 4.4937 5.2205 5.2527 5.6209 5.6631 5.9233 5.9488 7.6824 7.7029 8.8475 8.8827 9.4401 9.4528 10.1758 10.2699 k =-0.2193 0.6379 0.4473 ( 3953 PWs) bands (ev): -5.8465 -5.8390 -5.4606 -5.4557 -3.2024 -3.1759 -2.9332 -2.8373 -2.2195 -2.1640 -2.1406 -2.1168 -2.0346 -2.0026 -1.9697 -1.6752 -1.5970 -1.5296 -1.5088 -1.4797 -1.4365 -1.4077 -1.3796 -1.3505 -1.3027 -1.2557 -0.5897 -0.4712 1.0335 1.0422 2.9349 2.9588 3.1328 3.1887 3.8332 3.8694 4.4301 4.4900 5.3003 5.3271 5.6432 5.6906 5.9295 5.9561 7.5479 7.5665 8.8654 8.8996 9.4636 9.4770 10.1466 10.2244 k =-0.2339 0.6334 0.4590 ( 3957 PWs) bands (ev): -5.8543 -5.8467 -5.4442 -5.4392 -3.2323 -3.2085 -2.9370 -2.8371 -2.2177 -2.1659 -2.1419 -2.1188 -2.0334 -2.0052 -1.9767 -1.6739 -1.5926 -1.5327 -1.5092 -1.4813 -1.4341 -1.4085 -1.3838 -1.3484 -1.3056 -1.2655 -0.5681 -0.4489 1.0160 1.0246 3.0063 3.0279 3.1789 3.2273 3.8070 3.8449 4.4265 4.4876 5.3794 5.4001 5.6636 5.7169 5.9333 5.9604 7.4167 7.4333 8.8820 8.9150 9.4889 9.5031 10.1024 10.1568 k =-0.2486 0.6289 0.4708 ( 3957 PWs) bands (ev): -5.8626 -5.8549 -5.4272 -5.4221 -3.2637 -3.2424 -2.9391 -2.8359 -2.2152 -2.1680 -2.1438 -2.1197 -2.0325 -2.0069 -1.9834 -1.6735 -1.5872 -1.5358 -1.5094 -1.4828 -1.4316 -1.4093 -1.3884 -1.3456 -1.3077 -1.2750 -0.5492 -0.4293 1.0005 1.0088 3.0651 3.0912 3.2412 3.2742 3.7838 3.8237 4.4255 4.4878 5.4548 5.4686 5.6816 5.7428 5.9345 5.9612 7.2916 7.3058 8.8958 8.9275 9.5159 9.5310 10.0496 10.0850 k =-0.2632 0.6244 0.4826 ( 3951 PWs) bands (ev): -5.8714 -5.8637 -5.4097 -5.4045 -3.2962 -3.2771 -2.9395 -2.8338 -2.2121 -2.1701 -2.1460 -2.1194 -2.0321 -2.0081 -1.9894 -1.6737 -1.5810 -1.5388 -1.5096 -1.4841 -1.4288 -1.4102 -1.3931 -1.3425 -1.3090 -1.2841 -0.5329 -0.4124 0.9875 0.9952 3.1077 3.1492 3.3167 3.3321 3.7646 3.8066 4.4283 4.4921 5.5201 5.5320 5.6968 5.7694 5.9331 5.9576 7.1757 7.1875 8.9058 8.9355 9.5444 9.5604 9.9939 10.0171 k =-0.2778 0.6199 0.4943 ( 3943 PWs) bands (ev): -5.8810 -5.8732 -5.3917 -5.3864 -3.3296 -3.3122 -2.9384 -2.8307 -2.2087 -2.1724 -2.1483 -2.1183 -2.0323 -2.0100 -1.9934 -1.6744 -1.5743 -1.5417 -1.5099 -1.4852 -1.4260 -1.4112 -1.3976 -1.3394 -1.3095 -1.2927 -0.5191 -0.3982 0.9770 0.9839 3.1391 3.1970 3.3952 3.4068 3.7501 3.7940 4.4362 4.5016 5.5670 5.5913 5.7085 5.7973 5.9283 5.9485 7.0733 7.0825 8.9105 8.9375 9.5738 9.5910 9.9392 9.9560 k =-0.2924 0.6154 0.5061 ( 3938 PWs) bands (ev): -5.8912 -5.8835 -5.3732 -5.3677 -3.3635 -3.3472 -2.9358 -2.8266 -2.2051 -2.1748 -2.1504 -2.1164 -2.0329 -2.0143 -1.9941 -1.6754 -1.5673 -1.5445 -1.5101 -1.4861 -1.4230 -1.4125 -1.4015 -1.3365 -1.3094 -1.3004 -0.5078 -0.3867 0.9695 0.9752 3.1626 3.2324 3.4743 3.4956 3.7412 3.7862 4.4501 4.5175 5.5968 5.6394 5.7157 5.8253 5.9194 5.9320 6.9895 6.9962 8.9088 8.9324 9.6031 9.6219 9.8862 9.9020 k =-0.3070 0.6108 0.5179 ( 3938 PWs) bands (ev): -5.9023 -5.8945 -5.3542 -5.3486 -3.3975 -3.3819 -2.9319 -2.8216 -2.2014 -2.1772 -2.1524 -2.1138 -2.0337 -2.0204 -1.9922 -1.6767 -1.5603 -1.5471 -1.5104 -1.4868 -1.4201 -1.4145 -1.4046 -1.3345 -1.3091 -1.3062 -0.4990 -0.3777 0.9650 0.9695 3.1792 3.2561 3.5590 3.5884 3.7382 3.7832 4.4711 4.5405 5.6118 5.6698 5.7191 5.8486 5.9043 5.9066 6.9301 6.9344 8.8999 8.9196 9.6302 9.6513 9.8316 9.8511 k =-0.3217 0.6063 0.5297 ( 3937 PWs) bands (ev): -5.9141 -5.9065 -5.3347 -5.3289 -3.4315 -3.4160 -2.9266 -2.8157 -2.1978 -2.1796 -2.1542 -2.1108 -2.0347 -2.0273 -1.9887 -1.6782 -1.5534 -1.5494 -1.5107 -1.4872 -1.4177 -1.4166 -1.4067 -1.3340 -1.3119 -1.3060 -0.4923 -0.3713 0.9639 0.9669 3.1890 3.2693 3.6476 3.6820 3.7412 3.7858 4.4998 4.5713 5.6135 5.6750 5.7219 5.8599 5.8696 5.8864 6.8998 6.9021 8.8833 8.8993 9.6505 9.6745 9.7714 9.7929 k =-0.3363 0.6018 0.5414 ( 3936 PWs) bands (ev): -5.9269 -5.9194 -5.3148 -5.3087 -3.4649 -3.4493 -2.9199 -2.8088 -2.1944 -2.1820 -2.1557 -2.1072 -2.0366 -2.0335 -1.9844 -1.6799 -1.5517 -1.5468 -1.5110 -1.4873 -1.4205 -1.4143 -1.4080 -1.3358 -1.3132 -1.3037 -0.4876 -0.3672 0.9661 0.9677 3.1927 3.2733 3.7291 