Program PWSCF v.5.1.1 starts on 28Oct2015 at 1:59:53 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: ./Al2CdS4.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 149 37 10 5971 742 114 Max 150 38 11 5975 760 118 Sum 7199 1811 509 286757 35967 5537 bravais-lattice index = 14 lattice parameter (alat) = 12.0943 a.u. unit-cell volume = 1051.6231 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.094278 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.623615 celldm(5)= -0.623615 celldm(6)= 0.247231 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.247231 0.968957 0.000000 ) a(3) = ( -0.623615 -0.484478 0.613502 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.255152 0.814993 ) b(2) = ( 0.000000 1.032038 0.814993 ) b(3) = ( 0.000000 0.000000 1.629987 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 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. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Cd 12.00 112.41100 Cd( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0198779), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0397558), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0596337), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0795116), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.0993894), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.1192673), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.1391452), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.1590231), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.1789010), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.1987789), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.2186568), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.2385346), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.2584125), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.2782904), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.2981683), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.3180462), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.3379241), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.3578020), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.3776799), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.3975578), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.4174356), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.4373135), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.4571914), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.4770693), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.4969472), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.5168251), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.5367030), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.5565808), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.5764587), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.5963366), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.6162145), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.6360924), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.6559703), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.6758482), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.6957261), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.7156040), wk = 0.0035088 k( 38) = ( 0.0000000 0.0000000 0.7354818), wk = 0.0035088 k( 39) = ( 0.0000000 0.0000000 0.7553597), wk = 0.0035088 k( 40) = ( 0.0000000 0.0000000 0.7752376), wk = 0.0035088 k( 41) = ( 0.0000000 0.0000000 0.7951155), wk = 0.0035088 k( 42) = ( 0.0000000 0.0000000 0.8149934), wk = 0.0035088 k( 43) = ( 0.0000000 0.0000000 0.8149934), wk = 0.0035088 k( 44) = ( -0.0116068 0.0149401 0.8149934), wk = 0.0035088 k( 45) = ( -0.0232135 0.0298802 0.8149934), wk = 0.0035088 k( 46) = ( -0.0348203 0.0448204 0.8149934), wk = 0.0035088 k( 47) = ( -0.0464271 0.0597605 0.8149934), wk = 0.0035088 k( 48) = ( -0.0580339 0.0747006 0.8149934), wk = 0.0035088 k( 49) = ( -0.0696407 0.0896407 0.8149934), wk = 0.0035088 k( 50) = ( -0.0812474 0.1045809 0.8149934), wk = 0.0035088 k( 51) = ( -0.0928542 0.1195210 0.8149934), wk = 0.0035088 k( 52) = ( -0.1044610 0.1344611 0.8149934), wk = 0.0035088 k( 53) = ( -0.1160678 0.1494012 0.8149934), wk = 0.0035088 k( 54) = ( -0.1276745 0.1643413 0.8149934), wk = 0.0035088 k( 55) = ( -0.1392813 0.1792815 0.8149934), wk = 0.0035088 k( 56) = ( -0.1508881 0.1942216 0.8149934), wk = 0.0035088 k( 57) = ( -0.1508881 0.1942216 0.8149934), wk = 0.0035088 k( 58) = ( -0.1596159 0.2054559 0.8007672), wk = 0.0035088 k( 59) = ( -0.1683437 0.2166902 0.7865410), wk = 0.0035088 k( 60) = ( -0.1770715 0.2279246 0.7723148), wk = 0.0035088 k( 61) = ( -0.1857993 0.2391589 0.7580886), wk = 0.0035088 k( 62) = ( -0.1945271 0.2503932 0.7438624), wk = 0.0035088 k( 63) = ( -0.2032549 0.2616276 0.7296362), wk = 0.0035088 k( 64) = ( -0.2119827 0.2728619 0.7154100), wk = 0.0035088 k( 65) = ( -0.2207105 0.2840962 0.7011838), wk = 0.0035088 k( 66) = ( -0.2294383 0.2953306 0.6869576), wk = 0.0035088 k( 67) = ( -0.2381661 0.3065649 0.6727315), wk = 0.0035088 k( 68) = ( -0.2468939 0.3177992 0.6585053), wk = 0.0035088 k( 69) = ( -0.2556217 0.3290335 0.6442791), wk = 0.0035088 k( 70) = ( -0.2643495 0.3402679 0.6300529), wk = 0.0035088 k( 71) = ( -0.2730773 0.3515022 0.6158267), wk = 0.0035088 k( 72) = ( -0.2818051 0.3627365 0.6016005), wk = 0.0035088 k( 73) = ( -0.2905329 0.3739709 0.5873743), wk = 0.0035088 k( 74) = ( -0.2992607 0.3852052 0.5731481), wk = 0.0035088 k( 75) = ( -0.3079885 0.3964395 0.5589219), wk = 0.0035088 k( 76) = ( -0.3167163 0.4076739 0.5446957), wk = 0.0035088 k( 77) = ( -0.3254440 0.4189082 0.5304695), wk = 0.0035088 k( 78) = ( -0.3254440 0.4189082 0.5304695), wk = 0.0035088 k( 79) = ( -0.3166483 0.4075863 0.5161325), wk = 0.0035088 k( 80) = ( -0.3078525 0.3962645 0.5017955), wk = 0.0035088 k( 81) = ( -0.2990567 0.3849427 0.4874585), wk = 0.0035088 k( 82) = ( -0.2902609 0.3736208 0.4731214), wk = 0.0035088 k( 83) = ( -0.2814651 0.3622990 0.4587844), wk = 0.0035088 k( 84) = ( -0.2726693 0.3509771 0.4444474), wk = 0.0035088 k( 85) = ( -0.2638736 0.3396553 0.4301104), wk = 0.0035088 k( 86) = ( -0.2550778 0.3283334 0.4157734), wk = 0.0035088 k( 87) = ( -0.2462820 0.3170116 0.4014364), wk = 0.0035088 k( 88) = ( -0.2374862 0.3056898 0.3870994), wk = 0.0035088 k( 89) = ( -0.2286904 0.2943679 0.3727624), wk = 0.0035088 k( 90) = ( -0.2198946 0.2830461 0.3584253), wk = 0.0035088 k( 91) = ( -0.2110989 0.2717242 0.3440883), wk = 0.0035088 k( 92) = ( -0.2023031 0.2604024 0.3297513), wk = 0.0035088 k( 93) = ( -0.1935073 0.2490805 0.3154143), wk = 0.0035088 k( 94) = ( -0.1847115 0.2377587 0.3010773), wk = 0.0035088 k( 95) = ( -0.1759157 0.2264368 0.2867403), wk = 0.0035088 k( 96) = ( -0.1671199 0.2151150 0.2724033), wk = 0.0035088 k( 97) = ( -0.1583241 0.2037932 0.2580662), wk = 0.0035088 k( 98) = ( -0.1495284 0.1924713 0.2437292), wk = 0.0035088 k( 99) = ( -0.1407326 0.1811495 0.2293922), wk = 0.0035088 k( 100) = ( -0.1319368 0.1698276 0.2150552), wk = 0.0035088 k( 101) = ( -0.1231410 0.1585058 0.2007182), wk = 0.0035088 k( 102) = ( -0.1143452 0.1471840 0.1863812), wk = 0.0035088 k( 103) = ( -0.1055494 0.1358621 0.1720442), wk = 0.0035088 k( 104) = ( -0.0967536 0.1245403 0.1577072), wk = 0.0035088 k( 105) = ( -0.0879579 0.1132184 0.1433701), wk = 0.0035088 k( 106) = ( -0.0791621 0.1018966 0.1290331), wk = 0.0035088 k( 107) = ( -0.0703663 0.0905747 0.1146961), wk = 0.0035088 k( 108) = ( -0.0615705 0.0792529 0.1003591), wk = 0.0035088 k( 109) = ( -0.0527747 0.0679311 0.0860221), wk = 0.0035088 k( 110) = ( -0.0439789 0.0566092 0.0716851), wk = 0.0035088 k( 111) = ( -0.0351831 0.0452874 0.0573481), wk = 0.0035088 k( 112) = ( -0.0263874 0.0339655 0.0430110), wk = 0.0035088 k( 113) = ( -0.0175916 0.0226437 0.0286740), wk = 0.0035088 k( 114) = ( -0.0087958 0.0113218 0.0143370), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 117) = ( 0.0156250 0.0121388 -0.0000000), wk = 0.0035088 k( 118) = ( 0.0312500 0.0242777 -0.0000000), wk = 0.0035088 k( 119) = ( 0.0468750 0.0364165 -0.0000000), wk = 0.0035088 k( 120) = ( 0.0625000 0.0485554 -0.0000000), wk = 0.0035088 k( 121) = ( 0.0781250 0.0606942 -0.0000000), wk = 0.0035088 k( 122) = ( 0.0937500 0.0728331 -0.0000000), wk = 0.0035088 k( 123) = ( 0.1093750 0.0849719 0.0000000), wk = 0.0035088 k( 124) = ( 0.1250000 0.0971108 -0.0000000), wk = 0.0035088 k( 125) = ( 0.1406250 0.1092496 0.0000000), wk = 0.0035088 k( 126) = ( 0.1562500 0.1213885 -0.0000000), wk = 0.0035088 k( 127) = ( 0.1718750 0.1335273 0.0000000), wk = 0.0035088 k( 128) = ( 0.1875000 0.1456662 -0.0000000), wk = 0.0035088 k( 129) = ( 0.2031250 0.1578050 0.0000000), wk = 0.0035088 k( 130) = ( 0.2187500 0.1699439 0.0000000), wk = 0.0035088 k( 131) = ( 0.2343750 0.1820827 0.0000000), wk = 0.0035088 k( 132) = ( 0.2500000 0.1942216 -0.0000000), wk = 0.0035088 k( 133) = ( 0.2656250 0.2063604 -0.0000000), wk = 0.0035088 k( 134) = ( 0.2812500 0.2184993 0.0000000), wk = 0.0035088 k( 135) = ( 0.2968750 0.2306381 -0.0000000), wk = 0.0035088 k( 136) = ( 0.3125000 0.2427770 -0.0000000), wk = 0.0035088 k( 137) = ( 0.3281250 0.2549158 0.0000000), wk = 0.0035088 k( 138) = ( 0.3437500 0.2670547 0.0000000), wk = 0.0035088 k( 139) = ( 0.3593750 0.2791935 0.0000000), wk = 0.0035088 k( 140) = ( 0.3750000 0.2913324 -0.0000000), wk = 0.0035088 k( 141) = ( 0.3906250 0.3034712 0.0000000), wk = 0.0035088 k( 142) = ( 0.4062500 0.3156101 0.0000000), wk = 0.0035088 k( 143) = ( 0.4218750 0.3277489 -0.0000000), wk = 0.0035088 k( 144) = ( 0.4375000 0.3398878 0.0000000), wk = 0.0035088 k( 145) = ( 0.4531250 0.3520266 -0.0000000), wk = 0.0035088 k( 146) = ( 0.4687500 0.3641655 0.0000000), wk = 0.0035088 k( 147) = ( 0.4843750 0.3763043 0.0000000), wk = 0.0035088 k( 148) = ( 0.5000000 0.3884432 -0.0000000), wk = 0.0035088 k( 149) = ( 0.5000000 0.3884432 -0.0000000), wk = 0.0035088 k( 150) = ( 0.4912722 0.3996775 0.0142262), wk = 0.0035088 k( 151) = ( 0.4825444 0.4109118 0.0284524), wk = 0.0035088 k( 152) = ( 0.4738166 0.4221462 0.0426786), wk = 0.0035088 k( 153) = ( 0.4650888 0.4333805 0.0569048), wk = 0.0035088 k( 154) = ( 0.4563610 0.4446148 0.0711310), wk = 0.0035088 k( 155) = ( 0.4476332 0.4558492 0.0853572), wk = 0.0035088 k( 156) = ( 0.4389054 0.4670835 0.0995834), wk = 0.0035088 k( 157) = ( 0.4301776 0.4783178 0.1138096), wk = 0.0035088 k( 158) = ( 0.4214498 0.4895522 0.1280358), wk = 0.0035088 k( 159) = ( 0.4127220 0.5007865 0.1422619), wk = 0.0035088 k( 160) = ( 0.4039942 0.5120208 0.1564881), wk = 0.0035088 k( 161) = ( 0.3952664 0.5232551 0.1707143), wk = 0.0035088 k( 162) = ( 0.3865386 0.5344895 0.1849405), wk = 0.0035088 k( 163) = ( 0.3778108 0.5457238 0.1991667), wk = 0.0035088 k( 164) = ( 0.3690830 0.5569581 0.2133929), wk = 0.0035088 k( 165) = ( 0.3603552 0.5681925 0.2276191), wk = 0.0035088 k( 166) = ( 0.3516275 0.5794268 0.2418453), wk = 0.0035088 k( 167) = ( 0.3428997 0.5906611 0.2560715), wk = 0.0035088 k( 168) = ( 0.3341718 0.6018954 0.2702977), wk = 0.0035088 k( 169) = ( 0.3254440 0.6131298 0.2845239), wk = 0.0035088 k( 170) = ( 0.3254440 0.6131298 0.2845239), wk = 0.0035088 k( 171) = ( 0.3073638 0.6077347 0.2913557), wk = 0.0035088 k( 172) = ( 0.2892836 0.6023397 0.2981875), wk = 0.0035088 k( 173) = ( 0.2712034 0.5969446 0.3050194), wk = 0.0035088 k( 174) = ( 0.2531232 0.5915496 0.3118512), wk = 0.0035088 k( 175) = ( 0.2350429 0.5861545 0.3186830), wk = 0.0035088 k( 176) = ( 0.2169627 0.5807595 0.3255148), wk = 0.0035088 k( 177) = ( 0.1988825 0.5753645 0.3323466), wk = 0.0035088 k( 178) = ( 0.1808022 0.5699694 0.3391785), wk = 0.0035088 k( 179) = ( 0.1627220 0.5645744 0.3460103), wk = 0.0035088 k( 180) = ( 0.1446418 0.5591793 0.3528421), wk = 0.0035088 k( 181) = ( 0.1265616 0.5537843 0.3596739), wk = 0.0035088 k( 182) = ( 0.1084814 0.5483892 0.3665058), wk = 0.0035088 k( 183) = ( 0.0904011 0.5429942 0.3733376), wk = 0.0035088 k( 184) = ( 0.0723209 0.5375992 0.3801694), wk = 0.0035088 k( 185) = ( 0.0542407 0.5322041 0.3870012), wk = 0.0035088 k( 186) = ( 0.0361604 0.5268091 0.3938331), wk = 0.0035088 k( 187) = ( 0.0180802 0.5214140 0.4006649), wk = 0.0035088 k( 188) = ( 0.0000000 0.5160190 0.4074967), wk = 0.0035088 k( 189) = ( 0.0000000 0.5160190 0.4074967), wk = 0.0035088 k( 190) = ( 0.0086207 0.5049225 0.4215483), wk = 0.0035088 k( 191) = ( 0.0172414 0.4938261 0.4355999), wk = 0.0035088 k( 192) = ( 0.0258621 0.4827296 0.4496515), wk = 0.0035088 k( 193) = ( 0.0344828 0.4716331 0.4637031), wk = 0.0035088 k( 194) = ( 0.0431035 0.4605367 0.4777547), wk = 0.0035088 k( 195) = ( 0.0517241 0.4494402 0.4918064), wk = 0.0035088 k( 196) = ( 0.0603448 0.4383437 0.5058580), wk = 0.0035088 