3.7585 3.7608 3.8081 4.5364 4.6101 5.6006 5.6561 5.7186 5.8276 5.8434 5.8780 6.9000 6.9008 8.8590 8.8727 9.6441 9.6678 9.7238 9.7368 k =-0.3363 0.6018 0.5414 ( 3936 PWs) bands (ev): -5.9269 -5.9194 -5.3148 -5.3087 -3.4649 -3.4493 -2.9199 -2.8088 -2.1944 -2.1820 -2.1557 -2.1072 -2.0366 -2.0335 -1.9844 -1.6799 -1.5517 -1.5468 -1.5110 -1.4873 -1.4205 -1.4143 -1.4080 -1.3358 -1.3132 -1.3037 -0.4876 -0.3672 0.9661 0.9677 3.1927 3.2733 3.7291 3.7585 3.7608 3.8081 4.5364 4.6101 5.6006 5.6561 5.7186 5.8276 5.8434 5.8780 6.9000 6.9008 8.8590 8.8727 9.6441 9.6678 9.7238 9.7368 k =-0.3434 0.5847 0.5414 ( 3944 PWs) bands (ev): -5.9515 -5.9443 -5.2768 -5.2702 -3.5272 -3.5110 -2.9061 -2.7950 -2.1880 -2.1866 -2.1585 -2.1001 -2.0440 -2.0418 -1.9755 -1.6833 -1.5556 -1.5351 -1.5122 -1.4870 -1.4266 -1.4105 -1.4097 -1.3395 -1.3134 -1.2983 -0.4819 -0.3629 0.9751 0.9762 3.1953 3.2745 3.8303 3.8512 3.8523 3.9117 4.6131 4.6910 5.5498 5.5844 5.7014 5.7533 5.7981 5.8705 6.9367 6.9367 8.8066 8.8180 9.5730 9.5926 9.6623 9.6741 k =-0.3505 0.5675 0.5414 ( 3952 PWs) bands (ev): -5.9752 -5.9682 -5.2397 -5.2326 -3.5882 -3.5715 -2.8921 -2.7813 -2.1911 -2.1812 -2.1611 -2.0930 -2.0514 -2.0502 -1.9665 -1.6872 -1.5593 -1.5235 -1.5140 -1.4867 -1.4322 -1.4116 -1.4085 -1.3394 -1.3136 -1.2927 -0.4788 -0.3615 0.9877 0.9917 3.2000 3.2777 3.9317 3.9446 3.9450 4.0150 4.6895 4.7719 5.4709 5.4831 5.6893 5.6988 5.7708 5.8635 6.9881 6.9881 8.7557 8.7646 9.5024 9.5180 9.5875 9.6004 k =-0.3576 0.5504 0.5414 ( 3952 PWs) bands (ev): -5.9978 -5.9912 -5.2034 -5.1958 -3.6479 -3.6308 -2.8780 -2.7679 -2.1956 -2.1740 -2.1639 -2.0860 -2.0588 -2.0586 -1.9577 -1.6915 -1.5630 -1.5165 -1.5122 -1.4863 -1.4371 -1.4129 -1.4093 -1.3354 -1.3138 -1.2870 -0.4781 -0.3626 1.0058 1.0126 3.2064 3.2823 4.0329 4.0372 4.0394 4.1173 4.7655 4.8525 5.3636 5.3645 5.6692 5.6829 5.7541 5.8574 7.0502 7.0508 8.7063 8.7126 9.4321 9.4442 9.5015 9.5173 k =-0.3648 0.5333 0.5414 ( 3944 PWs) bands (ev): -6.0195 -6.0132 -5.1679 -5.1598 -3.7062 -3.6888 -2.8638 -2.7549 -2.2001 -2.1667 -2.1664 -2.0791 -2.0673 -2.0657 -1.9490 -1.6962 -1.5664 -1.5195 -1.5012 -1.4858 -1.4416 -1.4139 -1.4120 -1.3285 -1.3141 -1.2812 -0.4797 -0.3662 1.0293 1.0390 3.2142 3.2880 4.1297 4.1331 4.1338 4.2173 4.8406 4.9326 5.2379 5.2396 5.6568 5.6826 5.7431 5.8524 7.1204 7.1219 8.6583 8.6619 9.3619 9.3714 9.4061 9.4269 k =-0.3719 0.5161 0.5414 ( 3944 PWs) bands (ev): -6.0402 -6.0342 -5.1331 -5.1245 -3.7632 -3.7455 -2.8496 -2.7422 -2.2046 -2.1697 -2.1584 -2.0756 -2.0727 -2.0719 -1.9406 -1.7014 -1.5697 -1.5229 -1.4906 -1.4851 -1.4456 -1.4160 -1.4143 -1.3196 -1.3144 -1.2754 -0.4832 -0.3720 1.0584 1.0709 3.2228 3.2942 4.2213 4.2277 4.2312 4.3123 4.9146 5.0119 5.1077 5.1098 5.6559 5.6888 5.7358 5.8491 7.1969 7.1995 8.6120 8.6127 9.2890 9.2998 9.3032 9.3334 k =-0.3790 0.4990 0.5414 ( 3944 PWs) bands (ev): -6.0599 -6.0542 -5.0991 -5.0899 -3.8187 -3.8008 -2.8354 -2.7300 -2.2091 -2.1729 -2.1499 -2.0836 -2.0790 -2.0654 -1.9325 -1.7070 -1.5727 -1.5265 -1.4844 -1.4808 -1.4491 -1.4202 -1.4143 -1.3147 -1.3097 -1.2696 -0.4885 -0.3798 1.0930 1.1084 3.2319 3.3007 4.3116 4.3200 4.3249 4.3968 4.9742 4.9870 4.9885 5.0900 5.6640 5.7017 5.7316 5.8478 7.2784 7.2823 8.5650 8.5673 9.1943 9.2029 9.2296 9.2490 k =-0.3861 0.4819 0.5414 ( 3944 PWs) bands (ev): -6.0785 -6.0731 -5.0658 -5.0561 -3.8728 -3.8548 -2.8213 -2.7183 -2.2135 -2.1765 -2.1410 -2.0912 -2.0851 -2.0586 -1.9249 -1.7130 -1.5754 -1.5305 -1.4834 -1.4718 -1.4522 -1.4245 -1.4135 -1.3150 -1.2992 -1.2638 -0.4952 -0.3894 1.1334 1.1514 3.2410 3.3069 4.3998 4.4080 4.4082 4.4566 4.8472 4.8907 5.0578 5.1666 5.6802 5.7217 5.7304 5.8491 7.3642 7.3692 8.5188 8.5244 9.0805 9.0992 9.1611 9.1793 k =-0.3932 0.4647 0.5414 ( 3940 PWs) bands (ev): -6.0960 -6.0910 -5.0331 -5.0228 -3.9255 -3.9075 -2.8074 -2.7072 -2.2178 -2.1804 -2.1317 -2.0982 -2.0909 -2.0520 -1.9178 -1.7194 -1.5779 -1.5346 -1.4823 -1.4640 -1.4549 -1.4287 -1.4116 -1.3154 -1.2887 -1.2582 -0.5030 -0.4004 1.1794 1.2000 3.2498 3.3127 4.4431 4.4573 4.4851 4.5071 4.7507 4.8503 5.1264 5.2414 5.7040 5.7326 5.7487 5.8533 7.4534 7.4594 8.4744 8.4833 8.9630 8.9875 9.0946 9.1162 k =-0.4003 0.4476 0.5414 ( 3940 PWs) bands (ev): -6.1125 -6.1078 -5.0009 -4.9901 -3.9768 -3.9587 -2.7936 -2.6968 -2.2219 -2.1846 -2.1219 -2.1045 -2.0962 -2.0455 -1.9113 -1.7263 -1.5801 -1.5388 -1.4811 -1.4578 -1.4572 -1.4327 -1.4084 -1.3158 -1.2783 -1.2526 -0.5117 -0.4126 1.2310 1.2541 3.2581 3.3177 4.3706 4.4199 4.5666 4.5885 4.7383 4.8806 5.1924 5.3138 5.7352 5.7387 5.7828 5.8609 7.5454 7.5523 8.4318 8.4442 8.8426 8.8715 9.0307 9.0572 k =-0.4075 0.4305 0.5414 ( 3932 PWs) bands (ev): -6.1279 -6.1235 -4.9692 -4.9579 -4.0267 -4.0086 -2.7801 -2.6873 -2.2259 -2.1892 -2.1119 -2.1100 -2.1012 -2.0391 -1.9053 -1.7337 -1.5821 -1.5430 -1.4797 -1.4592 -1.4532 -1.4364 -1.4039 -1.3162 -1.2684 -1.2473 -0.5209 -0.4257 1.2883 1.3136 3.2655 3.3219 4.2548 4.3098 4.6436 4.6680 4.7963 4.9491 5.2555 5.3836 5.7492 5.7736 5.8239 5.8724 7.6396 7.6471 8.3913 8.4073 8.7203 8.7529 8.9698 9.0022 k =-0.4146 0.4133 0.5414 ( 3940 PWs) bands (ev): -6.1422 -6.1382 -4.9379 -4.9262 -4.0752 -4.0571 -2.7668 -2.6785 -2.2297 -2.1942 -2.1150 -2.1058 -2.1012 -2.0329 -1.8999 -1.7414 -1.5837 -1.5472 -1.4782 -1.4609 -1.4502 -1.4398 -1.3982 -1.3166 -1.2590 -1.2421 -0.5304 -0.4396 1.3512 1.3786 3.2720 3.3251 4.1227 4.1766 4.7152 4.7421 4.8750 5.0313 5.3153 5.4501 5.7646 5.8189 5.8716 5.8880 7.7351 7.7428 8.3530 8.3727 8.5967 8.6326 8.9129 8.9519 k =-0.4217 0.3962 0.5414 ( 3932 PWs) bands (ev): -6.1554 -6.1517 -4.9069 -4.8947 -4.1223 -4.1043 -2.7539 -2.6706 -2.2332 -2.1994 -2.1192 -2.1100 -2.0904 -2.0269 -1.8952 -1.7496 -1.5852 -1.5513 -1.4765 -1.4623 -1.4484 -1.4429 -1.3916 -1.3171 -1.2502 -1.2371 -0.5398 -0.4538 1.4197 1.4489 3.2774 3.3273 3.9841 4.0367 4.7806 4.8096 4.9582 5.1174 5.3712 5.5128 5.7855 5.8709 5.9078 5.9255 7.8308 7.8380 8.3172 8.3406 8.4726 8.5114 8.8613 8.9076 k =-0.4288 0.3791 0.5414 ( 3936 PWs) bands (ev): -6.1675 -6.1641 -4.8762 -4.8635 -4.1681 -4.1501 -2.7415 -2.6637 -2.2365 -2.2047 -2.1227 -2.1138 -2.0794 -2.0210 -1.8910 -1.7582 -1.5863 -1.5553 -1.4747 -1.4634 -1.4474 -1.4457 -1.3846 -1.3175 -1.2422 -1.2324 -0.5489 -0.4683 1.4936 1.5245 3.2815 3.3285 3.8431 3.8951 4.8392 4.8695 5.0408 5.2034 5.4230 5.5713 5.8119 5.9289 5.9316 5.9852 7.9248 7.9307 8.2842 8.3108 8.3492 8.3901 8.8169 8.8712 k =-0.4359 0.3619 0.5414 ( 3936 PWs) bands (ev): -6.1784 -6.1754 -4.8455 -4.8324 -4.2125 -4.1946 -2.7295 -2.6579 -2.2394 -2.2101 -2.1255 -2.1172 -2.0682 -2.0155 -1.8873 -1.7672 -1.5872 -1.5592 -1.4728 -1.4643 -1.4483 -1.4471 -1.3775 -1.3181 -1.2350 -1.2280 -0.5574 -0.4828 1.5728 1.6051 3.2842 3.3289 3.7014 3.7539 4.8908 4.9213 5.1209 5.2873 5.4700 5.6248 5.8437 5.9589 5.9925 6.0498 8.0142 8.0177 8.2246 8.2544 8.2698 8.2862 8.7828 8.8459 k =-0.4431 0.3448 0.5414 ( 3944 PWs) bands (ev): -6.1882 -6.1855 -4.8149 -4.8013 -4.2557 -4.2378 -2.7181 -2.6530 -2.2419 -2.2153 -2.1279 -2.1202 -2.0571 -2.0102 -1.8840 -1.7765 -1.5878 -1.5628 -1.4709 -1.4649 -1.4507 -1.4473 -1.3705 -1.3187 -1.2286 -1.2238 -0.5651 -0.4969 1.6571 1.6907 3.2846 3.3285 3.5601 3.6148 4.9353 4.9648 5.1974 5.3677 5.5117 5.6729 5.8801 5.9888 6.0610 6.1186 8.0901 8.0944 8.1038 8.1562 8.2281 8.2631 8.7639 8.8358 k =-0.4502 0.3277 0.5414 ( 3912 PWs) bands (ev): -6.1968 -6.1945 -4.7843 -4.7702 -4.2975 -4.2798 -2.7074 -2.6493 -2.2440 -2.2204 -2.1298 -2.1229 -2.0461 -2.0054 -1.8809 -1.7861 -1.5882 -1.5663 -1.4689 -1.4653 -1.4529 -1.4477 -1.3638 -1.3194 -1.2230 -1.2200 -0.5718 -0.5106 1.7466 1.7812 3.2800 3.3275 3.4198 3.4814 4.9729 5.0004 5.2693 5.4436 5.5477 5.7149 5.9197 6.0199 6.1334 6.1906 7.9856 8.0274 8.1592 8.1656 8.2057 8.2438 8.7667 8.8462 k =-0.4573 0.3105 0.5414 ( 3928 PWs) bands (ev): -6.2043 -6.2023 -4.7534 -4.7390 -4.3382 -4.3206 -2.6972 -2.6466 -2.2457 -2.2253 -2.1313 -2.1253 -2.0356 -2.0011 -1.8780 -1.7958 -1.5883 -1.5695 -1.4669 -1.4655 -1.4548 -1.4484 -1.3575 -1.3203 -1.2183 -1.2166 -0.5773 -0.5237 