k( 197) = ( 0.0689655 0.4272473 0.5199096), wk = 0.0035088 k( 198) = ( 0.0775862 0.4161508 0.5339612), wk = 0.0035088 k( 199) = ( 0.0862069 0.4050544 0.5480128), wk = 0.0035088 k( 200) = ( 0.0948276 0.3939579 0.5620644), wk = 0.0035088 k( 201) = ( 0.1034483 0.3828614 0.5761160), wk = 0.0035088 k( 202) = ( 0.1120690 0.3717650 0.5901676), wk = 0.0035088 k( 203) = ( 0.1206897 0.3606685 0.6042192), wk = 0.0035088 k( 204) = ( 0.1293103 0.3495721 0.6182708), wk = 0.0035088 k( 205) = ( 0.1379310 0.3384756 0.6323225), wk = 0.0035088 k( 206) = ( 0.1465517 0.3273791 0.6463741), wk = 0.0035088 k( 207) = ( 0.1551724 0.3162827 0.6604257), wk = 0.0035088 k( 208) = ( 0.1637931 0.3051862 0.6744773), wk = 0.0035088 k( 209) = ( 0.1724138 0.2940897 0.6885289), wk = 0.0035088 k( 210) = ( 0.1810345 0.2829933 0.7025805), wk = 0.0035088 k( 211) = ( 0.1896552 0.2718968 0.7166321), wk = 0.0035088 k( 212) = ( 0.1982759 0.2608004 0.7306837), wk = 0.0035088 k( 213) = ( 0.2068966 0.2497039 0.7447353), wk = 0.0035088 k( 214) = ( 0.2155172 0.2386074 0.7587869), wk = 0.0035088 k( 215) = ( 0.2241379 0.2275110 0.7728386), wk = 0.0035088 k( 216) = ( 0.2327586 0.2164145 0.7868902), wk = 0.0035088 k( 217) = ( 0.2413793 0.2053181 0.8009418), wk = 0.0035088 k( 218) = ( 0.2500000 0.1942216 0.8149934), wk = 0.0035088 k( 219) = ( 0.2500000 0.1942216 0.8149934), wk = 0.0035088 k( 220) = ( 0.2625000 0.2039327 0.8026961), wk = 0.0035088 k( 221) = ( 0.2750000 0.2136438 0.7903988), wk = 0.0035088 k( 222) = ( 0.2875000 0.2233548 0.7781015), wk = 0.0035088 k( 223) = ( 0.3000000 0.2330659 0.7658043), wk = 0.0035088 k( 224) = ( 0.3125000 0.2427770 0.7535070), wk = 0.0035088 k( 225) = ( 0.3250000 0.2524881 0.7412097), wk = 0.0035088 k( 226) = ( 0.3375000 0.2621991 0.7289124), wk = 0.0035088 k( 227) = ( 0.3500000 0.2719102 0.7166151), wk = 0.0035088 k( 228) = ( 0.3625000 0.2816213 0.7043179), wk = 0.0035088 k( 229) = ( 0.3750000 0.2913324 0.6920206), wk = 0.0035088 k( 230) = ( 0.3875000 0.3010435 0.6797233), wk = 0.0035088 k( 231) = ( 0.4000000 0.3107545 0.6674260), wk = 0.0035088 k( 232) = ( 0.4125000 0.3204656 0.6551287), wk = 0.0035088 k( 233) = ( 0.4250000 0.3301767 0.6428315), wk = 0.0035088 k( 234) = ( 0.4375000 0.3398878 0.6305342), wk = 0.0035088 k( 235) = ( 0.4500000 0.3495989 0.6182369), wk = 0.0035088 k( 236) = ( 0.4625000 0.3593099 0.6059396), wk = 0.0035088 k( 237) = ( 0.4750000 0.3690210 0.5936423), wk = 0.0035088 k( 238) = ( 0.4875000 0.3787321 0.5813451), wk = 0.0035088 k( 239) = ( 0.5000000 0.3884432 0.5690478), wk = 0.0035088 k( 240) = ( 0.5000000 0.3884432 0.5690478), wk = 0.0035088 k( 241) = ( 0.5000000 0.3884432 0.5487246), wk = 0.0035088 k( 242) = ( 0.5000000 0.3884432 0.5284015), wk = 0.0035088 k( 243) = ( 0.5000000 0.3884432 0.5080784), wk = 0.0035088 k( 244) = ( 0.5000000 0.3884432 0.4877552), wk = 0.0035088 k( 245) = ( 0.5000000 0.3884432 0.4674321), wk = 0.0035088 k( 246) = ( 0.5000000 0.3884432 0.4471090), wk = 0.0035088 k( 247) = ( 0.5000000 0.3884432 0.4267858), wk = 0.0035088 k( 248) = ( 0.5000000 0.3884432 0.4064627), wk = 0.0035088 k( 249) = ( 0.5000000 0.3884432 0.3861396), wk = 0.0035088 k( 250) = ( 0.5000000 0.3884432 0.3658164), wk = 0.0035088 k( 251) = ( 0.5000000 0.3884432 0.3454933), wk = 0.0035088 k( 252) = ( 0.5000000 0.3884432 0.3251702), wk = 0.0035088 k( 253) = ( 0.5000000 0.3884432 0.3048470), wk = 0.0035088 k( 254) = ( 0.5000000 0.3884432 0.2845239), wk = 0.0035088 k( 255) = ( 0.5000000 0.3884432 0.2642008), wk = 0.0035088 k( 256) = ( 0.5000000 0.3884432 0.2438776), wk = 0.0035088 k( 257) = ( 0.5000000 0.3884432 0.2235545), wk = 0.0035088 k( 258) = ( 0.5000000 0.3884432 0.2032313), wk = 0.0035088 k( 259) = ( 0.5000000 0.3884432 0.1829082), wk = 0.0035088 k( 260) = ( 0.5000000 0.3884432 0.1625851), wk = 0.0035088 k( 261) = ( 0.5000000 0.3884432 0.1422619), wk = 0.0035088 k( 262) = ( 0.5000000 0.3884432 0.1219388), wk = 0.0035088 k( 263) = ( 0.5000000 0.3884432 0.1016157), wk = 0.0035088 k( 264) = ( 0.5000000 0.3884432 0.0812925), wk = 0.0035088 k( 265) = ( 0.5000000 0.3884432 0.0609694), wk = 0.0035088 k( 266) = ( 0.5000000 0.3884432 0.0406463), wk = 0.0035088 k( 267) = ( 0.5000000 0.3884432 0.0203231), wk = 0.0035088 k( 268) = ( 0.5000000 0.3884432 -0.0000000), wk = 0.0035088 k( 269) = ( 0.0000000 0.0000000 0.8149934), wk = 0.0035088 k( 270) = ( 0.0156250 0.0121388 0.8149934), wk = 0.0035088 k( 271) = ( 0.0312500 0.0242777 0.8149934), wk = 0.0035088 k( 272) = ( 0.0468750 0.0364165 0.8149934), wk = 0.0035088 k( 273) = ( 0.0625000 0.0485554 0.8149934), wk = 0.0035088 k( 274) = ( 0.0781250 0.0606942 0.8149934), wk = 0.0035088 k( 275) = ( 0.0937500 0.0728331 0.8149934), wk = 0.0035088 k( 276) = ( 0.1093750 0.0849719 0.8149934), wk = 0.0035088 k( 277) = ( 0.1250000 0.0971108 0.8149934), wk = 0.0035088 k( 278) = ( 0.1406250 0.1092496 0.8149934), wk = 0.0035088 k( 279) = ( 0.1562500 0.1213885 0.8149934), wk = 0.0035088 k( 280) = ( 0.1718750 0.1335273 0.8149934), wk = 0.0035088 k( 281) = ( 0.1875000 0.1456662 0.8149934), wk = 0.0035088 k( 282) = ( 0.2031250 0.1578050 0.8149934), wk = 0.0035088 k( 283) = ( 0.2187500 0.1699439 0.8149934), wk = 0.0035088 k( 284) = ( 0.2343750 0.1820827 0.8149934), wk = 0.0035088 k( 285) = ( 0.2500000 0.1942216 0.8149934), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0035088 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0035088 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0035088 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0035088 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0035088 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 44) = ( -0.0116068 0.0116068 0.5000000), wk = 0.0035088 k( 45) = ( -0.0232135 0.0232136 0.5000000), wk = 0.0035088 k( 46) = ( -0.0348203 0.0348203 0.5000000), wk = 0.0035088 k( 47) = ( -0.0464271 0.0464271 0.5000000), wk = 0.0035088 k( 48) = ( -0.0580339 0.0580339 0.5000000), wk = 0.0035088 k( 49) = ( -0.0696407 0.0696407 0.5000000), wk = 0.0035088 k( 50) = ( -0.0812474 0.0812474 0.5000000), wk = 0.0035088 k( 51) = ( -0.0928542 0.0928542 0.5000000), wk = 0.0035088 k( 52) = ( -0.1044610 0.1044610 0.5000000), wk = 0.0035088 k( 53) = ( -0.1160678 0.1160678 0.5000000), wk = 0.0035088 k( 54) = ( -0.1276745 0.1276745 0.5000000), wk = 0.0035088 k( 55) = ( -0.1392813 0.1392813 0.5000000), wk = 0.0035088 k( 56) = ( -0.1508881 0.1508881 0.5000000), wk = 0.0035088 k( 57) = ( -0.1508881 0.1508881 0.5000000), wk = 0.0035088 k( 58) = ( -0.1596159 0.1596159 0.4912722), wk = 0.0035088 k( 59) = ( -0.1683437 0.1683437 0.4825444), wk = 0.0035088 k( 60) = ( -0.1770715 0.1770715 0.4738166), wk = 0.0035088 k( 61) = ( -0.1857993 0.1857993 0.4650888), wk = 0.0035088 k( 62) = ( -0.1945271 0.1945271 0.4563610), wk = 0.0035088 k( 63) = ( -0.2032549 0.2032549 0.4476332), wk = 0.0035088 k( 64) = ( -0.2119827 0.2119827 0.4389054), wk = 0.0035088 k( 65) = ( -0.2207105 0.2207105 0.4301776), wk = 0.0035088 k( 66) = ( -0.2294383 0.2294383 0.4214498), wk = 0.0035088 k( 67) = ( -0.2381661 0.2381661 0.4127220), wk = 0.0035088 k( 68) = ( -0.2468939 0.2468939 0.4039942), wk = 0.0035088 k( 69) = ( -0.2556217 0.2556217 0.3952664), wk = 0.0035088 k( 70) = ( -0.2643495 0.2643495 0.3865386), wk = 0.0035088 k( 71) = ( -0.2730773 0.2730773 0.3778108), wk = 0.0035088 k( 72) = ( -0.2818051 0.2818051 0.3690830), wk = 0.0035088 k( 73) = ( -0.2905329 0.2905329 0.3603552), wk = 0.0035088 k( 74) = ( -0.2992607 0.2992607 0.3516275), wk = 0.0035088 k( 75) = ( -0.3079885 0.3079885 0.3428997), wk = 0.0035088 k( 76) = ( -0.3167163 0.3167163 0.3341718), wk = 0.0035088 k( 77) = ( -0.3254440 0.3254440 0.3254440), wk = 0.0035088 k( 78) = ( -0.3254440 0.3254440 0.3254440), wk = 0.0035088 k( 79) = ( -0.3166483 0.3166483 0.3166483), wk = 0.0035088 k( 80) = ( -0.3078525 0.3078525 0.3078525), wk = 0.0035088 k( 81) = ( -0.2990567 0.2990567 0.2990567), wk = 0.0035088 k( 82) = ( -0.2902609 0.2902609 0.2902609), wk = 0.0035088 k( 83) = ( -0.2814651 0.2814651 0.2814651), wk = 0.0035088 k( 84) = ( -0.2726693 0.2726693 0.2726693), wk = 0.0035088 k( 85) = ( -0.2638736 0.2638736 0.2638736), wk = 0.0035088 k( 86) = ( -0.2550778 0.2550778 0.2550778), wk = 0.0035088 k( 87) = ( -0.2462820 0.2462820 0.2462820), wk = 0.0035088 k( 88) = ( -0.2374862 0.2374862 0.2374862), wk = 0.0035088 k( 89) = ( -0.2286904 0.2286904 0.2286904), wk = 0.0035088 k( 90) = ( -0.2198946 0.2198946 0.2198946), wk = 0.0035088 k( 91) = ( -0.2110989 0.2110989 0.2110989), wk = 0.0035088 k( 92) = ( -0.2023031 0.2023031 0.2023031), wk = 0.0035088 k( 93) = ( -0.1935073 0.1935073 0.1935073), wk = 0.0035088 k( 94) = ( -0.1847115 0.1847115 0.1847115), wk = 0.0035088 k( 95) = ( -0.1759157 0.1759157 0.1759157), wk = 0.0035088 k( 96) = ( -0.1671199 0.1671199 0.1671199), wk = 0.0035088 k( 97) = ( -0.1583241 0.1583241 0.1583241), wk = 0.0035088 k( 98) = ( -0.1495284 0.1495284 0.1495283), wk = 0.0035088 k( 99) = ( -0.1407326 0.1407326 0.1407326), wk = 0.0035088 k( 100) = ( -0.1319368 0.1319368 0.1319368), wk = 0.0035088 k( 101) = ( -0.1231410 0.1231410 0.1231410), wk = 0.0035088 k( 102) = ( -0.1143452 0.1143452 0.1143452), wk = 0.0035088 k( 103) = ( -0.1055494 0.1055494 0.1055494), wk = 0.0035088 k( 104) = ( -0.0967536 0.0967536 0.0967536), wk = 0.0035088 k( 105) = ( -0.0879579 0.0879579 0.0879579), wk = 0.0035088 k( 106) = ( -0.0791621 0.0791621 0.0791621), wk = 0.0035088 k( 107) = ( -0.0703663 0.0703663 0.0703663), wk = 0.0035088 k( 108) = ( -0.0615705 0.0615705 0.0615705), wk = 0.0035088 k( 109) = ( -0.0527747 0.0527747 0.0527747), wk = 0.0035088 k( 110) = ( -0.0439789 0.0439789 0.0439789), wk = 0.0035088 k( 111) = ( -0.0351831 0.0351831 0.0351831), wk = 0.0035088 k( 112) = ( -0.0263874 0.0263874 0.0263874), wk = 0.0035088 k( 113) = ( -0.0175916 0.0175916 0.0175916), wk = 0.0035088 k( 114) = ( -0.0087958 0.0087958 0.0087958), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 117) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0035088 k( 118) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0035088 k( 119) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0035088 k( 120) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0035088 k( 121) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0035088 k( 122) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0035088 k( 123) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0035088 k( 124) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0035088 k( 125) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0035088 k( 126) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0035088 k( 127) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0035088 k( 128) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0035088 k( 129) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0035088 k( 130) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0035088 k( 131) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0035088 k( 132) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0035088 k( 133) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0035088 k( 134) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0035088 k( 135) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0035088 k( 136) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0035088 k( 137) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0035088 k( 138) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0035088 k( 139) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0035088 k( 140) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0035088 k( 141) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0035088 k( 142) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0035088 k( 143) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0035088 k( 144) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0035088 k( 145) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0035088 k( 146) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0035088 k( 147) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0035088 k( 148) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 149) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 150) = ( 0.4912722 0.5087278 -0.4912722), wk = 0.0035088 k( 151) = ( 0.4825444 0.5174556 -0.4825444), wk = 0.0035088 k( 152) = ( 0.4738166 0.5261834 -0.4738166), wk = 0.0035088 k( 153) = ( 0.4650888 0.5349112 -0.4650888), wk = 0.0035088 k( 154) = ( 0.4563610 0.5436390 -0.4563610), wk = 0.0035088 k( 155) = ( 0.4476332 0.5523668 -0.4476332), wk = 0.0035088 k( 156) = ( 0.4389054 0.5610946 -0.4389054), wk = 0.0035088 k( 157) = ( 0.4301776 0.5698224 -0.4301776), wk = 0.0035088 k( 158) = ( 0.4214498 0.5785502 -0.4214498), wk = 0.0035088 k( 159) = ( 0.4127220 0.5872780 -0.4127220), wk = 0.0035088 k( 160) = ( 0.4039942 0.5960058 -0.4039942), wk = 0.0035088 k( 161) = ( 0.3952664 0.6047336 -0.3952664), wk = 0.0035088 k( 162) = ( 0.3865386 0.6134614 -0.3865386), wk = 0.0035088 k( 163) = ( 0.3778108 0.6221892 -0.3778108), wk = 0.0035088 k( 164) = ( 0.3690830 0.6309170 -0.3690830), wk = 0.0035088 k( 165) = ( 0.3603552 0.6396448 -0.3603552), wk = 0.0035088 k( 166) = ( 0.3516275 0.6483726 -0.3516274), wk = 0.0035088 k( 167) = ( 0.3428997 0.6571004 -0.3428996), wk = 0.0035088 k( 168) = ( 0.3341718 0.6658282 -0.3341718), wk = 0.0035088 k( 169) = ( 0.3254440 0.6745560 -0.3254440), wk = 0.0035088 k( 170) = ( 0.3254440 0.6745560 -0.3254440), wk = 0.0035088 k( 171) = ( 0.3073638 0.6648584 -0.3073638), wk = 0.0035088 k( 172) = ( 0.2892836 0.6551608 -0.2892836), wk = 0.0035088 k( 173) = ( 0.2712034 0.6454633 -0.2712034), wk = 0.0035088 k( 174) = ( 0.2531232 0.6357657 -0.2531231), wk = 0.0035088 k( 175) = ( 0.2350429 0.6260682 -0.2350429), wk = 0.0035088 k( 176) = ( 0.2169627 0.6163706 -0.2169627), wk = 0.0035088 k( 177) = ( 0.1988825 0.6066731 -0.1988825), wk = 0.0035088 k( 178) = ( 0.1808022 0.5969755 -0.1808023), wk = 0.0035088 k( 179) = ( 0.1627220 0.5872780 -0.1627220), wk = 0.0035088 k( 180) = ( 0.1446418 0.5775804 -0.1446418), wk = 0.0035088 k( 181) = ( 0.1265616 0.5678829 -0.1265616), wk = 0.0035088 k( 182) = ( 0.1084814 0.5581853 -0.1084814), wk = 0.0035088 k( 183) = ( 0.0904011 0.5484878 -0.0904011), wk = 0.0035088 k( 184) = ( 0.0723209 0.5387902 -0.0723209), wk = 0.0035088 k( 185) = ( 0.0542407 0.5290927 -0.0542407), wk = 0.0035088 k( 186) = ( 0.0361604 0.5193951 -0.0361605), wk = 0.0035088 k( 187) = ( 0.0180802 0.5096976 -0.0180802), wk = 0.0035088 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 190) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035088 k( 191) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035088 k( 192) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035088 k( 193) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035088 k( 194) = ( 0.0431035 0.4568966 0.0431034), wk = 0.0035088 k( 195) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035088 k( 196) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035088 k( 197) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035088 k( 198) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035088 k( 199) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035088 k( 200) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035088 k( 201) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035088 k( 202) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035088 k( 203) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035088 k( 204) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035088 k( 205) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035088 k( 206) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035088 k( 207) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035088 k( 208) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035088 k( 209) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035088 k( 210) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035088 k( 211) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035088 k( 212) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035088 k( 213) = ( 0.2068966 0.2931035 0.2068966), wk = 0.0035088 k( 214) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035088 k( 215) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035088 k( 216) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035088 k( 217) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035088 k( 218) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 220) = ( 0.2625000 0.2625000 0.2299556), wk = 0.0035088 k( 221) = ( 0.2750000 0.2750000 0.2099112), wk = 0.0035088 k( 222) = ( 0.2875000 0.2875000 0.1898668), wk = 0.0035088 k( 223) = ( 0.3000000 0.3000000 0.1698224), wk = 0.0035088 k( 224) = ( 0.3125000 0.3125000 0.1497780), wk = 0.0035088 k( 225) = ( 0.3250000 0.3250000 0.1297336), wk = 0.0035088 k( 226) = ( 0.3375000 0.3375000 0.1096892), wk = 0.0035088 k( 227) = ( 0.3500000 0.3500000 0.0896448), wk = 0.0035088 k( 228) = ( 0.3625000 0.3625000 0.0696004), wk = 0.0035088 k( 229) = ( 0.3750000 0.3750000 0.0495559), wk = 0.0035088 k( 230) = ( 0.3875000 0.3875000 0.0295115), wk = 0.0035088 k( 231) = ( 0.4000000 0.4000000 0.0094671), wk = 0.0035088 k( 232) = ( 0.4125000 0.4125000 -0.0105773), wk = 0.0035088 k( 233) = ( 0.4250000 0.4250000 -0.0306217), wk = 0.0035088 k( 234) = ( 0.4375000 0.4375000 -0.0506661), wk = 0.0035088 k( 235) = ( 0.4500000 0.4500000 -0.0707105), wk = 0.0035088 k( 236) = ( 0.4625000 0.4625000 -0.0907549), wk = 0.0035088 k( 237) = ( 0.4750000 0.4750000 -0.1107993), wk = 0.0035088 k( 238) = ( 0.4875000 0.4875000 -0.1308437), wk = 0.0035088 k( 239) = ( 0.5000000 0.5000000 -0.1508881), wk = 0.0035088 k( 240) = ( 0.5000000 0.5000000 -0.1508881), wk = 0.0035088 k( 241) = ( 0.5000000 0.5000000 -0.1633564), wk = 0.0035088 k( 242) = ( 0.5000000 0.5000000 -0.1758247), wk = 0.0035088 k( 243) = ( 0.5000000 0.5000000 -0.1882930), wk = 0.0035088 k( 244) = ( 0.5000000 0.5000000 -0.2007612), wk = 0.0035088 k( 245) = ( 0.5000000 0.5000000 -0.2132295), wk = 0.0035088 k( 246) = ( 0.5000000 0.5000000 -0.2256978), wk = 0.0035088 k( 247) = ( 0.5000000 0.5000000 -0.2381661), wk = 0.0035088 k( 248) = ( 0.5000000 0.5000000 -0.2506344), wk = 0.0035088 k( 249) = ( 0.5000000 0.5000000 -0.2631026), wk = 0.0035088 k( 250) = ( 0.5000000 0.5000000 -0.2755709), wk = 0.0035088 k( 251) = ( 0.5000000 0.5000000 -0.2880392), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 -0.3005075), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 -0.3129758), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 -0.3254440), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 -0.3379123), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 -0.3503806), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 -0.3628489), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 -0.3753172), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 -0.3877855), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 -0.4002537), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 -0.4127220), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 -0.4251903), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 -0.4376586), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 -0.4501269), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 -0.4625952), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 -0.4750634), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 -0.4875317), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 270) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0035088 k( 271) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0035088 k( 272) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0035088 k( 273) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0035088 k( 274) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0035088 k( 275) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0035088 k( 276) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0035088 k( 277) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035088 k( 278) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0035088 k( 279) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0035088 k( 280) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0035088 k( 281) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0035088 k( 282) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0035088 k( 283) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0035088 k( 284) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0035088 k( 285) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 Dense grid: 286757 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 35967 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 190, 50) NL pseudopotentials 0.35 Mb ( 95, 238) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.05 Mb ( 5975) G-vector shells 0.02 Mb ( 2739) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 190, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.36 Mb ( 238, 2, 50) The potential is recalculated from file : ./Al2CdS4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.7 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.5 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.4 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.2 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.9 secs Computing kpt #: 6 total cpu time spent up to now is 77.4 secs Computing kpt #: 7 total cpu time spent up to now is 82.2 secs Computing kpt #: 8 total cpu time spent up to now is 86.2 secs Computing kpt #: 9 total cpu time spent up to now is 90.2 secs Computing kpt #: 10 total cpu time spent up to now is 94.3 secs Computing kpt #: 11 total cpu time spent up to now is 98.1 secs Computing kpt #: 12 total cpu time spent up to now is 102.2 secs Computing kpt #: 13 total cpu time spent up to now is 105.9 secs Computing kpt #: 14 total cpu time spent up to now is 109.6 secs Computing kpt #: 15 total cpu time spent up to now is 113.1 secs Computing kpt #: 16 total cpu time spent up to now is 116.6 secs Computing kpt #: 17 total cpu time spent up to now is 120.1 secs Computing kpt #: 18 total cpu time spent up to now is 123.6 secs Computing kpt #: 19 total cpu time spent up to now is 127.1 secs Computing kpt #: 20 total cpu time spent up to now is 130.7 secs Computing kpt #: 21 total cpu time spent up to now is 134.3 secs Computing kpt #: 22 total cpu time spent up to now is 137.9 secs Computing kpt #: 23 total cpu time spent up to now is 141.5 secs Computing kpt #: 24 total cpu time spent up to now is 145.2 secs Computing kpt #: 25 total cpu time spent up to now is 148.8 secs Computing kpt #: 26 total cpu time spent up to now is 152.5 secs Computing kpt #: 27 total cpu time spent up to now is 156.3 secs Computing kpt #: 28 total cpu time spent up to now is 160.1 secs Computing kpt #: 29 total cpu time spent up to now is 163.8 secs Computing kpt #: 30 total cpu time spent up to now is 167.3 secs Computing kpt #: 31 total cpu time spent up to now is 170.8 secs Computing kpt #: 32 total cpu time spent up to now is 174.4 secs Computing kpt #: 33 total cpu time spent up to now is 177.9 secs Computing kpt #: 34 total cpu time spent up to now is 181.5 secs Computing kpt #: 35 total cpu time spent up to now is 184.9 secs Computing kpt #: 36 total cpu time spent up to now is 188.4 secs Computing kpt #: 37 total cpu time spent up to now is 192.0 secs Computing kpt #: 38 total cpu time spent up to now is 195.7 secs Computing kpt #: 39 total cpu time spent up to now is 200.5 secs Computing kpt #: 40 total cpu time spent up to now is 204.6 secs Computing kpt #: 41 total cpu time spent up to now is 208.4 secs Computing kpt #: 42 total cpu time spent up to now is 212.1 secs Computing kpt #: 43 total cpu time spent up to now is 215.8 secs Computing kpt #: 44 total cpu time spent up to now is 219.8 secs Computing kpt #: 45 total cpu time spent up to now is 223.9 secs Computing kpt #: 46 total cpu time spent up to now is 228.1 secs Computing kpt #: 47 total cpu time spent up to now is 232.2 secs Computing kpt #: 48 total cpu time spent up to now is 235.9 secs Computing kpt #: 49 total cpu time spent up to now is 240.0 secs Computing kpt #: 50 total cpu time spent up to now is 243.5 secs Computing kpt #: 51 total cpu time spent up to now is 247.3 secs Computing kpt #: 52 total cpu time spent up to now is 251.0 secs Computing kpt #: 53 total cpu time spent up to now is 254.6 secs Computing kpt #: 54 total cpu time spent up to now is 258.3 secs Computing kpt #: 55 total cpu time spent up to now is 262.4 secs Computing kpt #: 56 total cpu time spent up to now is 266.1 secs Computing kpt #: 57 total cpu time spent up to now is 269.7 secs Computing kpt #: 58 total cpu time spent up to now is 273.3 secs Computing kpt #: 59 total cpu time spent up to now is 277.0 secs Computing kpt #: 60 total cpu time spent up to now is 280.6 secs Computing kpt #: 61 total cpu time spent up to now is 284.2 secs Computing kpt #: 62 total cpu time spent up to now is 287.8 secs Computing kpt #: 63 total cpu time spent up to now is 291.4 secs Computing kpt #: 64 total cpu time spent up to now is 295.0 secs Computing kpt #: 65 total cpu time spent up to now is 298.7 secs Computing kpt #: 66 total cpu time spent up to now is 302.4 secs Computing kpt #: 67 total cpu time spent up to now is 