1.8409 1.8764 3.2539 3.2810 3.3261 3.3706 5.0039 5.0286 5.3360 5.5142 5.5772 5.7501 5.9610 6.0507 6.2084 6.2642 7.8718 7.9154 8.1875 8.2025 8.2091 8.2283 8.7973 8.8817 k =-0.4644 0.2934 0.5414 ( 3936 PWs) bands (ev): -6.2107 -6.2089 -4.7223 -4.7075 -4.3777 -4.3603 -2.6879 -2.6451 -2.2469 -2.2297 -2.1323 -2.1274 -2.0256 -1.9973 -1.8749 -1.8057 -1.5882 -1.5725 -1.4656 -1.4649 -1.4566 -1.4493 -1.3518 -1.3213 -1.2143 -1.2136 -0.5814 -0.5358 1.9399 1.9761 3.1442 3.1636 3.3243 3.3257 5.0291 5.0503 5.3970 5.5788 5.5999 5.7779 6.0019 6.0794 6.2845 6.3375 7.7644 7.8073 8.1739 8.2169 8.2232 8.2345 8.8571 8.9431 k =-0.4715 0.2762 0.5414 ( 3944 PWs) bands (ev): -6.2158 -6.2144 -4.6909 -4.6757 -4.4161 -4.3989 -2.6793 -2.6446 -2.2476 -2.2338 -2.1331 -2.1291 -2.0165 -1.9943 -1.8715 -1.8155 -1.5878 -1.5752 -1.4654 -1.4630 -1.4582 -1.4503 -1.3465 -1.3226 -1.2112 -1.2111 -0.5840 -0.5469 2.0434 2.0801 3.0095 3.0397 3.3164 3.3223 5.0491 5.0664 5.4516 5.6153 5.6366 5.7977 6.0405 6.1043 6.3592 6.4077 7.6660 7.7065 8.1652 8.2095 8.2261 8.2441 8.9416 9.0272 k =-0.4786 0.2591 0.5414 ( 3944 PWs) bands (ev): -6.2198 -6.2187 -4.6590 -4.6435 -4.4534 -4.4364 -2.6715 -2.6453 -2.2478 -2.2374 -2.1336 -2.1306 -2.0085 -1.9923 -1.8675 -1.8250 -1.5871 -1.5777 -1.4651 -1.4610 -1.4597 -1.4515 -1.3418 -1.3241 -1.2090 -1.2088 -0.5850 -0.5569 2.1513 2.1883 2.8774 2.9114 3.3141 3.3204 5.0644 5.0775 5.4993 5.6230 5.6870 5.8090 6.0748 6.1237 6.4293 6.4708 7.5809 7.6163 8.1613 8.2063 8.2180 8.2431 9.0439 9.1288 k =-0.4858 0.2420 0.5414 ( 3948 PWs) bands (ev): -6.2226 -6.2219 -4.6266 -4.6108 -4.4898 -4.4730 -2.6647 -2.6471 -2.2474 -2.2405 -2.1337 -2.1317 -2.0019 -1.9913 -1.8627 -1.8341 -1.5862 -1.5799 -1.4646 -1.4610 -1.4592 -1.4528 -1.3376 -1.3259 -1.2075 -1.2072 -0.5844 -0.5654 2.2632 2.3005 2.7481 2.7838 3.3137 3.3185 5.0756 5.0843 5.5398 5.6226 5.7294 5.8114 6.1030 6.1362 6.4899 6.5210 7.5146 7.5417 8.1624 8.2048 8.2069 8.2362 9.1579 9.2431 k =-0.4929 0.2248 0.5414 ( 3948 PWs) bands (ev): -6.2242 -6.2238 -4.5935 -4.5774 -4.5252 -4.5086 -2.6588 -2.6499 -2.2465 -2.2430 -2.1336 -2.1326 -1.9969 -1.9917 -1.8570 -1.8426 -1.5850 -1.5819 -1.4639 -1.4621 -1.4574 -1.4542 -1.3340 -1.3282 -1.2065 -1.2063 -0.5821 -0.5726 2.3791 2.4164 2.6218 2.6583 3.3143 3.3168 5.0830 5.0874 5.5726 5.6141 5.7634 5.8046 6.1240 6.1407 6.5346 6.5516 7.4741 7.4890 8.1681 8.1906 8.2111 8.2271 9.2789 9.3663 k =-0.5000 0.2077 0.5414 ( 3956 PWs) bands (ev): -6.2246 -6.2246 -4.5598 -4.5598 -4.5434 -4.5434 -2.6538 -2.6538 -2.2450 -2.2450 -2.1333 -2.1333 -1.9935 -1.9935 -1.8503 -1.8503 -1.5836 -1.5836 -1.4631 -1.4631 -1.4558 -1.4558 -1.3308 -1.3308 -1.2061 -1.2061 -0.5781 -0.5781 2.4987 2.4987 2.5358 2.5358 3.3153 3.3153 5.0869 5.0869 5.5974 5.5974 5.7885 5.7885 6.1367 6.1367 6.5565 6.5565 7.4651 7.4651 8.1778 8.1778 8.2182 8.2182 9.4021 9.4021 k = 0.0000 0.0000 0.5414 ( 3976 PWs) bands (ev): -6.5163 -6.5163 -4.6633 -4.6633 -3.8799 -3.8799 -2.4897 -2.4897 -2.2515 -2.2515 -2.1575 -2.1575 -2.0398 -2.0398 -1.7578 -1.7578 -1.6132 -1.6132 -1.5357 -1.5357 -1.4791 -1.4791 -1.3528 -1.3528 -1.2677 -1.2677 -0.1899 -0.1899 1.7827 1.7827 2.8655 2.8655 3.9822 3.9822 4.1178 4.1178 4.5285 4.5285 4.9804 4.9804 5.2742 5.2742 5.9178 5.9178 8.0554 8.0554 8.6143 8.6143 8.6577 8.6577 9.8563 9.8563 k = 0.0074 0.0177 0.5414 ( 3984 PWs) bands (ev): -6.5155 -6.5154 -4.6658 -4.6642 -3.8797 -3.8768 -2.4926 -2.4876 -2.2535 -2.2486 -2.1590 -2.1562 -2.0404 -2.0387 -1.7674 -1.7485 -1.6164 -1.6094 -1.5375 -1.5339 -1.4833 -1.4745 -1.3556 -1.3502 -1.2710 -1.2640 -0.1914 -0.1906 1.7832 1.7846 2.8511 2.8579 3.9860 3.9974 4.1163 4.1215 4.5285 4.5331 4.9328 4.9638 5.2880 5.3188 5.9121 5.9136 8.0582 8.0582 8.5365 8.5724 8.7125 8.7425 9.8350 9.8527 k = 0.0147 0.0354 0.5414 ( 3972 PWs) bands (ev): -6.5131 -6.5128 -4.6713 -4.6682 -3.8763 -3.8705 -2.4962 -2.4863 -2.2546 -2.2450 -2.1608 -2.1552 -2.0405 -2.0368 -1.7772 -1.7396 -1.6188 -1.6049 -1.5396 -1.5322 -1.4871 -1.4695 -1.3583 -1.3476 -1.2738 -1.2599 -0.1949 -0.1933 1.7860 1.7887 2.8166 2.8294 4.0047 4.0283 4.1177 4.1303 4.5332 4.5430 4.8519 4.8967 5.3469 5.3908 5.8968 5.8998 8.0665 8.0665 8.4668 8.5052 8.8125 8.8391 9.7916 9.8252 k = 0.0221 0.0531 0.5414 ( 3972 PWs) bands (ev): -6.5090 -6.5086 -4.6799 -4.6754 -3.8698 -3.8612 -2.5006 -2.4859 -2.2549 -2.2407 -2.1627 -2.1546 -2.0403 -2.0343 -1.7872 -1.7311 -1.6206 -1.5998 -1.5417 -1.5306 -1.4904 -1.4644 -1.3611 -1.3452 -1.2761 -1.2553 -0.2006 -0.1982 1.7911 1.7952 2.7660 2.7835 4.0265 4.0619 4.1293 4.1510 4.5427 4.5593 4.7595 4.8107 5.4194 5.4683 5.8724 5.8767 8.0795 8.0797 8.4102 8.4502 8.9203 8.9426 9.7308 9.7775 k = 0.0294 0.0708 0.5414 ( 3976 PWs) bands (ev): -6.5032 -6.5027 -4.6915 -4.6857 -3.8601 -3.8489 -2.5057 -2.4863 -2.2542 -2.2357 -2.1646 -2.1543 -2.0397 -2.0310 -1.7973 -1.7232 -1.6216 -1.5943 -1.5440 -1.5291 -1.4931 -1.4590 -1.3639 -1.3428 -1.2781 -1.2503 -0.2083 -0.2052 1.7985 1.8041 2.7038 2.7246 4.0381 4.0751 4.1669 4.1901 4.5575 4.5831 4.6652 4.7213 5.4912 5.5426 5.8401 5.8453 8.0965 8.0970 8.3684 8.4094 9.0341 9.0514 9.6586 9.7151 k = 0.0368 0.0885 0.5414 ( 3980 PWs) bands (ev): -6.4958 -6.4951 -4.7057 -4.6988 -3.8475 -3.8339 -2.5113 -2.4875 -2.2527 -2.2303 -2.1664 -2.1544 -2.0389 -2.0269 -1.8074 -1.7158 -1.6219 -1.5882 -1.5463 -1.5276 -1.4953 -1.4536 -1.3667 -1.3406 -1.2797 -1.2449 -0.2182 -0.2143 1.8083 1.8152 2.6340 2.6571 4.0361 4.0702 4.2194 4.2420 4.5641 4.5698 4.6267 4.6456 5.5553 5.6086 5.8022 5.8076 8.1161 8.1169 8.3428 8.3840 9.1524 9.1637 9.5808 9.6443 k = 0.0441 0.1062 0.5414 ( 3964 PWs) bands (ev): -6.4867 -6.4859 -4.7225 -4.7146 -3.8321 -3.8163 -2.5176 -2.4895 -2.2505 -2.2246 -2.1682 -2.1548 -2.0380 -2.0221 -1.8175 -1.7092 -1.6217 -1.5818 -1.5485 -1.5262 -1.4968 -1.4480 -1.3694 -1.3385 -1.2810 -1.2391 -0.2303 -0.2257 1.8204 1.8287 2.5598 2.5842 4.0223 4.0548 4.2706 4.2943 4.4776 4.5268 4.6456 4.6756 5.6034 5.6589 5.7648 5.7694 8.1369 8.1379 8.3345 8.3750 9.2733 9.2761 9.5045 9.5709 k = 0.0515 0.1239 0.5414 ( 3972 PWs) bands (ev): -6.4760 -6.4751 -4.7417 -4.7330 -3.8141 -3.7963 -2.5244 -2.4921 -2.2475 -2.2186 -2.1698 -2.1553 -2.0370 -2.0165 -1.8274 -1.7032 -1.6208 -1.5751 -1.5506 -1.5248 -1.4977 -1.4425 -1.3721 -1.3365 -1.2821 -1.2330 -0.2446 -0.2392 1.8349 1.8445 2.4836 2.5088 3.9967 4.0282 4.3139 4.3338 4.3990 4.4640 4.6974 4.7423 5.6163 5.6658 5.7465 5.7582 8.1574 8.1579 8.3444 8.3829 9.3653 9.3904 9.4560 9.5048 k = 0.0588 0.1416 0.5414 ( 3968 PWs) bands (ev): -6.4638 -6.4627 -4.7629 -4.7537 -3.7938 -3.7742 -2.5317 -2.4955 -2.2440 -2.2126 -2.1711 -2.1559 -2.0360 -2.0104 -1.8372 -1.6981 -1.6196 -1.5681 -1.5523 -1.5234 -1.4981 -1.4370 -1.3747 -1.3345 -1.2829 -1.2265 -0.2611 -0.2549 1.8517 1.8627 2.4072 2.4328 3.9576 3.9869 4.3342 4.3396 4.3486 4.4334 4.7700 4.8234 5.5817 5.6213 5.7600 5.7825 8.1744 8.1755 8.3724 8.4074 9.3372 9.4156 9.5320 9.5370 k = 0.0662 0.1593 0.5414 ( 3960 PWs) bands (ev): -6.4499 -6.4487 -4.7862 -4.7765 -3.7712 -3.7500 -2.5394 -2.4994 -2.2399 -2.2068 -2.1722 -2.1563 -2.0350 -2.0036 -1.8468 -1.6938 -1.6181 -1.5609 -1.5535 -1.5222 -1.4980 -1.4315 -1.3772 -1.3326 -1.2837 -1.2198 -0.2798 -0.2729 1.8709 1.8832 2.3320 2.3575 3.9039 3.9291 4.2879 4.3109 4.3739 4.4421 4.8569 4.9151 5.5227 5.5607 5.7829 5.8081 8.1849 8.1891 8.4181 8.4481 9.2842 9.3648 9.6424 9.6535 k = 0.0735 0.1770 0.5414 ( 3964 PWs) bands (ev): -6.4344 -6.4331 -4.8112 -4.8012 -3.7466 -3.7240 -2.5476 -2.5040 -2.2356 -2.2014 -2.1729 -2.1563 -2.0342 -1.9964 -1.8561 -1.6903 -1.6164 -1.5539 -1.5537 -1.5209 -1.4973 -1.4262 -1.3795 -1.3308 -1.2844 -1.2129 -0.3007 -0.2931 1.8924 1.9060 2.2589 2.2843 3.8370 3.8571 4.2567 4.2810 4.3932 4.4593 4.9527 5.0137 5.4535 5.4941 5.8025 5.8268 8.1870 8.1957 8.4802 8.5040 9.2428 9.3228 9.7516 9.7708 k = 0.0809 0.1947 0.5414 ( 3960 PWs) bands (ev): -6.4174 -6.4160 -4.8380 -4.8277 -3.7201 -3.6962 -2.5561 -2.5091 -2.2309 -2.1967 -2.1732 -2.1556 -2.0335 -1.9889 -1.8650 -1.6878 -1.6147 -1.5535 -1.5464 -1.5197 -1.4963 -1.4210 -1.3817 -1.3290 -1.2851 -1.2059 -0.3238 -0.3154 1.9162 1.9311 2.1889 2.2140 3.7601 3.7755 4.2368 4.2587 4.4074 4.4756 5.0534 5.1155 5.3788 5.4243 5.8161 5.8384 8.1791 8.1933 8.5567 8.5739 9.2182 9.2965 9.8546 9.8810 k = 0.0882 0.2124 0.5414 ( 3946 PWs) bands (ev): -6.3989 -6.3973 -4.8662 -4.8558 -3.6920 -3.6669 -2.5651 -2.5147 -2.2261 -2.1929 -2.1731 -2.1538 -2.0330 -1.9811 -1.8735 -1.6863 -1.6128 -1.5522 -1.5392 -1.5184 -1.4948 -1.4160 -1.3838 -1.3272 -1.2859 -1.1987 -0.3491 -0.3400 1.9422 1.9582 2.1227 2.1474 3.6769 3.6885 4.2242 4.2434 4.4173 4.4897 5.1557 5.2161 5.3006 5.3549 5.8240 5.8438 8.1612 8.1812 8.6455 8.6557 9.2122 9.2879 9.9477 9.9786 k = 0.0956 0.2301 0.5414 ( 3952 PWs) bands (ev): -6.3789 -6.3772 -4.8958 -4.8855 -3.6622 -3.6361 -2.5744 -2.5209 -2.2212 -2.1902 -2.1724 -2.1509 -2.0328 -1.9731 -1.8815 -1.6859 -1.6108 -1.5501 -1.5323 -1.5171 -1.4930 -1.4113 -1.3856 -1.3256 -1.2868 -1.1915 -0.3765 -0.3666 1.9697 1.9865 2.0616 2.0863 3.5901 3.5990 4.2164 4.2332 4.4230 4.5014 5.2180 5.2597 5.2635 5.3368 5.8273 5.8445 8.1348 8.1606 8.7438 8.7472 9.2243 9.2971 10.0273 10.0533 k = 0.1029 0.2478 0.5414 ( 3944 PWs) bands (ev): -6.3575 -6.3556 -4.9268 -4.9164 -3.6310 -3.6040 -2.5841 -2.5277 -2.2164 -2.1886 -2.1713 -2.1468 -2.0330 -1.9651 -1.8888 -1.6867 -1.6085 -1.5471 -1.5260 -1.5153 -1.4909 -1.4070 -1.3872 -1.3242 -1.2877 -1.1844 -0.4059 -0.3953 1.9864 2.0035 2.0184 2.0432 3.5018 3.5086 4.2118 4.2268 4.4239 4.5102 5.1378 5.2001 5.3577 5.4272 5.8272 5.8420 8.1029 8.1337 8.8453 8.8487 9.2526 9.3229 10.0812 10.0890 k = 0.1103 0.2655 0.5414 ( 3948 PWs) bands (ev): -6.3346 -6.3326 -4.9589 -4.9487 -3.5985 -3.5707 -2.5942 -2.5350 -2.2118 -2.1876 -2.1695 -2.1419 -2.0335 -1.9571 -1.8955 -1.6886 -1.6058 -1.5434 -1.5212 -1.5122 -1.4885 -1.4030 -1.3885 -1.3231 -1.2885 -1.1774 -0.4373 -0.4258 1.9451 1.9654 2.0405 2.0626 3.4130 3.4183 4.2097 4.2232 4.4192 4.5152 5.0573 5.1314 5.4524 5.5202 5.8251 5.8378 8.0691 8.1039 8.9468 8.9566 9.2946 9.3631 10.0494 10.1177 k = 0.1176 0.2832 0.5414 ( 3962 PWs) bands (ev): -6.3104 -6.3082 -4.9921 -4.9820 -3.5649 -3.5362 -2.6047 -2.5429 -2.2073 -2.1870 -2.1673 -2.1365 -2.0345 -1.9493 -1.9014 -1.6916 -1.6026 -1.5393 -1.5185 -1.5074 -1.4859 -1.3998 -1.3892 -1.3227 -1.2891 -1.1706 -0.4705 -0.4581 1.8986 1.9187 2.0756 2.0981 3.3245 3.3288 4.2095 4.2220 4.4077 4.5145 4.9796 5.0660 5.5408 5.6068 5.8225 5.8336 8.0369 8.0744 9.0480 9.0638 9.3477 9.4154 9.9933 10.0803 k = 0.1250 0.3009 0.5414 ( 3958 PWs) bands (ev): -6.2848 -6.2824 -5.0264 -5.0165 -3.5301 -3.5007 -2.6157 -2.5515 -2.2030 -2.1865 -2.1644 -2.1308 -2.0361 -1.9416 -1.9066 -1.6957 -1.5988 -1.5347 -1.5170 -1.5016 -1.4832 -1.3978 -1.3889 -1.3232 -1.2889 -1.1640 -0.5054 -0.4919 1.8567 1.8762 2.1140 2.1373 3.2370 3.2403 4.2109 4.2229 4.3881 4.5053 4.9082 5.0062 5.6204 5.6836 5.8212 5.8317 8.0097 8.0485 9.1443 9.1655 9.4091 9.4778 9.9319 10.0208 k = 0.1324 0.3186 0.5414 ( 3966 PWs) bands (ev): -6.2579 -6.2554 -5.0616 -5.0518 -3.4945 -3.4644 -2.6271 -2.5608 -2.1989 -2.1858 -2.1612 -2.1250 -2.0381 -1.9341 -1.9109 -1.7008 -1.5945 -1.5298 -1.5160 -1.4956 -1.4803 -1.3971 -1.3875 -1.3250 -1.2879 -1.1577 -0.5416 -0.5270 1.8203 1.8390 2.1550 2.1793 3.1506 3.1530 4.2136 4.2258 4.3592 4.4837 4.8471 4.9538 5.6878 5.7443 5.8239 5.8372 7.9903 8.0290 9.2308 9.2564 9.4761 9.5485 9.8702 9.9615 k = 0.1397 0.3363 0.5414 ( 3974 PWs) bands (ev): -6.2297 -6.2270 -5.0976 -5.0881 -3.4581 -3.4273 -2.6390 -2.5708 -2.1950 -2.1849 -2.1575 -2.1193 -2.0407 -1.9269 -1.9143 -1.7067 -1.5897 -1.5248 -1.5151 -1.4897 -1.4773 -1.3974 -1.3855 -1.3282 -1.2857 -1.1518 -0.5791 -0.5631 1.7896 1.8074 2.1987 2.2238 3.0656 3.0671 4.2165 4.2305 4.3214 4.4457 4.8003 4.9098 5.7367 5.7778 5.8366 5.8608 7.9809 8.0182 9.3021 9.3309 9.5446 9.6259 9.8102 9.9082 k = 0.1471 0.3540 0.5414 ( 3966 PWs) bands (ev): -6.2004 -6.1975 -5.1345 -5.1252 -3.4211 -3.3895 -2.6515 -2.5816 -2.1912 -2.1835 -2.1536 -2.1137 -2.0438 -1.9200 -1.9169 -1.7134 -1.5845 -1.5197 -1.5141 -1.4841 -1.4743 -1.3979 -1.3835 -1.3328 -1.2824 -1.1462 -0.6175 -0.6000 1.7648 1.7817 2.2448 2.2707 2.9822 2.9828 4.2140 4.2371 4.2804 4.3910 4.7685 4.8740 5.7621 5.7883 5.8636 5.8978 7.9831 8.0177 9.3537 9.3844 9.6064 9.7088 9.7528 9.8693 k = 0.1544 0.3717 0.5414 ( 3958 PWs) bands (ev): -6.1698 -6.1668 -5.1720 -5.1630 -3.3835 -3.3513 -2.6646 -2.5933 -2.1874 -2.1817 -2.1495 -2.1085 -2.0474 -1.9187 -1.9134 -1.7207 -1.5788 -1.5145 -1.5132 -1.4788 -1.4713 -1.3987 -1.3817 -1.3385 -1.2780 -1.1411 -0.6567 -0.6373 1.7460 1.7619 2.2934 2.3198 2.9001 2.9007 4.1837 4.2449 4.2601 4.3230 4.7485 4.8454 5.7723 5.7917 5.8966 5.9322 7.9977 8.0287 9.3831 9.4151 9.6418 9.6987 9.7961 9.8639 k = 0.1618 0.3894 0.5414 ( 3950 PWs) bands (ev): -6.1382 -6.1349 -5.2102 -5.2014 -3.3457 -3.3126 -2.6784 -2.6060 -2.1836 -2.1792 -2.1454 -2.1037 -2.0515 -1.9197 -1.9071 -1.7286 -1.5728 -1.5120 -1.5094 -1.4738 -1.4685 -1.3994 -1.3802 -1.3454 -1.2726 -1.1363 -0.6962 -0.6747 1.7332 1.7481 2.3443 2.3707 2.8191 2.8215 4.1235 4.2365 4.2641 4.2641 4.7360 4.8222 5.7773 5.7940 5.9259 5.9584 8.0250 8.0516 9.3913 9.4245 9.6351 9.6482 9.8866 9.9074 k = 0.1691 0.4071 0.5414 ( 3938 PWs) bands (ev): -6.1055 -6.1021 -5.2490 -5.2404 -3.3076 -3.2738 -2.6929 -2.6197 -2.1797 -2.1762 -2.1413 -2.0995 -2.0559 -1.9201 -1.9010 -1.7369 -1.5664 -1.5105 -1.5043 -1.4692 -1.4658 -1.4002 -1.3792 -1.3532 -1.2662 -1.1320 -0.7359 -0.7117 1.7263 1.7402 2.3973 2.4226 2.7403 2.7454 4.0518 4.1579 4.2715 4.2760 4.7272 4.8025 5.7811 5.7969 5.9481 5.9757 8.0644 8.0862 9.3821 9.4167 9.6011 9.6036 9.9781 9.9814 k = 0.1765 0.4248 0.5414 ( 3940 PWs) bands (ev): -6.0718 -6.0682 -5.2882 -5.2800 -3.2696 -3.2349 -2.7082 -2.6344 -2.1757 -2.1726 -2.1373 -2.0959 -2.0606 -1.9199 -1.8953 -1.7457 -1.5597 -1.5087 -1.4993 -1.4650 -1.4633 -1.4010 -1.3787 -1.3618 -1.2586 -1.1280 -0.7754 -0.7480 1.7253 1.7382 2.4516 2.4728 2.6643 2.6754 3.9745 4.0713 4.2857 4.2916 4.7197 4.7847 5.7850 5.8008 5.9628 5.9848 8.1147 8.1316 9.3603 9.3962 9.5571 9.5650 10.0534 10.0622 k = 0.1838 0.4425 0.5414 ( 3926 PWs) bands (ev): -6.0371 -6.0333 -5.3279 -5.3199 -3.2317 -3.1961 -2.7244 -2.6504 -2.1716 -2.1683 -2.1335 -2.0930 -2.0655 -1.9193 -1.8897 -1.7547 -1.5526 -1.5065 -1.4945 -1.4612 -1.4611 -1.4019 -1.3787 -1.3710 -1.2500 -1.1243 -0.8144 -0.7830 1.7301 1.7420 2.5019 2.5063 2.5966 2.6263 3.8936 3.9826 4.3020 4.3100 4.7120 4.7674 5.7894 5.8058 5.9708 5.9869 8.1748 8.1870 9.3305 9.3670 9.5161 9.5262 10.0112 10.0534 k = 0.1912 0.4602 0.5414 ( 3922 PWs) bands (ev): -6.0016 -5.9976 -5.3680 -5.3603 -3.1941 -3.1577 -2.7417 -2.6675 -2.1675 -2.1633 -2.1299 -2.0910 -2.0706 -1.9183 -1.8842 -1.7640 -1.5452 -1.5038 -1.4898 -1.4592 -1.4580 -1.4029 -1.3808 -1.3791 -1.2401 -1.1210 -0.8527 -0.8164 1.7405 1.7516 2.4822 2.4949 2.5907 2.6392 3.8107 3.8930 4.3202 4.3308 4.7032 4.7497 5.7944 5.8120 5.9734 5.9836 8.2429 8.2508 9.2963 9.3321 9.4781 9.4900 9.9260 9.9701 k = 0.1985 0.4779 0.5414 ( 3930 PWs) bands (ev): -5.9652 -5.9610 -5.4084 -5.4009 -3.1571 -3.1198 -2.7600 -2.6860 -2.1633 -2.1578 -2.1266 -2.0899 -2.0757 -1.9172 -1.8788 -1.7734 -1.5375 -1.5005 -1.4854 -1.4577 -1.4553 -1.4041 -1.3910 -1.3799 -1.2289 -1.1178 -0.8899 -0.8476 1.7565 1.7666 2.4233 2.4311 2.6459 2.6916 3.7266 3.8033 4.3398 4.3538 4.6929 4.7308 5.7999 5.8192 5.9719 5.9763 8.3176 8.3217 9.2595 9.2932 9.4435 9.4578 9.8359 9.8809 k = 0.2059 0.4956 0.5414 ( 3930 PWs) bands (ev): -5.9281 -5.9237 -5.4490 -5.4418 -3.1207 -3.0827 -2.7795 -2.7056 -2.1592 -2.1517 -2.1235 -2.0898 -2.0809 -1.9159 -1.8733 -1.7829 -1.5295 -1.4966 -1.4814 -1.4566 -1.4532 -1.4054 -1.4015 -1.3810 -1.2163 -1.1149 -0.9258 -0.8762 1.7778 1.7869 2.3586 2.3633 2.7097 2.7542 3.6420 3.7141 4.3606 4.3787 4.6809 4.7103 5.8058 5.8274 5.9662 5.9675 8.3973 8.3982 9.2210 9.2514 9.4132 9.4306 9.7459 9.7922 k = 0.2132 0.5133 0.5414 ( 3920 PWs) bands (ev): -5.8903 -5.8857 -5.4898 -5.4828 -3.0852 -3.0466 -2.8002 -2.7265 -2.1552 -2.1452 -2.1207 -2.0909 -2.0859 -1.9146 -1.8677 -1.7922 -1.5211 -1.4923 -1.4777 -1.4559 -1.4518 -1.4120 -1.4070 -1.3823 -1.2022 -1.1121 -0.9603 -0.9017 1.8042 1.8123 2.2942 2.2969 2.7769 2.8213 3.5574 3.6256 4.3820 4.4053 4.6673 4.6880 5.8118 5.8363 5.9544 5.9614 8.4789 8.4806 9.1808 9.2065 9.3878 9.4092 9.6592 9.7070 k = 0.2206 0.5310 0.5414 ( 3932 PWs) bands (ev): -5.8519 -5.8471 -5.5306 -5.5239 -3.0507 -3.0119 -2.8222 -2.7484 -2.1513 -2.1383 -2.1181 -2.0930 -2.0908 -1.9134 -1.8619 -1.8014 -1.5125 -1.4875 -1.4745 -1.4555 -1.4513 -1.4224 -1.4086 -1.3835 -1.1865 -1.1095 -0.9930 -0.9235 1.8354 1.8426 2.2315 2.2326 2.8467 2.8914 3.4733 3.5383 4.4034 4.4333 4.6525 4.6638 5.8176 5.8460 5.9417 5.9547 8.5625 8.5662 9.1374 9.1580 9.3684 9.3943 9.5786 9.6280 k = 0.2279 0.5487 0.5414 ( 3936 PWs) bands (ev): -5.8130 -5.8079 -5.5715 -5.5651 -3.0173 -2.9793 -2.8457 -2.7709 -2.1479 -2.1313 -2.1158 -2.0963 -2.0954 -1.9124 -1.8558 -1.8103 -1.5037 -1.4824 -1.4722 -1.4555 -1.4517 -1.4324 -1.4102 -1.3847 -1.1690 -1.1071 -1.0240 -0.9414 1.8713 1.8776 2.1709 2.1712 2.9188 2.9639 3.3899 3.4525 4.4237 4.4623 4.6375 4.6378 5.8228 5.8563 5.9286 5.9483 8.6474 8.6526 9.0891 9.1043 9.3559 9.3868 9.5074 9.5578 k = 0.2353 0.5664 0.5414 ( 3932 PWs) bands (ev): -5.7735 -5.7682 -5.6123 -5.6061 -2.9852 -2.9500 -2.8706 -2.7929 -2.1451 -2.1242 -2.1136 -2.1005 -2.0996 -1.9116 -1.8493 -1.8189 -1.4949 -1.4776 -1.4714 -1.4554 -1.4530 -1.4413 -1.4116 -1.3856 -1.1497 -1.1052 -1.0530 -0.9546 1.9117 1.9170 2.1122 2.1136 2.9929 3.0381 3.3076 3.3688 4.4414 4.4921 4.6103 4.6236 5.8271 5.8671 5.9156 5.9429 8.7321 8.7386 9.0336 9.0441 9.3515 9.3877 9.4487 9.4988 k = 0.2426 0.5841 0.5414 ( 3924 PWs) bands (ev): -5.7336 -5.7281 -5.6530 -5.6470 -2.9544 -2.9270 -2.8970 -2.8114 -2.1432 -2.1173 -2.1116 -2.1057 -2.1030 -1.9111 -1.8425 -1.8271 -1.4863 -1.4738 -1.4732 -1.4546 -1.4546 -1.4483 -1.4124 -1.3861 -1.1286 -1.1039 -1.0801 -0.9628 1.9562 1.9604 2.0567 2.0593 3.0690 3.1120 3.2266 3.2891 4.4540 4.5222 4.5816 4.6134 5.8299 5.8785 5.9029 5.9394 8.8141 8.8224 8.9702 8.9767 9.3564 9.3981 9.4047 9.4525 k = 0.2500 0.6018 0.5414 ( 3924 PWs) bands (ev): -5.6941 -5.6927 -5.6878 -5.6877 -2.9251 -2.9248 -2.9173 -2.8196 -2.1426 -2.1116 -2.1108 -2.1107 -2.1043 -1.9109 -1.8353 -1.8347 -1.4789 -1.4785 -1.4723 -1.4554 -1.4529 -1.4522 -1.4126 -1.3863 -1.1055 -1.1051 -1.1034 -0.9656 2.0036 2.0046 2.0046 2.0124 3.1469 3.1471 3.1633 3.2359 4.4586 4.5520 4.5523 4.6095 5.8309 5.8904 5.8905 5.9381 8.8768 8.9023 8.9023 8.9138 9.3672 9.3806 9.4191 9.4193 Writing output data file CdAs2.save init_run : 4.48s CPU 12.05s WALL ( 1 calls) electrons : 638.06s CPU 645.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 638.00s CPU 645.54s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.07s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.67s WALL ( 1 calls) newd : 0.66s CPU 0.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.14s WALL ( 282 calls) cegterg : 569.88s CPU 573.66s WALL ( 631 calls) Called by sum_band: Called by *egterg: h_psi : 244.44s CPU 251.34s WALL ( 11655 calls) s_psi : 20.53s CPU 21.01s WALL ( 11655 calls) g_psi : 0.63s CPU 0.61s WALL ( 10742 calls) cdiaghg : 227.65s CPU 225.58s WALL ( 11024 calls) cegterg:over : 48.91s CPU 45.72s WALL ( 10742 calls) cegterg:upda : 9.54s CPU 12.75s WALL ( 10742 calls) cegterg:last : 8.32s CPU 8.98s WALL ( 1759 calls) Called by h_psi: h_psi:vloc : 198.27s CPU 203.96s WALL ( 11655 calls) h_psi:vnl : 45.90s CPU 46.71s WALL ( 11655 calls) add_vuspsi : 13.21s CPU 16.84s WALL ( 11655 calls) General routines calbec : 32.66s CPU 29.71s WALL ( 11655 calls) fft : 0.26s CPU 1.21s WALL ( 19 calls) ffts : 0.01s CPU 0.04s WALL ( 4 calls) fftw : 165.09s CPU 166.51s WALL ( 1112392 calls) interpolate : 0.03s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 2.37s WALL ( 564 calls) Parallel routines fft_scatter : 100.33s CPU 101.78s WALL ( 1112415 calls) PWSCF : 11m38.51s CPU 12m56.03s WALL This run was terminated on: 11:21: 1 23Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=