305.9 secs Computing kpt #: 68 total cpu time spent up to now is 309.5 secs Computing kpt #: 69 total cpu time spent up to now is 313.1 secs Computing kpt #: 70 total cpu time spent up to now is 316.6 secs Computing kpt #: 71 total cpu time spent up to now is 320.1 secs Computing kpt #: 72 total cpu time spent up to now is 323.5 secs Computing kpt #: 73 total cpu time spent up to now is 327.0 secs Computing kpt #: 74 total cpu time spent up to now is 330.2 secs Computing kpt #: 75 total cpu time spent up to now is 333.7 secs Computing kpt #: 76 total cpu time spent up to now is 337.0 secs Computing kpt #: 77 total cpu time spent up to now is 340.5 secs Computing kpt #: 78 total cpu time spent up to now is 343.8 secs Computing kpt #: 79 total cpu time spent up to now is 347.4 secs Computing kpt #: 80 total cpu time spent up to now is 350.7 secs Computing kpt #: 81 total cpu time spent up to now is 354.2 secs Computing kpt #: 82 total cpu time spent up to now is 357.9 secs Computing kpt #: 83 total cpu time spent up to now is 361.5 secs Computing kpt #: 84 total cpu time spent up to now is 365.1 secs Computing kpt #: 85 total cpu time spent up to now is 368.8 secs Computing kpt #: 86 total cpu time spent up to now is 372.5 secs Computing kpt #: 87 total cpu time spent up to now is 376.8 secs Computing kpt #: 88 total cpu time spent up to now is 380.4 secs Computing kpt #: 89 total cpu time spent up to now is 384.0 secs Computing kpt #: 90 total cpu time spent up to now is 387.7 secs Computing kpt #: 91 total cpu time spent up to now is 391.3 secs Computing kpt #: 92 total cpu time spent up to now is 394.9 secs Computing kpt #: 93 total cpu time spent up to now is 398.6 secs Computing kpt #: 94 total cpu time spent up to now is 402.3 secs Computing kpt #: 95 total cpu time spent up to now is 406.3 secs Computing kpt #: 96 total cpu time spent up to now is 410.0 secs Computing kpt #: 97 total cpu time spent up to now is 413.6 secs Computing kpt #: 98 total cpu time spent up to now is 416.8 secs Computing kpt #: 99 total cpu time spent up to now is 420.0 secs Computing kpt #: 100 total cpu time spent up to now is 423.4 secs Computing kpt #: 101 total cpu time spent up to now is 426.9 secs Computing kpt #: 102 total cpu time spent up to now is 430.4 secs Computing kpt #: 103 total cpu time spent up to now is 434.0 secs Computing kpt #: 104 total cpu time spent up to now is 437.8 secs Computing kpt #: 105 total cpu time spent up to now is 442.1 secs Computing kpt #: 106 total cpu time spent up to now is 446.2 secs Computing kpt #: 107 total cpu time spent up to now is 451.0 secs Computing kpt #: 108 total cpu time spent up to now is 455.7 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 461.5 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.4 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 473.2 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 479.1 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 484.9 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.6 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.2 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 502.9 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.5 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 514.2 secs Computing kpt #: 119 total cpu time spent up to now is 519.5 secs Computing kpt #: 120 total cpu time spent up to now is 523.5 secs Computing kpt #: 121 total cpu time spent up to now is 527.5 secs Computing kpt #: 122 total cpu time spent up to now is 531.5 secs Computing kpt #: 123 total cpu time spent up to now is 535.1 secs Computing kpt #: 124 total cpu time spent up to now is 538.7 secs Computing kpt #: 125 total cpu time spent up to now is 542.3 secs Computing kpt #: 126 total cpu time spent up to now is 545.8 secs Computing kpt #: 127 total cpu time spent up to now is 549.7 secs Computing kpt #: 128 total cpu time spent up to now is 553.3 secs Computing kpt #: 129 total cpu time spent up to now is 557.0 secs Computing kpt #: 130 total cpu time spent up to now is 560.6 secs Computing kpt #: 131 total cpu time spent up to now is 564.1 secs Computing kpt #: 132 total cpu time spent up to now is 567.6 secs Computing kpt #: 133 total cpu time spent up to now is 570.9 secs Computing kpt #: 134 total cpu time spent up to now is 574.0 secs Computing kpt #: 135 total cpu time spent up to now is 577.0 secs Computing kpt #: 136 total cpu time spent up to now is 580.5 secs Computing kpt #: 137 total cpu time spent up to now is 583.6 secs Computing kpt #: 138 total cpu time spent up to now is 586.7 secs Computing kpt #: 139 total cpu time spent up to now is 589.8 secs Computing kpt #: 140 total cpu time spent up to now is 592.9 secs Computing kpt #: 141 total cpu time spent up to now is 595.9 secs Computing kpt #: 142 total cpu time spent up to now is 599.0 secs Computing kpt #: 143 total cpu time spent up to now is 602.1 secs Computing kpt #: 144 total cpu time spent up to now is 605.2 secs Computing kpt #: 145 total cpu time spent up to now is 608.3 secs Computing kpt #: 146 total cpu time spent up to now is 611.5 secs Computing kpt #: 147 total cpu time spent up to now is 614.5 secs Computing kpt #: 148 total cpu time spent up to now is 617.6 secs Computing kpt #: 149 total cpu time spent up to now is 620.7 secs Computing kpt #: 150 total cpu time spent up to now is 623.8 secs Computing kpt #: 151 total cpu time spent up to now is 627.1 secs Computing kpt #: 152 total cpu time spent up to now is 630.2 secs Computing kpt #: 153 total cpu time spent up to now is 633.3 secs Computing kpt #: 154 total cpu time spent up to now is 636.5 secs Computing kpt #: 155 total cpu time spent up to now is 639.6 secs Computing kpt #: 156 total cpu time spent up to now is 643.0 secs Computing kpt #: 157 total cpu time spent up to now is 646.2 secs Computing kpt #: 158 total cpu time spent up to now is 649.5 secs Computing kpt #: 159 total cpu time spent up to now is 652.8 secs Computing kpt #: 160 total cpu time spent up to now is 655.9 secs Computing kpt #: 161 total cpu time spent up to now is 659.8 secs Computing kpt #: 162 total cpu time spent up to now is 663.0 secs Computing kpt #: 163 total cpu time spent up to now is 666.6 secs Computing kpt #: 164 total cpu time spent up to now is 670.1 secs Computing kpt #: 165 total cpu time spent up to now is 673.8 secs Computing kpt #: 166 total cpu time spent up to now is 677.5 secs Computing kpt #: 167 total cpu time spent up to now is 681.1 secs Computing kpt #: 168 total cpu time spent up to now is 684.4 secs Computing kpt #: 169 total cpu time spent up to now is 687.9 secs Computing kpt #: 170 total cpu time spent up to now is 691.4 secs Computing kpt #: 171 total cpu time spent up to now is 694.8 secs Computing kpt #: 172 total cpu time spent up to now is 698.2 secs Computing kpt #: 173 total cpu time spent up to now is 701.4 secs Computing kpt #: 174 total cpu time spent up to now is 704.6 secs Computing kpt #: 175 total cpu time spent up to now is 707.8 secs Computing kpt #: 176 total cpu time spent up to now is 711.1 secs Computing kpt #: 177 total cpu time spent up to now is 714.4 secs Computing kpt #: 178 total cpu time spent up to now is 717.6 secs Computing kpt #: 179 total cpu time spent up to now is 720.8 secs Computing kpt #: 180 total cpu time spent up to now is 724.1 secs Computing kpt #: 181 total cpu time spent up to now is 727.2 secs Computing kpt #: 182 total cpu time spent up to now is 730.7 secs Computing kpt #: 183 total cpu time spent up to now is 734.2 secs Computing kpt #: 184 total cpu time spent up to now is 737.8 secs Computing kpt #: 185 total cpu time spent up to now is 741.4 secs Computing kpt #: 186 total cpu time spent up to now is 745.4 secs Computing kpt #: 187 total cpu time spent up to now is 749.0 secs Computing kpt #: 188 total cpu time spent up to now is 752.5 secs Computing kpt #: 189 total cpu time spent up to now is 756.0 secs Computing kpt #: 190 total cpu time spent up to now is 759.6 secs Computing kpt #: 191 total cpu time spent up to now is 763.2 secs Computing kpt #: 192 total cpu time spent up to now is 766.9 secs Computing kpt #: 193 total cpu time spent up to now is 770.5 secs Computing kpt #: 194 total cpu time spent up to now is 774.1 secs Computing kpt #: 195 total cpu time spent up to now is 777.8 secs Computing kpt #: 196 total cpu time spent up to now is 781.4 secs Computing kpt #: 197 total cpu time spent up to now is 785.0 secs Computing kpt #: 198 total cpu time spent up to now is 788.6 secs Computing kpt #: 199 total cpu time spent up to now is 792.1 secs Computing kpt #: 200 total cpu time spent up to now is 795.7 secs Computing kpt #: 201 total cpu time spent up to now is 801.2 secs Computing kpt #: 202 total cpu time spent up to now is 805.7 secs Computing kpt #: 203 total cpu time spent up to now is 809.3 secs Computing kpt #: 204 total cpu time spent up to now is 812.9 secs Computing kpt #: 205 total cpu time spent up to now is 816.6 secs Computing kpt #: 206 total cpu time spent up to now is 820.4 secs Computing kpt #: 207 total cpu time spent up to now is 824.1 secs Computing kpt #: 208 total cpu time spent up to now is 827.9 secs Computing kpt #: 209 total cpu time spent up to now is 831.6 secs Computing kpt #: 210 total cpu time spent up to now is 835.4 secs Computing kpt #: 211 total cpu time spent up to now is 839.1 secs Computing kpt #: 212 total cpu time spent up to now is 842.9 secs Computing kpt #: 213 total cpu time spent up to now is 846.6 secs Computing kpt #: 214 total cpu time spent up to now is 850.5 secs Computing kpt #: 215 total cpu time spent up to now is 854.0 secs Computing kpt #: 216 total cpu time spent up to now is 857.6 secs Computing kpt #: 217 total cpu time spent up to now is 861.5 secs Computing kpt #: 218 total cpu time spent up to now is 865.1 secs Computing kpt #: 219 total cpu time spent up to now is 868.8 secs Computing kpt #: 220 total cpu time spent up to now is 872.3 secs Computing kpt #: 221 total cpu time spent up to now is 875.9 secs Computing kpt #: 222 total cpu time spent up to now is 879.6 secs Computing kpt #: 223 total cpu time spent up to now is 883.3 secs Computing kpt #: 224 total cpu time spent up to now is 887.3 secs Computing kpt #: 225 total cpu time spent up to now is 891.0 secs Computing kpt #: 226 total cpu time spent up to now is 894.8 secs Computing kpt #: 227 total cpu time spent up to now is 898.8 secs Computing kpt #: 228 total cpu time spent up to now is 902.8 secs Computing kpt #: 229 total cpu time spent up to now is 906.5 secs Computing kpt #: 230 total cpu time spent up to now is 910.3 secs Computing kpt #: 231 total cpu time spent up to now is 913.9 secs Computing kpt #: 232 total cpu time spent up to now is 917.5 secs Computing kpt #: 233 total cpu time spent up to now is 921.2 secs Computing kpt #: 234 total cpu time spent up to now is 924.9 secs Computing kpt #: 235 total cpu time spent up to now is 928.6 secs Computing kpt #: 236 total cpu time spent up to now is 932.2 secs Computing kpt #: 237 total cpu time spent up to now is 935.9 secs Computing kpt #: 238 total cpu time spent up to now is 939.5 secs Computing kpt #: 239 total cpu time spent up to now is 943.1 secs Computing kpt #: 240 total cpu time spent up to now is 946.7 secs Computing kpt #: 241 total cpu time spent up to now is 950.5 secs Computing kpt #: 242 total cpu time spent up to now is 954.6 secs Computing kpt #: 243 total cpu time spent up to now is 958.8 secs Computing kpt #: 244 total cpu time spent up to now is 963.1 secs Computing kpt #: 245 total cpu time spent up to now is 966.8 secs Computing kpt #: 246 total cpu time spent up to now is 970.5 secs Computing kpt #: 247 total cpu time spent up to now is 974.1 secs Computing kpt #: 248 total cpu time spent up to now is 977.7 secs Computing kpt #: 249 total cpu time spent up to now is 981.3 secs Computing kpt #: 250 total cpu time spent up to now is 984.5 secs Computing kpt #: 251 total cpu time spent up to now is 988.0 secs Computing kpt #: 252 total cpu time spent up to now is 991.3 secs Computing kpt #: 253 total cpu time spent up to now is 994.7 secs Computing kpt #: 254 total cpu time spent up to now is 998.1 secs Computing kpt #: 255 total cpu time spent up to now is 1001.6 secs Computing kpt #: 256 total cpu time spent up to now is 1004.7 secs Computing kpt #: 257 total cpu time spent up to now is 1008.0 secs Computing kpt #: 258 total cpu time spent up to now is 1011.6 secs Computing kpt #: 259 total cpu time spent up to now is 1014.8 secs Computing kpt #: 260 total cpu time spent up to now is 1018.0 secs Computing kpt #: 261 total cpu time spent up to now is 1021.3 secs Computing kpt #: 262 total cpu time spent up to now is 1024.4 secs Computing kpt #: 263 total cpu time spent up to now is 1027.6 secs Computing kpt #: 264 total cpu time spent up to now is 1030.8 secs Computing kpt #: 265 total cpu time spent up to now is 1034.1 secs Computing kpt #: 266 total cpu time spent up to now is 1037.2 secs Computing kpt #: 267 total cpu time spent up to now is 1040.4 secs Computing kpt #: 268 total cpu time spent up to now is 1043.5 secs Computing kpt #: 269 total cpu time spent up to now is 1047.2 secs Computing kpt #: 270 total cpu time spent up to now is 1050.9 secs Computing kpt #: 271 total cpu time spent up to now is 1055.1 secs Computing kpt #: 272 total cpu time spent up to now is 1059.1 secs Computing kpt #: 273 total cpu time spent up to now is 1062.9 secs Computing kpt #: 274 total cpu time spent up to now is 1066.7 secs Computing kpt #: 275 total cpu time spent up to now is 1070.9 secs Computing kpt #: 276 total cpu time spent up to now is 1075.2 secs Computing kpt #: 277 total cpu time spent up to now is 1079.3 secs Computing kpt #: 278 total cpu time spent up to now is 1083.2 secs Computing kpt #: 279 total cpu time spent up to now is 1087.0 secs Computing kpt #: 280 total cpu time spent up to now is 1090.8 secs Computing kpt #: 281 total cpu time spent up to now is 1094.4 secs Computing kpt #: 282 total cpu time spent up to now is 1099.2 secs Computing kpt #: 283 total cpu time spent up to now is 1104.5 secs Computing kpt #: 284 total cpu time spent up to now is 1108.2 secs Computing kpt #: 285 total cpu time spent up to now is 1111.8 secs ethr = 2.38E-11, avg # of iterations = 52.0 total cpu time spent up to now is 1112.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4507 PWs) bands (ev): -8.6230 -8.6230 -7.1712 -7.1712 -7.1712 -7.1712 -7.0847 -7.0847 -3.3374 -3.3374 -3.3303 -3.3303 -2.7017 -2.7017 -2.6915 -2.6915 -2.6539 -2.6539 -1.3259 -1.3259 0.3411 0.3411 0.9466 0.9466 0.9471 0.9471 0.9583 0.9583 1.9815 1.9815 1.9880 1.9880 2.9497 2.9497 2.9601 2.9601 3.8582 3.8582 3.9316 3.9316 3.9456 3.9456 6.9390 6.9390 7.6783 7.6783 9.2108 9.2108 10.3054 10.3054 k = 0.0000 0.0000 0.0199 ( 4511 PWs) bands (ev): -8.6224 -8.6224 -7.1719 -7.1719 -7.1716 -7.1715 -7.0848 -7.0847 -3.3379 -3.3375 -3.3304 -3.3297 -2.7023 -2.7012 -2.6934 -2.6896 -2.6555 -2.6525 -1.3264 -1.3245 0.3374 0.3400 0.9202 0.9281 0.9473 0.9478 0.9807 0.9881 1.9822 1.9839 1.9871 1.9874 2.9481 2.9506 2.9598 2.9606 3.8527 3.8600 3.9256 3.9329 3.9434 3.9436 6.9448 6.9451 7.6812 7.6819 9.2128 9.2137 10.3027 10.3042 k = 0.0000 0.0000 0.0398 ( 4511 PWs) bands (ev): -8.6204 -8.6204 -7.1739 -7.1738 -7.1727 -7.1724 -7.0848 -7.0846 -3.3389 -3.3380 -3.3300 -3.3288 -2.7028 -2.7010 -2.6950 -2.6876 -2.6572 -2.6513 -1.3261 -1.3223 0.3288 0.3339 0.8987 0.9076 0.9446 0.9457 1.0164 1.0237 1.9834 1.9842 1.9878 1.9901 2.9444 2.9494 2.9613 2.9633 3.8428 3.8586 3.9123 3.9303 3.9378 3.9403 6.9622 6.9627 7.6907 7.6921 9.2194 9.2213 10.2937 10.2963 k = 0.0000 0.0000 0.0596 ( 4503 PWs) bands (ev): -8.6171 -8.6170 -7.1771 -7.1770 -7.1744 -7.1740 -7.0850 -7.0847 -3.3404 -3.3388 -3.3293 -3.3278 -2.7034 -2.7013 -2.6961 -2.6856 -2.6591 -2.6503 -1.3249 -1.3194 0.3154 0.3225 0.8841 0.8936 0.9403 0.9422 1.0549 1.0626 1.9790 1.9797 1.9950 1.9992 2.9375 2.9442 2.9667 2.9693 3.8266 3.8522 3.8923 3.9204 3.9340 3.9372 6.9904 6.9912 7.7068 7.7088 9.2307 9.2335 10.2758 10.2792 k = 0.0000 0.0000 0.0795 ( 4511 PWs) bands (ev): -8.6125 -8.6124 -7.1815 -7.1814 -7.1767 -7.1763 -7.0852 -7.0848 -3.3421 -3.3396 -3.3284 -3.3268 -2.7041 -2.7023 -2.6966 -2.6836 -2.6611 -2.6494 -1.3229 -1.3158 0.2972 0.3059 0.8773 0.8869 0.9349 0.9376 1.0953 1.1037 1.9718 1.9728 2.0059 2.0116 2.9282 2.9363 2.9752 2.9783 3.8023 3.8348 3.8727 3.9068 3.9312 3.9341 7.0284 7.0297 7.7295 7.7322 9.2462 9.2501 10.2503 10.2545 k = 0.0000 0.0000 0.0994 ( 4511 PWs) bands (ev): -8.6065 -8.6064 -7.1871 -7.1869 -7.1797 -7.1791 -7.0855 -7.0851 -3.3440 -3.3405 -3.3277 -3.3257 -2.7050 -2.7035 -2.6967 -2.6816 -2.6631 -2.6488 -1.3201 -1.3116 0.2743 0.2840 0.8787 0.8877 0.9287 0.9324 1.1369 1.1462 1.9617 1.9632 2.0199 2.0269 2.9175 2.9267 2.9862 2.9899 3.7690 3.8014 3.8598 3.8925 3.9282 3.9307 7.0748 7.0768 7.7588 7.7621 9.2655 9.2705 10.2191 10.2243 k = 0.0000 0.0000 0.1193 ( 4519 PWs) bands (ev): -8.5993 -8.5992 -7.1937 -7.1935 -7.1832 -7.1826 -7.0860 -7.0856 -3.3460 -3.3412 -3.3272 -3.3245 -2.7067 -2.7042 -2.6966 -2.6797 -2.6650 -2.6482 -1.3166 -1.3068 0.2471 0.2573 0.8878 0.8948 0.9225 0.9280 1.1791 1.1896 1.9485 1.9506 2.0368 2.0450 2.9059 2.9162 2.9994 3.0038 3.7276 3.7578 3.8491 3.8783 3.9248 3.9273 7.1281 7.1309 7.7948 7.7987 9.2881 9.2942 10.1841 10.1901 k = 0.0000 0.0000 0.1391 ( 4515 PWs) bands (ev): -8.5908 -8.5906 -7.2014 -7.2011 -7.1873 -7.1866 -7.0868 -7.0863 -3.3480 -3.3420 -3.3270 -3.3232 -2.7087 -2.7047 -2.6966 -2.6778 -2.6668 -2.6477 -1.3125 -1.3016 0.2162 0.2265 0.9007 0.9027 0.9206 0.9298 1.2214 1.2332 1.9318 1.9347 2.0565 2.0656 2.8944 2.9055 3.0146 3.0197 3.6798 3.7082 3.8377 3.8636 3.9211 3.9236 7.1866 7.1904 7.8376 7.8420 9.3133 9.3206 10.1471 10.1537 k = 0.0000 0.0000 0.1590 ( 4493 PWs) bands (ev): -8.5810 -8.5808 -7.2101 -7.2097 -7.1920 -7.1911 -7.0878 -7.0873 -3.3501 -3.3426 -3.3271 -3.3219 -2.7108 -2.7051 -2.6966 -2.6759 -2.6682 -2.6472 -1.3077 -1.2959 0.1823 0.1923 0.9008 0.9030 0.9377 0.9473 1.2632 1.2764 1.9114 1.9151 2.0785 2.0885 2.8834 2.8952 3.0314 3.0374 3.6277 3.6553 3.8246 3.8479 3.9172 3.9200 7.2487 7.2536 7.8870 7.8919 9.3402 9.3487 10.1095 10.1165 k = 0.0000 0.0000 0.1789 ( 4489 PWs) bands (ev): -8.5699 -8.5698 -7.2197 -7.2192 -7.1971 -7.1962 -7.0892 -7.0886 -3.3521 -3.3432 -3.3274 -3.3205 -2.7129 -2.7057 -2.6967 -2.6743 -2.6691 -2.6468 -1.3023 -1.2900 0.1459 0.1554 0.8949 0.8982 0.9685 0.9762 1.3038 1.3186 1.8875 1.8922 2.1027 2.1134 2.8732 2.8855 3.0494 3.0564 3.5731 3.6008 3.8095 3.8309 3.9133 3.9162 7.3128 7.3189 7.9431 7.9483 9.3676 9.3775 10.0725 10.0798 k = 0.0000 0.0000 0.1988 ( 4483 PWs) bands (ev): -8.5577 -8.5575 -7.2301 -7.2295 -7.2027 -7.2017 -7.0909 -7.0902 -3.3540 -3.3438 -3.3279 -3.3191 -2.7149 -2.7065 -2.6968 -2.6734 -2.6692 -2.6464 -1.2965 -1.2838 0.1078 0.1167 0.8887 0.8927 1.0063 1.0121 1.3424 1.3589 1.8606 1.8662 2.1286 2.1398 2.8638 2.8766 3.0682 3.0763 3.5183 3.5467 3.7925 3.8124 3.9094 3.9125 7.3777 7.3850 8.0055 8.0110 9.3945 9.4058 10.0375 10.0448 k = 0.0000 0.0000 0.2187 ( 4483 PWs) bands (ev): -8.5442 -8.5441 -7.2414 -7.2407 -7.2087 -7.2076 -7.0929 -7.0921 -3.3559 -3.3445 -3.3286 -3.3178 -2.7169 -2.7077 -2.6967 -2.6732 -2.6682 -2.6459 -1.2902 -1.2775 0.0683 0.0766 0.8833 0.8879 1.0494 1.0537 1.3778 1.3963 1.8319 1.8384 2.1559 2.1674 2.8549 2.8681 3.0872 3.0966 3.4653 3.4952 3.7737 3.7926 3.9055 3.9087 7.4422 7.4508 8.0738 8.0793 9.4193 9.4319 10.0056 10.0126 k = 0.0000 0.0000 0.2385 ( 4485 PWs) bands (ev): -8.5296 -8.5294 -7.2534 -7.2526 -7.2151 -7.2139 -7.0953 -7.0944 -3.3577 -3.3451 -3.3295 -3.3165 -2.7187 -2.7092 -2.6964 -2.6733 -2.6667 -2.6454 -1.2836 -1.2709 0.0281 0.0356 0.8791 0.8841 1.0967 1.1001 1.4081 1.4289 1.8037 1.8108 2.1840 2.1956 2.8457 2.8594 3.1057 3.1166 3.4165 3.4483 3.7534 3.7714 3.9016 3.9050 7.5057 7.5154 8.1472 8.1524 9.4404 9.4543 9.9780 9.9846 k = 0.0000 0.0000 0.2584 ( 4469 PWs) bands (ev): -8.5139 -8.5137 -7.2661 -7.2652 -7.2217 -7.2206 -7.0982 -7.0971 -3.3593 -3.3458 -3.3304 -3.3152 -2.7203 -2.7111 -2.6958 -2.6734 -2.6650 -2.6448 -1.2766 -1.2643 -0.0125 -0.0058 0.8763 0.8818 1.1466 1.1509 1.4306 1.4539 1.7794 1.7868 2.2122 2.2238 2.8354 2.8497 3.1228 3.1352 3.3746 3.4083 3.7320 3.7494 3.8979 3.9014 7.5678 7.5785 8.2246 8.2295 9.4561 9.4713 9.9557 9.9618 k = 0.0000 0.0000 0.2783 ( 4457 PWs) bands (ev): -8.4970 -8.4968 -7.2794 -7.2785 -7.2287 -7.2275 -7.1013 -7.1002 -3.3609 -3.3465 -3.3313 -3.3141 -2.7218 -2.7133 -2.6950 -2.6734 -2.6632 -2.6442 -1.2693 -1.2575 -0.0533 -0.0473 0.8753 0.8812 1.1980 1.2041 1.4419 1.4677 1.7637 1.7711 2.2397 2.2509 2.8235 2.8384 3.1378 3.1513 3.3422 3.3770 3.7101 3.7269 3.8944 3.8980 7.6283 7.6399 8.3047 8.3091 9.4650 9.4810 9.9397 9.9454 k = 0.0000 0.0000 0.2982 ( 4453 PWs) bands (ev): -8.4791 -8.4789 -7.2934 -7.2925 -7.2359 -7.2346 -7.1049 -7.1036 -3.3623 -3.3475 -3.3322 -3.3130 -2.7231 -2.7156 -2.6940 -2.6735 -2.6616 -2.6435 -1.2617 -1.2506 -0.0939 -0.0887 0.8763 0.8825 1.2482 1.2568 1.4408 1.4680 1.7607 1.7679 2.2653 2.2758 2.8101 2.8254 3.1501 3.1639 3.3210 3.3554 3.6885 3.7046 3.8912 3.8947 7.6871 7.6994 8.3862 8.3899 9.4658 9.4825 9.9303 9.9362 k = 0.0000 0.0000 0.3180 ( 4461 PWs) bands (ev): -8.4602 -8.4599 -7.3080 -7.3070 -7.2433 -7.2420 -7.1089 -7.1075 -3.3635 -3.3486 -3.3331 -3.3120 -2.7241 -2.7181 -2.6928 -2.6735 -2.6600 -2.6428 -1.2538 -1.2435 -0.1342 -0.1296 0.8794 0.8860 1.2903 1.3008 1.4346 1.4603 1.7713 1.7784 2.2876 2.2971 2.7961 2.8118 3.1597 3.1728 3.3111 3.3427 3.6681 3.6835 3.8883 3.8919 7.7443 7.7572 8.4675 8.4705 9.4580 9.4750 9.9273 9.9339 k = 0.0000 0.0000 0.3379 ( 4467 PWs) bands (ev): -8.4402 -8.4400 -7.3232 -7.3221 -7.2507 -7.2494 -7.1133 -7.1118 -3.3646 -3.3498 -3.3337 -3.3112 -2.7249 -2.7205 -2.6916 -2.6735 -2.6585 -2.6421 -1.2456 -1.2362 -0.1738 -0.1701 0.8848 0.8917 1.3059 1.3165 1.4471 1.4634 1.7926 1.7999 2.3052 2.3134 2.7839 2.7998 3.1671 3.1797 3.3096 3.3365 3.6502 3.6645 3.8860 3.8895 7.8001 7.8133 8.5471 8.5494 9.4419 9.4589 9.9301 9.9377 k = 0.0000 0.0000 0.3578 ( 4473 PWs) bands (ev): -8.4194 -8.4191 -7.3388 -7.3378 -7.2583 -7.2570 -7.1180 -7.1164 -3.3656 -3.3513 -3.3343 -3.3105 -2.7255 -2.7229 -2.6902 -2.6735 -2.6572 -2.6413 -1.2371 -1.2287 -0.2128 -0.2097 0.8925 0.8997 1.2817 1.2967 1.4883 1.4933 1.8207 1.8285 2.3172 2.3236 2.7762 2.7922 3.1728 3.1862 3.3125 3.3340 3.6362 3.6490 3.8843 3.8877 7.8544 7.8678 8.6231 8.6250 9.4183 9.4350 9.9371 9.9458 k = 0.0000 0.0000 0.3777 ( 4473 PWs) bands (ev): -8.3976 -8.3974 -7.3549 -7.3539 -7.2659 -7.2645 -7.1231 -7.1214 -3.3664 -3.3528 -3.3347 -3.3099 -2.7259 -2.7251 -2.6888 -2.6736 -2.6560 -2.6405 -1.2281 -1.2208 -0.2509 -0.2485 0.9025 0.9100 1.2370 1.2552 1.5387 1.5397 1.8532 1.8611 2.3234 2.3278 2.7753 2.7910 3.1772 3.1928 3.3161 3.3329 3.6272 3.6382 3.8835 3.8867 7.9071 7.9204 8.6938 8.6958 9.3883 9.4047 9.9467 9.9564 k = 0.0000 0.0000 0.3976 ( 4477 PWs) bands (ev): -8.3750 -8.3748 -7.3715 -7.3705 -7.2735 -7.2721 -7.1285 -7.1268 -3.3670 -3.3545 -3.3351 -3.3095 -2.7276 -2.7258 -2.6875 -2.6737 -2.6549 -2.6398 -1.2188 -1.2125 -0.2880 -0.2863 0.9147 0.9226 1.1840 1.2037 1.5869 1.5905 1.8882 1.8956 2.3260 2.3284 2.7818 2.7970 3.1801 3.1984 3.3181 3.3326 3.6238 3.6332 3.8836 3.8867 7.9581 7.9710 8.7574 8.7600 9.3538 9.3696 9.9571 9.9676 k = 0.0000 0.0000 0.4174 ( 4481 PWs) bands (ev): -8.3517 -8.3514 -7.3885 -7.3875 -7.2809 -7.2796 -7.1343 -7.1325 -3.3674 -3.3562 -3.3353 -3.3093 -2.7296 -2.7257 -2.6863 -2.6739 -2.6540 -2.6390 -1.2091 -1.2037 -0.3240 -0.3229 0.9290 0.9370 1.1273 1.1477 1.6309 1.6351 1.9242 1.9306 2.3279 2.3303 2.7947 2.8090 3.1810 3.2013 3.3188 3.3340 3.6256 3.6344 3.8850 3.8878 8.0069 8.0191 8.8116 8.8153 9.3167 9.3320 9.9665 9.9779 k = 0.0000 0.0000 0.4373 ( 4473 PWs) bands (ev): -8.3276 -8.3273 -7.4059 -7.4050 -7.2883 -7.2869 -7.1403 -7.1385 -3.3677 -3.3578 -3.3355 -3.3093 -2.7315 -2.7254 -2.6853 -2.6739 -2.6533 -2.6383 -1.1989 -1.1942 -0.3588 -0.3582 0.9444 0.9523 1.0701 1.0902 1.6663 1.6696 1.9593 1.9660 2.3339 2.3388 2.8119 2.8248 3.1791 3.2002 3.3206 3.3374 3.6318 3.6411 3.8877 3.8903 8.0528 8.0640 8.8536 8.8589 9.2805 9.2952 9.9738 9.9862 k = 0.0000 0.0000 0.4572 ( 4477 PWs) bands (ev): -8.3028 -8.3025 -7.4237 -7.4228 -7.2955 -7.2941 -7.1466 -7.1448 -3.3679 -3.3593 -3.3357 -3.3094 -2.7333 -2.7249 -2.6846 -2.6738 -2.6528 -2.6376 -1.1881 -1.1841 -0.3927 -0.3919 0.9566 0.9609 1.0209 1.0369 1.6886 1.6920 1.9919 2.0020 2.3495 2.3575 2.8304 2.8417 3.1749 3.1955 3.3259 3.3433 3.6416 3.6522 3.8919 3.8942 8.0948 8.1044 8.8798 8.8877 9.2496 9.2635 9.9782 9.9921 k = 0.0000 0.0000 0.4771 ( 4481 PWs) bands (ev): -8.2774 -8.2771 -7.4419 -7.4410 -7.3025 -7.3011 -7.1532 -7.1513 -3.3679 -3.3607 -3.3359 -3.3098 -2.7348 -2.7242 -2.6844 -2.6734 -2.6525 -2.6370 -1.1769 -1.1732 -0.4253 -0.4239 0.9297 0.9417 1.0121 1.0140 1.6957 1.7016 2.0223 2.0374 2.3773 2.3883 2.8471 2.8574 3.1694 3.1893 3.3351 3.3522 3.6540 3.6659 3.8976 3.8997 8.1311 8.1388 8.8875 8.8989 9.2284 9.2416 9.9800 9.9957 k = 0.0000 0.0000 0.4969 ( 4481 PWs) bands (ev): -8.2514 -8.2512 -7.4604 -7.4596 -7.3092 -7.3078 -7.1599 -7.1580 -3.3679 -3.3619 -3.3362 -3.3103 -2.7362 -2.7233 -2.6847 -2.6728 -2.6524 -2.6364 -1.1650 -1.1615 -0.4565 -0.4544 0.8741 0.8908 1.0264 1.0330 1.6893 1.6980 2.0515 2.0711 2.4168 2.4301 2.8595 2.8700 3.1646 3.1845 3.3479 3.3644 3.6679 3.6814 3.9049 3.9066 8.1595 8.1646 8.8780 8.8937 9.2187 9.2312 9.9793 9.9972 k = 0.0000 0.0000 0.5168 ( 4481 PWs) bands (ev): -8.2250 -8.2248 -7.4793 -7.4786 -7.3156 -7.3143 -7.1668 -7.1649 -3.3678 -3.3628 -3.3365 -3.3111 -2.7373 -2.7222 -2.6855 -2.6720 -2.6524 -2.6360 -1.1526 -1.1491 -0.4861 -0.4833 0.8155 0.8327 1.0502 1.0583 1.6724 1.6835 2.0798 2.1024 2.4646 2.4797 2.8668 2.8791 3.1620 3.1830 3.3638 3.3801 3.6826 3.6975 3.9136 3.9150 8.1766 8.1789 8.8583 8.8784 9.2175 9.2295 9.9769 9.9968 k = 0.0000 0.0000 0.5367 ( 4477 PWs) bands (ev): -8.1981 -8.1979 -7.4986 -7.4979 -7.3217 -7.3204 -7.1738 -7.1719 -3.3678 -3.3632 -3.3369 -3.3120 -2.7382 -2.7211 -2.6868 -2.6712 -2.6526 -2.6356 -1.1396 -1.1359 -0.5141 -0.5105 0.7570 0.7738 1.0775 1.0864 1.6483 1.6610 2.1064 2.1308 2.5161 2.5326 2.8707 2.8855 3.1625 3.1848 3.3829 3.3996 3.6975 3.7138 3.9236 3.9247 8.1785 8.1791 8.8381 8.8622 9.2195 9.2315 9.9736 9.9952 k = 0.0000 0.0000 0.5566 ( 4485 PWs) bands (ev): -8.1709 -8.1707 -7.5182 -7.5176 -7.3275 -7.3262 -7.1807 -7.1790 -3.3678 -3.3633 -3.3373 -3.3132 -2.7389 -2.7197 -2.6884 -2.6703 -2.6528 -2.6354 -1.1260 -1.1220 -0.5404 -0.5361 0.6996 0.7158 1.1069 1.1166 1.6197 1.6338 2.1305 2.1555 2.5660 2.5833 2.8756 2.8924 3.1655 3.1890 3.4053 3.4229 3.7121 3.7297 3.9346 3.9355 8.1610 8.1638 8.8255 8.8527 9.2208 9.2329 9.9704 9.9934 k = 0.0000 0.0000 0.5765 ( 4489 PWs) bands (ev): -8.1434 -8.1432 -7.5383 -7.5376 -7.3329 -7.3316 -7.1877 -7.1859 -3.3679 -3.3630 -3.3379 -3.3146 -2.7393 -2.7183 -2.6902 -2.6697 -2.6530 -2.6353 -1.1118 -1.1076 -0.5649 -0.5599 0.6440 0.6593 1.1378 1.1484 1.5890 1.6044 2.1506 2.1756 2.6089 2.6260 2.8868 2.9048 3.1701 3.1947 3.4309 3.4499 3.7261 3.7449 3.9462 3.9470 8.1265 8.1304 8.8249 8.8538 9.2188 9.2311 9.9689 9.9927 k = 0.0000 0.0000 0.5963 ( 4489 PWs) bands (ev): -8.1157 -8.1155 -7.5587 -7.5581 -7.3378 -7.3367 -7.1945 -7.1928 -3.3679 -3.3624 -3.3385 -3.3162 -2.7395 -2.7169 -2.6922 -2.6694 -2.6531 -2.6353 -1.0971 -1.0928 -0.5876 -0.5818 0.5904 0.6047 1.1695 1.1814 1.5579 1.5749 2.1656 2.1899 2.6411 2.6564 2.9077 2.9260 3.1762 3.2022 3.4594 3.4799 3.7390 3.7591 3.9582 3.9590 8.0773 8.0814 8.8364 8.8658 9.2126 9.2249 9.9702 9.9943 k = 0.0000 0.0000 0.6162 ( 4503 PWs) bands (ev): -8.0879 -8.0876 -7.5796 -7.5789 -7.3424 -7.3412 -7.2011 -7.1995 -3.3677 -3.3615 -3.3393 -3.3180 -2.7395 -2.7154 -2.6943 -2.6695 -2.6530 -2.6354 -1.0821 -1.0778 -0.6084 -0.6020 0.5393 0.5525 1.2014 1.2148 1.5281 1.5468 2.1743 2.1974 2.6631 2.6755 2.9357 2.9546 3.1853 3.2130 3.4902 3.5121 3.7508 3.7720 3.9702 3.9711 8.0176 8.0212 8.8577 8.8866 9.2021 9.2144 9.9749 9.9991 k = 0.0000 0.0000 0.6361 ( 4497 PWs) bands (ev): -8.0599 -8.0596 -7.6009 -7.6002 -7.3465 -7.3454 -7.2074 -7.2059 -3.3674 -3.3605 -3.3401 -3.3199 -2.7391 -2.7139 -2.6964 -2.6701 -2.6526 -2.6356 -1.0671 -1.0627 -0.6272 -0.6203 0.4911 0.5031 1.2325 1.2479 1.5009 1.5219 2.1757 2.1973 2.6790 2.6885 2.9633 2.9833 3.2009 3.2297 3.5222 3.5455 3.7612 3.7835 3.9820 3.9830 7.9516 7.9543 8.8856 8.9134 9.1879 9.2002 9.9833 10.0074 k = 0.0000 0.0000 0.6560 ( 4501 PWs) bands (ev): -8.0320 -8.0316 -7.6226 -7.6219 -7.3501 -7.3491 -7.2133 -7.2120 -3.3669 -3.3594 -3.3410 -3.3220 -2.7386 -2.7128 -2.6983 -2.6712 -2.6520 -2.6360 -1.0522 -1.0478 -0.6441 -0.6368 0.4462 0.4570 1.2611 1.2793 1.4780 1.5019 2.1698 2.1896 2.6933 2.7007 2.9832 3.0037 3.2265 3.2547 3.5546 3.5791 3.7699 3.7932 3.9933 3.9943 7.8831 7.8851 8.9170 8.9434 9.1714 9.1836 9.9951 10.0187 k = 0.0000 0.0000 0.6758 ( 4509 PWs) bands (ev): -8.0041 -8.0037 -7.6448 -7.6441 -7.3533 -7.3524 -7.2188 -7.2176 -3.3662 -3.3582 -3.3419 -3.3242 -2.7377 -2.7121 -2.6996 -2.6727 -2.6511 -2.6365 -1.0378 -1.0335 -0.6589 -0.6514 0.4051 0.4146 1.2852 1.3062 1.4620 1.4889 2.1572 2.1749 2.7088 2.7151 2.9922 3.0115 3.2622 3.2876 3.5866 3.6120 3.7768 3.8011 4.0038 4.0048 7.8154 7.8168 8.9493 8.9741 9.1541 9.1664 10.0099 10.0326 k = 0.0000 0.0000 0.6957 ( 4505 PWs) bands (ev): -7.9763 -7.9759 -7.6674 -7.6667 -7.3560 -7.3552 -7.2238 -7.2227 -3.3653 -3.3571 -3.3427 -3.3265 -2.7367 -2.7125 -2.6999 -2.6745 -2.6500 -2.6371 -1.0242 -1.0200 -0.6717 -0.6642 0.3682 0.3764 1.3023 1.3246 1.4569 1.4851 2.1392 2.1549 2.7266 2.7330 2.9910 3.0084 3.3037 3.3252 3.6174 3.6435 3.7817 3.8068 4.0133 4.0142 7.7512 7.7523 8.9797 9.0026 9.1382 9.1506 10.0266 10.0480 k = 0.0000 0.0000 0.7156 ( 4491 PWs) bands (ev): -7.9488 -7.9483 -7.6905 -7.6898 -7.3583 -7.3576 -7.2281 -7.2272 -3.3642 -3.3561 -3.3434 -3.3288 -2.7353 -2.7138 -2.6992 -2.6765 -2.6489 -2.6378 -1.0117 -1.0078 -0.6823 -0.6751 0.3359 0.3429 1.3113 1.3314 1.4651 1.4910 2.1178 2.1314 2.7471 2.7540 2.9819 2.9974 3.3460 3.3635 3.6463 3.6729 3.7844 3.8102 4.0216 4.0225 7.6928 7.6939 9.0052 9.0254 9.1270 9.1390 10.0444 10.0637 k = 0.0000 0.0000 0.7355 ( 4477 PWs) bands (ev): -7.9215 -7.9210 -7.7141 -7.7133 -7.3602 -7.3596 -7.2318 -7.2310 -3.3629 -3.3554 -3.3437 -3.3311 -2.7337 -2.7158 -2.6976 -2.6788 -2.6476 -2.6386 -1.0007 -0.9972 -0.6907 -0.6843 0.3089 0.3145 1.3136 1.3292 1.4831 1.5041 2.0953 2.1067 2.7698 2.7774 2.9672 2.9811 3.3851 3.3987 3.6728 3.6997 3.7849 3.8110 4.0287 4.0295 7.6423 7.6433 9.0226 9.0383 9.1243 9.1344 10.0622 10.0783 k = 0.0000 0.0000 0.7554 ( 4483 PWs) bands (ev): -7.8946 -7.8940 -7.7380 -7.7373 -7.3616 -7.3611 -7.2346 -7.2341 -3.3616 -3.3552 -3.3436 -3.3335 -2.7320 -2.7181 -2.6957 -2.6812 -2.6464 -2.6395 -0.9916 -0.9887 -0.6969 -0.6917 0.2875 0.2917 1.3125 1.3233 1.5044 1.5199 2.0741 2.0831 2.7941 2.8023 2.9486 2.9612 3.4182 3.4283 3.6966 3.7230 3.7833 3.8092 4.0343 4.0349 7.6012 7.6022 9.0304 9.0405 9.1305 9.1376 10.0783 10.0907 k = 0.0000 0.0000 0.7752 ( 4494 PWs) bands (ev): -7.8682 -7.8676 -7.7622 -7.7615 -7.3625 -7.3622 -7.2367 -7.2363 -3.3602 -3.3555 -3.3428 -3.3357 -2.7300 -2.7206 -2.6935 -2.6837 -2.6452 -2.6405 -0.9846 -0.9825 -0.7010 -0.6973 0.2720 0.2749 1.3104 1.3172 1.5239 1.5342 2.0569 2.0632 2.8190 2.8277 2.9278 2.9392 3.4435 3.4502 3.7172 3.7414 3.7807 3.8046 4.0384 4.0389 7.5710 7.5717 9.0317 9.0373 9.1403 9.1447 10.0910 10.1000 k = 0.0000 0.0000 0.7951 ( 4486 PWs) bands (ev): -7.8430 -7.8424 -7.7861 -7.7855 -7.3631 -7.3629 -7.2379 -7.2377 -3.3588 -3.3564 -3.3415 -3.3379 -2.7278 -2.7231 -2.6911 -2.6861 -2.6439 -2.6416 -0.9800 -0.9790 -0.7030 -0.7010 0.2629 0.2644 1.3092 1.3125 1.5381 1.5432 2.0460 2.0493 2.8432 2.8511 2.9073 2.9165 3.4599 3.4632 3.7341 3.7506 3.7811 3.7974 4.0410 4.0412 7.5526 7.5530 9.0310 9.0335 9.1484 9.1506 10.0989 10.1045 k = 0.0000 0.0000 0.8150 ( 4478 PWs) bands (ev): -7.8259 -7.8259 -7.8021 -7.8021 -7.3632 -7.3632 -7.2383 -7.2383 -3.3575 -3.3575 -3.3398 -3.3398 -2.7255 -2.7255 -2.6886 -2.6886 -2.6427 -2.6427 -0.9781 -0.9781 -0.7030 -0.7030 0.2603 0.2603 1.3098 1.3098 1.5448 1.5448 2.0433 2.0433 2.8603 2.8603 2.8995 2.8995 3.4665 3.4665 3.7465 3.7465 3.7884 3.7884 4.0419 4.0419 7.5466 7.5466 9.0313 9.0313 9.1521 9.1521 10.1032 10.1032 k = 0.0000 0.0000 0.8150 ( 4478 PWs) bands (ev): -7.8259 -7.8259 -7.8021 -7.8021 -7.3632 -7.3632 -7.2383 -7.2383 -3.3575 -3.3575 -3.3398 -3.3398 -2.7255 -2.7255 -2.6886 -2.6886 -2.6427 -2.6427 -0.9781 -0.9781 -0.7030 -0.7030 0.2603 0.2603 1.3098 1.3098 1.5448 1.5448 2.0433 2.0433 2.8603 2.8603 2.8995 2.8995 3.4665 3.4665 3.7465 3.7465 3.7884 3.7884 4.0419 4.0419 7.5466 7.5466 9.0313 9.0313 9.1521 9.1521 10.1032 10.1032 k =-0.0116 0.0149 0.8150 ( 4486 PWs) bands (ev): -7.8263 -7.8262 -7.8020 -7.8019 -7.3631 -7.3631 -7.2385 -7.2383 -3.3587 -3.3565 -3.3433 -3.3366 -2.7281 -2.7237 -2.6919 -2.6853 -2.6444 -2.6413 -0.9760 -0.9754 -0.7020 -0.7016 0.2599 0.2606 1.3094 1.3103 1.5444 1.5454 2.0429 2.0438 2.8545 2.8603 2.8965 2.9016 3.4652 3.4663 3.7452 3.7466 3.7872 3.7887 4.0410 4.0415 7.5485 7.5488 9.0309 9.0324 9.1532 9.1589 10.0971 10.1036 k =-0.0232 0.0299 0.8150 ( 4486 PWs) bands (ev): -7.8272 -7.8271 -7.8014 -7.8012 -7.3629 -7.3627 -7.2390 -7.2386 -3.3602 -3.3559 -3.3467 -3.3337 -2.7315 -2.7227 -2.6948 -2.6820 -2.6465 -2.6403 -0.9691 -0.9679 -0.6987 -0.6979 0.2592 0.2605 1.3092 1.3109 1.5442 1.5463 2.0427 2.0445 2.8441 2.8537 2.8935 2.9020 3.4626 3.4648 3.7429 3.7456 3.7850 3.7880 4.0388 4.0398 7.5546 7.5552 9.0318 9.0343 9.1621 9.1731 10.0849 10.0959 k =-0.0348 0.0448 0.8150 ( 4482 PWs) bands (ev): -7.8288 -7.8286 -7.8005 -7.8002 -7.3624 -7.3621 -7.2397 -7.2392 -3.3621 -3.3561 -3.3495 -3.3313 -2.7358 -2.7225 -2.6971 -2.6790 -2.6488 -2.6395 -0.9575 -0.9556 -0.6930 -0.6918 0.2582 0.2602 1.3090 1.3116 1.5442 1.5473 2.0426 2.0453 2.8296 2.8411 2.8902 2.9000 3.4586 3.4619 3.7395 3.7436 3.7820 3.7864 4.0352 4.0368 7.5647 7.5657 9.0345 9.0374 9.1779 9.1933 10.0657 10.0797 k =-0.0464 0.0598 0.8150 ( 4480 PWs) bands (ev): -7.8309 -7.8307 -7.7992 -7.7989 -7.3617 -7.3613 -7.2407 -7.2401 -3.3644 -3.3576 -3.3509 -3.3292 -2.7408 -2.7230 -2.6987 -2.6763 -2.6513 -2.6392 -0.9413 -0.9388 -0.6851 -0.6835 0.2570 0.2597 1.3090 1.3124 1.5445 1.5487 2.0427 2.0463 2.8116 2.8235 2.8858 2.8955 3.4535 3.4577 3.7352 3.7405 3.7781 3.7838 4.0303 4.0325 7.5787 7.5801 9.0392 9.0419 9.1990 9.2183 10.0403 10.0568 k =-0.0580 0.0747 0.8150 ( 4478 PWs) bands (ev): -7.8335 -7.8332 -7.7977 -7.7974 -7.3607 -7.3603 -7.2419 -7.2412 -3.3675 -3.3599 -3.3512 -3.3277 -2.7466 -2.7242 -2.6996 -2.6739 -2.6541 -2.6391 -0.9207 -0.9176 -0.6749 -0.6730 0.2555 0.2588 1.3090 1.3132 1.5450 1.5503 2.0429 2.0474 2.7903 2.8018 2.8798 2.8888 3.4472 3.4524 3.7299 3.7364 3.7734 3.7804 4.0241 4.0268 7.5963 7.5982 9.0459 9.0481 9.2239 9.2464 10.0101 10.0289 k =-0.0696 0.0896 0.8150 ( 4478 PWs) bands (ev): -7.8365 -7.8363 -7.7960 -7.7956 -7.3594 -7.3590 -7.2433 -7.2424 -3.3713 -3.3623 -3.3511 -3.3266 -2.7529 -2.7260 -2.7001 -2.6720 -2.6570 -2.6395 -0.8959 -0.8923 -0.6627 -0.6604 0.2537 0.2576 1.3091 1.3142 1.5458 1.5521 2.0431 2.0486 2.7661 2.7766 2.8721 2.8799 3.4400 3.4461 3.7239 3.7313 3.7679 3.7761 4.0166 4.0199 7.6173 7.6197 9.0540 9.0556 9.2507 9.2758 9.9770 9.9977 k =-0.0812 0.1046 0.8150 ( 4474 PWs) bands (ev): -7.8401 -7.8399 -7.7942 -7.7938 -7.3579 -7.3574 -7.2449 -7.2439 -3.3756 -3.3644 -3.3509 -3.3260 -2.7595 -2.7281 -2.7002 -2.6704 -2.6600 -2.6401 -0.8672 -0.8632 -0.6485 -0.6458 0.2516 0.2561 1.3092 1.3151 1.5469 1.5543 2.0433 2.0497 2.7391 2.7484 2.8628 2.8693 3.4319 3.4389 3.7173 3.7255 3.7616 3.7709 4.0078 4.0117 7.6414 7.6443 9.0629 9.0636 9.2777 9.3044 9.9425 9.9649 k =-0.0929 0.1195 0.8150 ( 4478 PWs) bands (ev): -7.8441 -7.8439 -7.7923 -7.7918 -7.3561 -7.3555 -7.2465 -7.2454 -3.3800 -3.3664 -3.3508 -3.3258 -2.7663 -2.7306 -2.7001 -2.6691 -2.6631 -2.6410 -0.8350 -0.8306 -0.6324 -0.6294 0.2491 0.2542 1.3094 1.3161 1.5484 1.5568 2.0435 2.0509 2.7099 2.7177 2.8521 2.8572 3.4231 3.4309 3.7100 3.7189 3.7546 3.7650 3.9978 4.0023 7.6681 7.6716 9.0707 9.0713 9.3030 9.3302 9.9082 9.9320 k =-0.1045 0.1345 0.8150 ( 4472 PWs) bands (ev): -7.8486 -7.8484 -7.7903 -7.7898 -7.3539 -7.3533 -7.2482 -7.2471 -3.3845 -3.3683 -3.3509 -3.3260 -2.7730 -2.7333 -2.7000 -2.6681 -2.6661 -2.6422 -0.7996 -0.7949 -0.6146 -0.6113 0.2464 0.2520 1.3096 1.3171 1.5503 1.5598 2.0436 2.0519 2.6788 2.6851 2.8401 2.8442 3.4137 3.4223 3.7021 3.7117 3.7470 3.7584 3.9866 3.9917 7.6971 7.7012 9.0756 9.0772 9.3250 9.3514 9.8750 9.9003 k =-0.1161 0.1494 0.8150 ( 4472 PWs) bands (ev): -7.8536 -7.8533 -7.7883 -7.7878 -7.3514 -7.3507 -7.2499 -7.2487 -3.3889 -3.3703 -3.3511 -3.3266 -2.7796 -2.7363 -2.6999 -2.6693 -2.6672 -2.6435 -0.7615 -0.7565 -0.5954 -0.5917 0.2434 0.2494 1.3098 1.3181 1.5526 1.5631 2.0436 2.0528 2.6463 2.6510 2.8270 2.8308 3.4038 3.4130 3.6939 3.7039 3.7386 3.7511 3.9744 3.9801 7.7281 7.7328 9.0761 9.0786 9.3426 9.3669 9.8435 9.8704 k =-0.1277 0.1643 0.8150 ( 4474 PWs) bands (ev): -7.8590 -7.8587 -7.7863 -7.7859 -7.3485 -7.3478 -7.2515 -7.2503 -3.3931 -3.3722 -3.3515 -3.3275 -2.7859 -2.7394 -2.6999 -2.6723 -2.6666 -2.6451 -0.7211 -0.7160 -0.5748 -0.5707 0.2403 0.2465 1.3102 1.3192 1.5554 1.5670 2.0433 2.0535 2.6128 2.6161 2.8131 2.8173 3.3933 3.4031 3.6853 3.6957 3.7298 3.7433 3.9612 3.9676 7.7604 7.7658 9.0698 9.0729 9.3555 9.3770 9.8130 9.8418 k =-0.1393 0.1793 0.8150 ( 4482 PWs) bands (ev): -7.8648 -7.8646 -7.7844 -7.7840 -7.3452 -7.3445 -7.2531 -7.2518 -3.3970 -3.3743 -3.3521 -3.3286 -2.7918 -2.7428 -2.7000 -2.6751 -2.6662 -2.6467 -0.6791 -0.6739 -0.5531 -0.5487 0.2371 0.2434 1.3107 1.3204 1.5588 1.5713 2.0428 2.0539 2.5785 2.5811 2.7987 2.8040 3.3824 3.3926 3.6764 3.6870 3.7204 3.7351 3.9473 3.9543 7.7938 7.7998 9.0547 9.0581 9.3636 9.3825 9.7826 9.8130 k =-0.1509 0.1942 0.8150 ( 4478 PWs) bands (ev): -7.8710 -7.8708 -7.7827 -7.7823 -7.3416 -7.3408 -7.2544 -7.2532 -3.4006 -3.3763 -3.3529 -3.3298 -2.7972 -2.7463 -2.7002 -2.6779 -2.6659 -2.6485 -0.6360 -0.6307 -0.5306 -0.5258 0.2341 0.2403 1.3114 1.3218 1.5629 1.5763 2.0419 2.0540 2.5440 2.5465 2.7844 2.7910 3.3709 3.3817 3.6671 3.6780 3.7107 3.7265 3.9327 3.9403 7.8276 7.8344 9.0299 9.0331 9.3664 9.3836 9.7507 9.7821 k =-0.1509 0.1942 0.8150 ( 4478 PWs) bands (ev): -7.8710 -7.8708 -7.7827 -7.7823 -7.3416 -7.3408 -7.2544 -7.2532 -3.4006 -3.3763 -3.3529 -3.3298 -2.7972 -2.7463 -2.7002 -2.6779 -2.6659 -2.6485 -0.6360 -0.6307 -0.5306 -0.5258 0.2341 0.2403 1.3114 1.3218 1.5629 1.5763 2.0419 2.0540 2.5440 2.5465 2.7844 2.7910 3.3709 3.3817 3.6671 3.6780 3.7107 3.7265 3.9327 3.9403 7.8276 7.8344 9.0299 9.0331 9.3664 9.3836 9.7507 9.7821 k =-0.1596 0.2055 0.8008 ( 4484 PWs) bands (ev): -7.8747 -7.8744 -7.7846 -7.7843 -7.3325 -7.3317 -7.2595 -7.2583 -3.4029 -3.3772 -3.3533 -3.3321 -2.8001 -2.7500 -2.6994 -2.6797 -2.6668 -2.6503 -0.6107 -0.6043 -0.5037 -0.4955 0.2291 0.2344 1.3159 1.3260 1.5555 1.5691 2.0500 2.0607 2.5073 2.5109 2.7894 2.7953 3.3520 3.3622 3.6637 3.6750 3.7147 3.7361 3.9080 3.9163 7.8493 7.8565 9.0090 9.0123 9.3622 9.3778 9.7230 9.7552 k =-0.1683 0.2167 0.7865 ( 4480 PWs) bands (ev): -7.8823 -7.8820 -7.7831 -7.7828 -7.3227 -7.3220 -7.2644 -7.2633 -3.4050 -3.3781 -3.3537 -3.3344 -2.8026 -2.7538 -2.6986 -2.6814 -2.6676 -2.6521 -0.5944 -0.5849 -0.4687 -0.4577 0.2279 0.2321 1.3213 1.3312 1.5436 1.5575 2.0607 2.0701 2.4737 2.4782 2.7936 2.7990 3.3245 3.3340 3.6604 3.6714 3.7199 3.7457 3.8834 3.8926 7.8748 7.8825 8.9814 8.9849 9.3552 9.3702 9.6972 9.7293 k =-0.1771 0.2279 0.7723 ( 4486 PWs) bands (ev): -7.8926 -7.8922 -7.7796 -7.7793 -7.3125 -7.3120 -7.2689 -7.2679 -3.4068 -3.3792 -3.3539 -3.3367 -2.8047 -2.7575 -2.6979 -2.6832 -2.6686 -2.6539 -0.5843 -0.5720 -0.4276 -0.4148 0.2306 0.2337 1.3273 1.3374 1.5280 1.5424 2.0722 2.0808 2.4446 2.4495 2.7968 2.8017 3.2898 3.2987 3.6553 3.6660 3.7247 3.7541 3.8611 3.8716 7.9036 7.9118 8.9481 8.9520 9.3445 9.3597 9.6742 9.7052 k =-0.1858 0.2392 0.7581 ( 4487 PWs) bands (ev): -7.9041 -7.9037 -7.7753 -7.7749 -7.3028 -7.3027 -7.2722 -7.2715 -3.4085 -3.3803 -3.3541 -3.3390 -2.8064 -2.7613 -2.6971 -2.6848 -2.6697 -2.6555 -0.5785 -0.5638 -0.3828 -0.3691 0.2374 0.2392 1.3336 1.3443 1.5098 1.5246 2.0826 2.0906 2.4213 2.4264 2.7986 2.8032 3.2497 3.2581 3.6456 3.6564 3.7280 3.7593 3.8451 3.8563 7.9348 7.9435 8.9104 8.9150 9.3288 9.3444 9.6550 9.6843 k =-0.1945 0.2504 0.7439 ( 4489 PWs) bands (ev): -7.9161 -7.9157 -7.7707 -7.7703 -7.2963 -7.2958 -7.2722 -7.2719 -3.4100 -3.3815 -3.3542 -3.3411 -2.8077 -2.7650 -2.6965 -2.6863 -2.6708 -2.6569 -0.5758 -0.5591 -0.3361 -0.3219 0.2482 0.2489 1.3398 1.3515 1.4902 1.5053 2.0897 2.0975 2.4056 2.4104 2.7985 2.8030 3.2059 3.2141 3.6293 3.6403 3.7294 3.7587 3.8397 3.8489 7.9677 7.9770 8.8701 8.8754 9.3075 9.3235 9.6403 9.6673 k =-0.2033 0.2616 0.7296 ( 4491 PWs) bands (ev): -7.9282 -7.9278 -7.7662 -7.7658 -7.2955 -7.2945 -7.2665 -7.2661 -3.4112 -3.3828 -3.3545 -3.3430 -2.8086 -2.7686 -2.6960 -2.6876 -2.6720 -2.6582 -0.5756 -0.5572 -0.2886 -0.2743 0.2621 0.2632 1.3449 1.3584 1.4703 1.4858 2.0917 2.0999 2.3985 2.4026 2.7959 2.8005 3.1601 3.1684 3.6053 3.6167 3.7294 3.7535 3.8447 3.8497 8.0015 8.0112 8.8287 8.8348 9.2805 9.2967 9.6302 9.6549 k =-0.2120 0.2729 0.7154 ( 4499 PWs) bands (ev): -7.9400 -7.9396 -7.7620 -7.7615 -7.2984 -7.2973 -7.2568 -7.2563 -3.4123 -3.3842 -3.3552 -3.3444 -2.8092 -2.7721 -2.6959 -2.6888 -2.6731 -2.6592 -0.5774 -0.5575 -0.2412 -0.2269 0.2794 0.2816 1.3473 1.3637 1.4522 1.4684 2.0877 2.0969 2.4001 2.4037 2.7898 2.7949 3.1142 3.1229 3.5749 3.5866 3.7285 3.7471 3.8554 3.8575 8.0352 8.0454 8.7878 8.7944 9.2488 9.2649 9.6248 9.6471 k =-0.2207 0.2841 0.7012 ( 4492 PWs) bands (ev): -7.9513 -7.9510 -7.7581 -7.7575 -7.3026 -7.3014 -7.2456 -7.2452 -3.4132 -3.3856 -3.3563 -3.3451 -2.8095 -2.7752 -2.6961 -2.6899 -2.6739 -2.6601 -0.5810 -0.5598 -0.1944 -0.1802 0.2999 0.3033 1.3445 1.3645 1.4386 1.4565 2.0785 2.0892 2.4089 2.4128 2.7789 2.7851 3.0703 3.0798 3.5398 3.5518 3.7268 3.7414 3.8671 3.8714 8.0679 8.0787 8.7486 8.7557 9.2138 9.2296 9.6238 9.6438 k =-0.2294 0.2953 0.6870 ( 4501 PWs) bands (ev): -7.9621 -7.9617 -7.7545 -7.7539 -7.3072 -7.3061 -7.2342 -7.2339 -3.4138 -3.3871 -3.3579 -3.3451 -2.8097 -2.7780 -2.6966 -2.6912 -2.6742 -2.6609 -0.5859 -0.5636 -0.1488 -0.1349 0.3233 0.3278 1.3349 1.3572 1.4334 1.4523 2.0654 2.0779 2.4228 2.4281 2.7620 2.7697 3.0305 3.0414 3.5020 3.5142 3.7245 3.7364 3.8806 3.8873 8.0986 8.1099 8.7123 8.7198 9.1768 9.1921 9.6269 9.6448 k =-0.2382 0.3066 0.6727 ( 4501 PWs) bands (ev): -7.9722 -7.9718 -7.7512 -7.7505 -7.3120 -7.3108 -7.2230 -7.2226 -3.4143 -3.3886 -3.3598 -3.3446 -2.8098 -2.7803 -2.6972 -2.6928 -2.6740 -2.6615 -0.5917 -0.5687 -0.1049 -0.0915 0.3489 0.3545 1.3198 1.3420 1.4368 1.4556 2.0502 2.0645 2.4397 2.4470 2.7386 2.7478 2.9969 3.0094 3.4629 3.4753 3.7217 3.7318 3.8955 3.9038 8.1264 8.1383 8.6801 8.6878 9.1391 9.1536 9.6339 9.6497 k =-0.2469 0.3178 0.6585 ( 4505 PWs) bands (ev): -7.9815 -7.9812 -7.7481 -7.7474 -7.3167 -7.3156 -7.2122 -7.2118 -3.4147 -3.3901 -3.3620 -3.3437 -2.8102 -2.7819 -2.6979 -2.6948 -2.6733 -2.6620 -0.5984 -0.5748 -0.0631 -0.0502 0.3760 0.3826 1.3016 1.3226 1.4456 1.4640 2.0343 2.0503 2.4569 2.4665 2.7102 2.7200 2.9705 2.9844 3.4238 3.4364 3.7182 3.7275 3.9110 3.9203 8.1505 8.1630 8.6529 8.6607 9.1015 9.1154 9.6443 9.6582 k =-0.2556 0.3290 0.6443 ( 4499 PWs) bands (ev): -7.9901 -7.9898 -7.7453 -7.7446 -7.3213 -7.3202 -7.2020 -7.2016 -3.4149 -3.3916 -3.3643 -3.3425 -2.8108 -2.7826 -2.6986 -2.6971 -2.6722 -2.6624 -0.6054 -0.5815 -0.0240 -0.0116 0.4036 0.4111 1.2828 1.3021 1.4575 1.4758 2.0185 2.0362 2.4706 2.4828 2.6807 2.6899 2.9505 2.9656 3.3856 3.3983 3.7141 3.7232 3.9266 3.9366 8.1703 8.1836 8.6317 8.6393 9.0651 9.0782 9.6575 9.6695 k =-0.2643 0.3403 0.6301 ( 4497 PWs) bands (ev): -7.9978 -7.9975 -7.7427 -7.7419 -7.3258 -7.3247 -7.1926 -7.1921 -3.4151 -3.3930 -3.3665 -3.3412 -2.8119 -2.7824 -2.7003 -2.6987 -2.6709 -2.6627 -0.6126 -0.5885 0.0122 0.0239 0.4309 0.4390 1.2649 1.2824 1.4714 1.4899 2.0036 2.0227 2.4747 2.4896 2.6575 2.6649 2.9355 2.9515 3.3490 3.3618 3.7097 3.7188 3.9421 3.9522 8.1857 8.1996 8.6167 8.6242 9.0303 9.0428 9.6723 9.6825 k =-0.2731 0.3515 0.6158 ( 4489 PWs) bands (ev): -8.0046 -8.0043 -7.7402 -7.7393 -7.3301 -7.3290 -7.1841 -7.1835 -3.4151 -3.3943 -3.3687 -3.3397 -2.8133 -2.7814 -2.7032 -2.6992 -2.6693 -2.6628 -0.6198 -0.5957 0.0451 0.0561 0.4566 0.4653 1.2490 1.2646 1.4869 1.5058 1.9900 2.0103 2.4625 2.4794 2.6486 2.6546 2.9236 2.9406 3.3148 3.3277 3.7049 3.7144 3.9570 3.9671 8.1968 8.2116 8.6080 8.6153 8.9978 9.0095 9.6870 9.6959 k =-0.2818 0.3627 0.6016 ( 4487 PWs) bands (ev): -8.0105 -8.0103 -7.7378 -7.7369 -7.3341 -7.3331 -7.1765 -7.1758 -3.4151 -3.3955 -3.3707 -3.3382 -2.8151 -2.7796 -2.7063 -2.6994 -2.6678 -2.6629 -0.6266 -0.6027 0.0741 0.0845 0.4796 0.4886 1.2362 1.2496 1.5037 1.5232 1.9778 1.9991 2.4340 2.4514 2.6546 2.6621 2.9134 2.9316 3.2836 3.2965 3.6999 3.7098 3.9712 3.9809 8.2048 8.2202 8.6051 8.6121 8.9677 8.9787 9.6990 9.7081 k =-0.2905 0.3740 0.5874 ( 4488 PWs) bands (ev): -8.0155 -8.0153 -7.7355 -7.7346 -7.3380 -7.3370 -7.1700 -7.1692 -3.4152 -3.3966 -3.3727 -3.3367 -2.8171 -2.7772 -2.7096 -2.6995 -2.6664 -2.6626 -0.6330 -0.6094 0.0990 0.1088 0.4988 0.5081 1.2271 1.2380 1.5220 1.5422 1.9672 1.9890 2.3958 2.4128 2.6708 2.6808 2.9038 2.9235 3.2559 3.2689 3.6949 3.7052 3.9845 3.9936 8.2107 8.2268 8.6072 8.6139 8.9403 8.9507 9.7058 9.7167 k =-0.2993 0.3852 0.5731 ( 4493 PWs) bands (ev): -8.0196 -8.0193 -7.7333 -7.7324 -7.3416 -7.3406 -7.1645 -7.1637 -3.4152 -3.3974 -3.3744 -3.3351 -2.8191 -2.7744 -2.7129 -2.6995 -2.6654 -2.6620 -0.6387 -0.6156 0.1192 0.1287 0.5135 0.5228 1.2220 1.2302 1.5416 1.5626 1.9580 1.9798 2.3542 2.3705 2.6923 2.7048 2.8943 2.9158 3.2324 3.2453 3.6898 3.7006 3.9966 4.0050 8.2161 8.2328 8.6131 8.6197 8.9158 8.9255 9.7051 9.7188 k =-0.3080 0.3964 0.5589 ( 4489 PWs) bands (ev): -8.0226 -8.0224 -7.7312 -7.7303 -7.3450 -7.3440 -7.1602 -7.1593 -3.4154 -3.3980 -3.3760 -3.3336 -2.8210 -2.7712 -2.7163 -2.6992 -2.6648 -2.6608 -0.6436 -0.6212 0.1344 0.1436 0.5231 0.5323 1.2208 1.2264 1.5626 1.5844 1.9499 1.9710 2.3131 2.3285 2.7163 2.7313 2.8845 2.9081 3.2134 3.2262 3.6848 3.6961 4.0074 4.0149 8.2223 8.2393 8.6219 8.6285 8.8940 8.9033 9.6953 9.7114 k =-0.3167 0.4077 0.5447 ( 4489 PWs) bands (ev): -8.0247 -8.0246 -7.7292 -7.7282 -7.3481 -7.3471 -7.1570 -7.1561 -3.4156 -3.3985 -3.3773 -3.3322 -2.8229 -2.7678 -2.7197 -2.6989 -2.6645 -2.6594 -0.6477 -0.6259 0.1441 0.1532 0.5275 0.5367 1.2232 1.2263 1.5850 1.6076 1.9423 1.9620 2.2753 2.2897 2.7411 2.7587 2.8741 2.9002 3.1993 3.2118 3.6801 3.6918 4.0168 4.0233 8.2304 8.2476 8.6327 8.6394 8.8751 8.8839 9.6758 9.6931 k =-0.3254 0.4189 0.5305 ( 4494 PWs) bands (ev): -8.0259 -8.0257 -7.7272 -7.7263 -7.3509 -7.3499 -7.1550 -7.1541 -3.4159 -3.3987 -3.3783 -3.3308 -2.8246 -2.7642 -2.7231 -2.6984 -2.6643 -2.6579 -0.6507 -0.6297 0.1480 0.1571 0.5272 0.5363 1.2281 1.2297 1.6086 1.6319 1.9345 1.9520 2.2429 2.2564 2.7657 2.7863 2.8634 2.8925 3.1906 3.2027 3.6756 3.6877 4.0247 4.0300 8.2412 8.2584 8.6447 8.6516 8.8590 8.8673 9.6466 9.6641 k =-0.3254 0.4189 0.5305 ( 4494 PWs) bands (ev): -8.0259 -8.0257 -7.7272 -7.7263 -7.3509 -7.3499 -7.1550 -7.1541 -3.4159 -3.3987 -3.3783 -3.3308 -2.8246 -2.7642 -2.7231 -2.6984 -2.6643 -2.6579 -0.6507 -0.6297 0.1480 0.1571 0.5272 0.5363 1.2281 1.2297 1.6086 1.6319 1.9345 1.9520 2.2429 2.2564 2.7657 2.7863 2.8634 2.8925 3.1906 3.2027 3.6756 3.6877 4.0247 4.0300 8.2412 8.2584 8.6447 8.6516 8.8590 8.8673 9.6466 9.6641 k =-0.3166 0.4076 0.5161 ( 4494 PWs) bands (ev): -8.0360 -8.0358 -7.7134 -7.7125 -7.3548 -7.3539 -7.1522 -7.1512 -3.4176 -3.3965 -3.3758 -3.3298 -2.8235 -2.7636 -2.7222 -2.6950 -2.6653 -2.6569 -0.6726 -0.6530 0.1642 0.1721 0.5492 0.5564 1.2003 1.2015 1.5943 1.6177 1.9111 1.9285 2.2519 2.2651 2.7556 2.7797 2.8738 2.9064 3.1559 3.1689 3.6923 3.7038 4.0342 4.0392 8.2880 8.3041 8.7073 8.7139 8.9138 8.9222 9.6609 9.6785 k =-0.3079 0.3963 0.5018 ( 4496 PWs) bands (ev): -8.0483 -8.0481 -7.6986 -7.6977 -7.3573 -7.3564 -7.1492 -7.1483 -3.4190 -3.3943 -3.3730 -3.3288 -2.8220 -2.7627 -2.7213 -2.6915 -2.6664 -2.6560 -0.6967 -0.6783 0.1696 0.1763 0.5857 0.5908 1.1720 1.1728 1.5808 1.6043 1.8900 1.9074 2.2577 2.2705 2.7455 2.7707 2.8918 2.9255 3.1217 3.1356 3.7051 3.7158 4.0416 4.0462 8.3356 8.3505 8.7699 8.7761 8.9647 8.9730 9.6712 9.6888 k =-0.2991 0.3849 0.4875 ( 4494 PWs) bands (ev): -8.0627 -8.0624 -7.6827 -7.6818 -7.3582 -7.3574 -7.1463 -7.1453 -3.4199 -3.3922 -3.3699 -3.3279 -2.8202 -2.7616 -2.7202 -2.6879 -2.6676 -2.6551 -0.7224 -0.7054 0.1664 0.1724 0.6334 0.6365 1.1434 1.1440 1.5684 1.5920 1.8711 1.8884 2.2594 2.2719 2.7374 2.7629 2.9145 2.9484 3.0883 3.1030 3.7135 3.7233 4.0467 4.0509 8.3831 8.3968 8.8322 8.8379 9.0111 9.0193 9.6774 9.6949 k =-0.2903 0.3736 0.4731 ( 4494 PWs) bands (ev): -8.0789 -8.0787 -7.6659 -7.6651 -7.3577 -7.3569 -7.1433 -7.1423 -3.4205 -3.3901 -3.3667 -3.3271 -2.8181 -2.7601 -2.7190 -2.6843 -2.6688 -2.6542 -0.7495 -0.7339 0.1576 0.1632 0.6883 0.6900 1.1151 1.1158 1.5573 1.5808 1.8543 1.8714 2.2567 2.2691 2.7327 2.7581 2.9404 2.9742 3.0560 3.0714 3.7175 3.7263 4.0496 4.0535 8.4295 8.4419 8.8940 8.8992 9.0526 9.0607 9.6795 9.6969 k =-0.2815 0.3623 0.4588 ( 4492 PWs) bands (ev): -8.0969 -8.0966 -7.6484 -7.6475 -7.3558 -7.3550 -7.1403 -7.1393 -3.4206 -3.3880 -3.3632 -3.3263 -2.8157 -2.7585 -2.7176 -2.6809 -2.6700 -2.6535 -0.7777 -0.7635 0.1457 0.1512 0.7470 0.7475 1.0883 1.0891 1.5474 1.5709 1.8393 1.8562 2.2495 2.2619 2.7322 2.7572 2.9683 3.0018 3.0260 3.0411 3.7170 3.7246 4.0505 4.0540 8.4735 8.4845 8.9551 8.9597 9.0893 9.0972 9.6778 9.6950 k =-0.2727 0.3510 0.4444 ( 4493 PWs) bands (ev): -8.1164 -8.1161 -7.6300 -7.6292 -7.3528 -7.3520 -7.1372 -7.1363 -3.4202 -3.3859 -3.3596 -3.3257 -2.8129 -2.7567 -2.7160 -2.6780 -2.6709 -2.6528 -0.8067 -0.7938 0.1324 0.1379 0.8051 0.8055 1.0649 1.0660 1.5387 1.5621 1.8258 1.8424 2.2382 2.2509 2.7359 2.7604 2.9880 3.0035 3.0137 3.0344 3.7118 3.7183 4.0492 4.0525 8.5137 8.5235 9.0151 9.0191 9.1215 9.1294 9.6727 9.6894 k =-0.2639 0.3397 0.4301 ( 4499 PWs) bands (ev): -8.1371 -8.1368 -7.6111 -7.6103 -7.3486 -7.3478 -7.1342 -7.1333 -3.4195 -3.3837 -3.3559 -3.3252 -2.8099 -2.7548 -2.7143 -2.6765 -2.6706 -2.6522 -0.8363 -0.8246 0.1187 0.1244 0.8568 0.8575 1.0498 1.0514 1.5313 1.5546 1.8134 1.8298 2.2237 2.2368 2.7435 2.7673 2.9648 2.9836 3.0346 3.0662 3.7020 3.7076 4.0458 4.0491 8.5487 8.5571 9.0726 9.0757 9.1511 9.1589 9.6642 9.6798 k =-0.2551 0.3283 0.4158 ( 4503 PWs) bands (ev): -8.1589 -8.1586 -7.5917 -7.5909 -7.3435 -7.3426 -7.1312 -7.1303 -3.4183 -3.3816 -3.3521 -3.3248 -2.8065 -2.7528 -2.7124 -2.6769 -2.6686 -2.6517 -0.8661 -0.8555 0.1055 0.1113 0.8905 0.8914 1.0540 1.0559 1.5251 1.5482 1.8016 1.8177 2.2069 2.2207 2.7544 2.7776 2.9393 2.9587 3.0679 3.1001 3.6877 3.6929 4.0406 4.0440 8.5769 8.5838 9.1222 9.1251 9.1835 9.1906 9.6510 9.6635 k =-0.2463 0.3170 0.4014 ( 4501 PWs) bands (ev): -8.1815 -8.1812 -7.5718 -7.5710 -7.3375 -7.3366 -7.1282 -7.1273 -3.4167 -3.3794 -3.3484 -3.3245 -2.8028 -2.7507 -2.7103 -2.6782 -2.6659 -2.6512 -0.8961 -0.8864 0.0931 0.0991 0.8969 0.8981 1.0857 1.0877 1.5201 1.5431 1.7899 1.8059 2.1891 2.2035 2.7678 2.7904 2.9161 2.9362 3.1031 3.1354 3.6691 3.6744 4.0334 4.0372 8.5966 8.6020 9.1549 9.1591 9.2281 9.2323 9.6283 9.6347 k =-0.2375 0.3057 0.3871 ( 4491 PWs) bands (ev): -8.2048 -8.2045 -7.5516 -7.5508 -7.3309 -7.3298 -7.1252 -7.1243 -3.4148 -3.3771 -3.3447 -3.3244 -2.7989 -2.7485 -2.7081 -2.6797 -2.6632 -2.6508 -0.9259 -0.9168 0.0820 0.0882 0.8849 0.8863 1.1351 1.1368 1.5167 1.5394 1.7778 1.7937 2.1715 2.1866 2.7825 2.8047 2.8961 2.9170 3.1394 3.1718 3.6466 3.6527 4.0247 4.0290 8.6063 8.6103 9.1725 9.1780 9.2819 9.2821 9.5856 9.5946 k =-0.2287 0.2944 0.3728 ( 4491 PWs) bands (ev): -8.2284 -8.2281 -7.5312 -7.5304 -7.3236 -7.3225 -7.1222 -7.1214 -3.4125 -3.3748 -3.3411 -3.3243 -2.7946 -2.7463 -2.7058 -2.6815 -2.6607 -2.6504 -0.9556 -0.9467 0.0724 0.0787 0.8656 0.8673 1.1899 1.1909 1.5153 1.5376 1.7648 1.7808 2.1551 2.1710 2.7964 2.8191 2.8804 2.9030 3.1766 3.2093 3.6207 3.6279 4.0145 4.0195 8.6049 8.6075 9.1805 9.1873 9.3276 9.3351 9.5321 9.5500 k =-0.2199 0.2830 0.3584 ( 4489 PWs) bands (ev): -8.2524 -8.2520 -7.5106 -7.5099 -7.3159 -7.3148 -7.1194 -7.1186 -3.4098 -3.3725 -3.3376 -3.3243 -2.7901 -2.7441 -2.7035 -2.6833 -2.6586 -2.6499 -0.9848 -0.9758 0.0644 0.0710 0.8441 0.8461 1.2427 1.2435 1.5165 1.5383 1.7506 1.7667 2.1410 2.1575 2.8051 2.8309 2.8720 2.8982 3.2145 3.2474 3.5919 3.6004 4.0031 4.0090 8.5913 8.5928 9.1779 9.1858 9.3510 9.3690 9.4968 9.5239 k =-0.2111 0.2717 0.3441 ( 4481 PWs) bands (ev): -8.2764 -8.2760 -7.4899 -7.4892 -7.3078 -7.3066 -7.1165 -7.1158 -3.4069 -3.3702 -3.3344 -3.3244 -2.7854 -2.7418 -2.7012 -2.6851 -2.6570 -2.6491 -1.0133 -1.0040 0.0582 0.0651 0.8224 0.8246 1.2884 1.2912 1.5215 1.5426 1.7355 1.7514 2.1299 2.1472 2.8048 2.8335 2.8774 2.9060 3.2529 3.2861 3.5610 3.5708 3.9908 3.9978 8.5651 8.5665 9.1571 9.1651 9.3421 9.3594 9.5153 9.5402 k =-0.2023 0.2604 0.3298 ( 4485 PWs) bands (ev): -8.3003 -8.3000 -7.4693 -7.4687 -7.2994 -7.2983 -7.1138 -7.1131 -3.4038 -3.3679 -3.3313 -3.3246 -2.7804 -2.7395 -2.6990 -2.6869 -2.6560 -2.6482 -1.0411 -1.0312 0.0539 0.0611 0.8016 0.8039 1.3239 1.3298 1.5310 1.5514 1.7203 1.7356 2.1224 2.1403 2.7984 2.8268 2.8965 2.9239 3.2915 3.3251 3.5285 3.5396 3.9780 3.9861 8.5266 8.5287 9.1090 9.1155 9.3300 9.3414 9.5631 9.5814 k =-0.1935 0.2491 0.3154 ( 4481 PWs) bands (ev): -8.3240 -8.3237 -7.4488 -7.4482 -7.2909 -7.2897 -7.1111 -7.1104 -3.4004 -3.3656 -3.3286 -3.3247 -2.7753 -2.7371 -2.6970 -2.6886 -2.6556 -2.6470 -1.0680 -1.0573 0.0515 0.0591 0.7821 0.7846 1.3471 1.3567 1.5434 1.5636 1.7077 1.7212 2.1185 2.1373 2.7899 2.8173 2.9221 2.9479 3.3301 3.3642 3.4951 3.5074 3.9650 3.9744 8.4769 8.4797 9.0366 9.0415 9.3305 9.3379 9.6146 9.6271 k =-0.1847 0.2378 0.3011 ( 4487 PWs) bands (ev): -8.3474 -8.3471 -7.4285 -7.4279 -7.2823 -7.2811 -7.1085 -7.1079 -3.3968 -3.3634 -3.3266 -3.3245 -2.7699 -2.7347 -2.6952 -2.6900 -2.6557 -2.6458 -1.0938 -1.0822 0.0512 0.0591 0.7643 0.7669 1.3590 1.3717 1.5526 1.5738 1.7023 1.7125 2.1184 2.1380 2.7816 2.8078 2.9516 2.9759 3.3684 3.4031 3.4618 3.4747 3.9522 3.9631 8.4172 8.4206 8.9503 8.9544 9.3397 9.3455 9.6622 9.6696 k =-0.1759 0.2264 0.2867 ( 4495 PWs) bands (ev): -8.3703 -8.3700 -7.4085 -7.4079 -7.2737 -7.2725 -7.1060 -7.1055 -3.3931 -3.3613 -3.3262 -3.3230 -2.7645 -2.7322 -2.6945 -2.6907 -2.6561 -2.6446 -1.1183 -1.1059 0.0530 0.0613 0.7484 0.7512 1.3619 1.3769 1.5507 1.5737 1.7087 1.7156 2.1215 2.1418 2.7742 2.7989 2.9841 3.0072 3.4041 3.4284 3.4411 3.4455 3.9399 3.9525 8.3488 8.3527 8.8574 8.8614 9.3535 9.3590 9.7039 9.7075 k =-0.1671 0.2151 0.2724 ( 4493 PWs) bands (ev): -8.3927 -8.3924 -7.3888 -7.3882 -7.2651 -7.2639 -7.1036 -7.1031 -3.3893 -3.3592 -3.3263 -3.3212 -2.7589 -2.7296 -2.6952 -2.6899 -2.6567 -2.6436 -1.1416 -1.1283 0.0568 0.0656 0.7347 0.7375 1.3586 1.3749 1.5357 1.5602 1.7251 1.7320 2.1272 2.1479 2.7682 2.7911 3.0190 3.0410 3.3932 3.4105 3.4468 3.4815 3.9285 3.9429 8.2730 8.2771 8.7619 8.7663 9.3695 9.3754 9.7403 9.7422 k =-0.1583 0.2038 0.2581 ( 4493 PWs) bands (ev): -8.4144 -8.4141 -7.3695 -7.3690 -7.2567 -7.2555 -7.1013 -7.1009 -3.3855 -3.3573 -3.3266 -3.3196 -2.7533 -2.7269 -2.6965 -2.6885 -2.6576 -2.6428 -1.1635 -1.1494 0.0628 0.0719 0.7233 0.7261 1.3507 1.3677 1.5116 1.5368 1.7473 1.7552 2.1343 2.1550 2.7641 2.7847 3.0554 3.0763 3.3648 3.3813 3.4832 3.5191 3.9183 3.9346 8.1911 8.1954 8.6661 8.6709 9.3861 9.3925 9.7734 9.7755 k =-0.1495 0.1925 0.2437 ( 4491 PWs) bands (ev): -8.4353 -8.4351 -7.3507 -7.3503 -7.2485 -7.2473 -7.0991 -7.0988 -3.3816 -3.3555 -3.3269 -3.3182 -2.7478 -2.7242 -2.6979 -2.6871 -2.6586 -2.6422 -1.1840 -1.1692 0.0708 0.0804 0.7142 0.7171 1.3393 1.3563 1.4824 1.5075 1.7713 1.7798 2.1414 2.1619 2.7624 2.7803 3.0910 3.1114 3.3409 3.3563 3.5193 3.5561 3.9095 3.9278 8.1043 8.1086 8.5714 8.5768 9.4018 9.4088 9.8055 9.8079 k =-0.1407 0.1811 0.2294 ( 4481 PWs) bands (ev): -8.4555 -8.4552 -7.3325 -7.3322 -7.2405 -7.2394 -7.0971 -7.0969 -3.3777 -3.3538 -3.3272 -3.3172 -2.7423 -2.7215 -2.6993 -2.6857 -2.6598 -2.6418 -1.2030 -1.1877 0.0808 0.0908 0.7077 0.7105 1.3249 1.3414 1.4504 1.4748 1.7950 1.8035 2.1471 2.1669 2.7635 2.7785 3.1216 3.1418 3.3268 3.3396 3.5546 3.5921 3.9024 3.9227 8.0139 8.0181 8.4790 8.4847 9.4151 9.4229 9.8376 9.8402 k =-0.1319 0.1698 0.2151 ( 4481 PWs) bands (ev): -8.4747 -8.4744 -7.3150 -7.3147 -7.2328 -7.2317 -7.0952 -7.0950 -3.3739 -3.3523 -3.3274 -3.3165 -2.7369 -2.7187 -2.7005 -2.6844 -2.6611 -2.6417 -1.2205 -1.2049 0.0928 0.1032 0.7038 0.7066 1.3078 1.3231 1.4173 1.4402 1.8173 1.8256 2.1499 2.1689 2.7679 2.7798 3.1396 3.1604 3.3298 3.3384 3.5887 3.6269 3.8968 3.9193 7.9210 7.9250 8.3896 8.3956 9.4247 9.4332 9.8705 9.8730 k =-0.1231 0.1585 0.2007 ( 4483 PWs) bands (ev): -8.4930 -8.4927 -7.2981 -7.2979 -7.2254 -7.2243 -7.0935 -7.0933 -3.3702 -3.3509 -3.3276 -3.3162 -2.7318 -2.7160 -2.7016 -2.6831 -2.6626 -2.6418 -1.2366 -1.2207 0.1067 0.1175 0.7025 0.7053 1.2881 1.3015 1.3841 1.4045 1.8382 1.8459 2.1490 2.1669 2.7757 2.7846 3.1403 3.1618 3.3536 3.3587 3.6216 3.6603 3.8929 3.9175 7.8266 7.8304 8.3039 8.3100 9.4292 9.4383 9.9044 9.9069 k =-0.1143 0.1472 0.1864 ( 4487 PWs) bands (ev): -8.5102 -8.5100 -7.2821 -7.2819 -7.2183 -7.2174 -7.0919 -7.0918 -3.3666 -3.3496 -3.3277 -3.3161 -2.7270 -2.7134 -2.7025 -2.6817 -2.6642 -2.6422 -1.2511 -1.2353 0.1223 0.1335 0.7039 0.7068 1.2656 1.2766 1.3518 1.3685 1.8576 1.8646 2.1437 2.1606 2.7868 2.7931 3.1280 3.1496 3.3929 3.3971 3.6530 3.6923 3.8906 3.9172 7.7319 7.7354 8.2223 8.2285 9.4276 9.4372 9.9397 9.9422 k =-0.1055 0.1359 0.1720 ( 4481 PWs) bands (ev): -8.5264 -8.5262 -7.2669 -7.2668 -7.2117 -7.2108 -7.0905 -7.0904 -3.3631 -3.3484 -3.3279 -3.3164 -2.7225 -2.7110 -2.7031 -2.6802 -2.6659 -2.6426 -1.2643 -1.2486 0.1395 0.1510 0.7081 0.7110 1.2398 1.2490 1.3207 1.3328 1.8755 1.8819 2.1343 2.1501 2.8006 2.8049 3.1093 3.1305 3.4412 3.4457 3.6830 3.7225 3.8898 3.9181 7.6379 7.6411 8.1453 8.1514 9.4197 9.4295 9.9765 9.9792 k =-0.0968 0.1245 0.1577 ( 4481 PWs) bands (ev): -8.5414 -8.5412 -7.2526 -7.2525 -7.2055 -7.2047 -7.0893 -7.0891 -3.3598 -3.3473 -3.3280 -3.3169 -2.7184 -2.7089 -2.7035 -2.6785 -2.6678 -2.6432 -1.2760 -1.2606 0.1581 0.1698 0.7150 0.7180 1.2103 1.2198 1.2908 1.2980 1.8923 1.8978 2.1212 2.1360 2.8165 2.8196 3.0883 3.1088 3.4942 3.4991 3.7113 3.7509 3.8902 3.9202 7.5455 7.5484 8.0733 8.0792 9.4058 9.4154 10.0147 10.0178 k =-0.0880 0.1132 0.1434 ( 4481 PWs) bands (ev): -8.5553 -8.5551 -7.2393 -7.2392 -7.1998 -7.1990 -7.0883 -7.0880 -3.3566 -3.3463 -3.3281 -3.3176 -2.7146 -2.7074 -2.7034 -2.6766 -2.6696 -2.6439 -1.2863 -1.2716 0.1778 0.1897 0.7247 0.7277 1.1777 1.1894 1.2612 1.2647 1.9077 1.9126 2.1054 2.1192 2.8336 2.8364 3.0671 3.0865 3.5491 3.5543 3.7380 3.7772 3.8917 3.9230 7.4559 7.4585 8.0066 8.0122 9.3868 9.3960 10.0540 10.0576 k =-0.0792 0.1019 0.1290 ( 4489 PWs) bands (ev): -8.5679 -8.5678 -7.2270 -7.2269 -7.1945 -7.1938 -7.0874 -7.0871 -3.3536 -3.3453 -3.3282 -3.3186 -2.7113 -2.7065 -2.7027 -2.6747 -2.6714 -2.6447 -1.2954 -1.2814 0.1984 0.2104 0.7370 0.7403 1.1438 1.1578 1.2303 1.2340 1.9220 1.9261 2.0877 2.1005 2.8514 2.8544 3.0466 3.0648 3.6039 3.6096 3.7632 3.8015 3.8942 3.9264 7.3700 7.3723 7.9454 7.9508 9.3641 9.3727 10.0938 10.0980 k =-0.0704 0.0906 0.1147 ( 4495 PWs) bands (ev): -8.5794 -8.5792 -7.2158 -7.2157 -7.1897 -7.1891 -7.0867 -7.0863 -3.3509 -3.3443 -3.3283 -3.3198 -2.7084 -2.7060 -2.7019 -2.6745 -2.6713 -2.6456 -1.3031 -1.2901 0.2196 0.2315 0.7520 0.7555 1.1099 1.1254 1.1987 1.2045 1.9351 1.9385 2.0693 2.0810 2.8692 2.8725 3.0276 3.0443 3.6568 3.6633 3.7871 3.8235 3.8975 3.9300 7.2888 7.2908 7.8901 7.8951 9.3393 9.3471 10.1332 10.1381 k =-0.0616 0.0793 0.1004 ( 4503 PWs) bands (ev): -8.5895 -8.5894 -7.2058 -7.2056 -7.1855 -7.1849 -7.0861 -7.0857 -3.3483 -3.3433 -3.3285 -3.3211 -2.7061 -2.7054 -2.7011 -2.6764 -2.6691 -2.6464 -1.3096 -1.2978 0.2409 0.2525 0.7694 0.7733 1.0769 1.0931 1.1673 1.1747 1.9469 1.9497 2.0510 2.0616 2.8864 2.8899 3.0104 3.0254 3.7060 3.7139 3.8101 3.8433 3.9016 3.9335 7.2136 7.2153 7.8409 7.8453 9.3140 9.3208 10.1711 10.1766 k =-0.0528 0.0679 0.0860 ( 4495 PWs) bands (ev): -8.5983 -8.5982 -7.1969 -7.1967 -7.1818 -7.1813 -7.0856 -7.0852 -3.3460 -3.3422 -3.3288 -3.3226 -2.7053 -2.7034 -2.7005 -2.6786 -2.6666 -2.6473 -1.3150 -1.3045 0.2619 0.2729 0.7893 0.7935 1.0458 1.0617 1.1360 1.1444 1.9574 1.9596 2.0338 2.0431 2.9025 2.9061 2.9953 3.0084 3.7495 3.7598 3.8330 3.8607 3.9066 3.9367 7.1453 7.1468 7.7979 7.8018 9.2894 9.2953 10.2063 10.2122 k =-0.0440 0.0566 0.0717 ( 4495 PWs) bands (ev): -8.6059 -8.6058 -7.1893 -7.1890 -7.1786 -7.1782 -7.0853 -7.0849 -3.3438 -3.3411 -3.3291 -3.3241 -2.7048 -2.7016 -2.6999 -2.6808 -2.6641 -2.6481 -1.3193 -1.3103 0.2819 0.2921 0.8114 0.8161 1.0175 1.0323 1.1047 1.1135 1.9664 1.9682 2.0182 2.0261 2.9170 2.9204 2.9825 2.9935 3.7850 3.7990 3.8567 3.8763 3.9126 3.9394 7.0851 7.0863 7.7613 7.7646 9.2669 9.2718 10.2374 10.2433 k =-0.0352 0.0453 0.0573 ( 4499 PWs) bands (ev): -8.6120 -8.6120 -7.1829 -7.1827 -7.1760 -7.1757 -7.0851 -7.0847 -3.3420 -3.3401 -3.3295 -3.3256 -2.7042 -2.7007 -2.6987 -2.6831 -2.6617 -2.6491 -1.3225 -1.3151 0.3002 0.3092 0.8356 0.8407 0.9929 1.0058 1.0732 1.0821 1.9739 1.9753 2.0049 2.0113 2.9293 2.9325 2.9723 2.9810 3.8116 3.8289 3.8811 3.8909 3.9199 3.9413 7.0340 7.0350 7.7313 7.7340 9.2473 9.2512 10.2633 10.2687 k =-0.0264 0.0340 0.0430 ( 4501 PWs) bands (ev): -8.6168 -8.6168 -7.1779 -7.1777 -7.1739 -7.1737 -7.0849 -7.0846 -3.3403 -3.3390 -3.3299 -3.3271 -2.7036 -2.7006 -2.6970 -2.6853 -2.6594 -2.6501 -1.3247 -1.3191 0.3161 0.3234 0.8615 0.8672 0.9728 0.9832 1.0416 1.0505 1.9799 1.9809 1.9943 1.9992 2.9389 2.9419 2.9649 2.9710 3.8305 3.8478 3.9036 3.9057 3.9282 3.9423 6.9931 6.9938 7.7079 7.7099 9.2314 9.2343 10.2831 10.2874 k =-0.0176 0.0226 0.0287 ( 4509 PWs) bands (ev): -8.6203 -8.6203 -7.1742 -7.1741 -7.1725 -7.1723 -7.0848 -7.0846 -3.3389 -3.3381 -3.3303 -3.3285 -2.7029 -2.7008 -2.6953 -2.6874 -2.6573 -2.6512 -1.3260 -1.3222 0.3288 0.3339 0.8891 0.8952 0.9584 0.9655 1.0102 1.0187 1.9841 1.9848 1.9870 1.9900 2.9453 2.9481 2.9607 2.9640 3.8438 3.8571 3.9175 3.9223 3.9367 3.9427 6.9633 6.9637 7.6912 7.6926 9.2198 9.2217 10.2960 10.2989 k =-0.0088 0.0113 0.0143 ( 4511 PWs) bands (ev): -8.6224 -8.6223 -7.1720 -7.1719 -7.1716 -7.1715 -7.0848 -7.0847 -3.3379 -3.3375 -3.3305 -3.3296 -2.7023 -2.7012 -2.6934 -2.6895 -2.6555 -2.6524 -1.3264 -1.3245 0.3373 0.3400 0.9179 0.9243 0.9503 0.9536 0.9791 0.9873 1.9823 1.9840 1.9871 1.9874 2.9483 2.9504 2.9598 2.9607 3.8528 3.8599 3.9264 3.9317 3.9434 3.9438 6.9451 6.9453 7.6813 7.6820 9.2129 9.2138 10.3028 10.3044 k = 0.0000 0.0000 0.0000 ( 4507 PWs) bands (ev): -8.6230 -8.6230 -7.1712 -7.1712 -7.1712 -7.1712 -7.0847 -7.0847 -3.3374 -3.3374 -3.3303 -3.3303 -2.7017 -2.7017 -2.6915 -2.6915 -2.6539 -2.6539 -1.3259 -1.3259 0.3411 0.3411 0.9466 0.9466 0.9471 0.9471 0.9583 0.9583 1.9815 1.9815 1.9880 1.9880 2.9497 2.9497 2.9601 2.9601 3.8582 3.8582 3.9316 3.9316 3.9456 3.9456 6.9390 6.9390 7.6783 7.6783 9.2108 9.2108 10.3054 10.3054 k = 0.0000 0.0000 0.0000 ( 4507 PWs) bands (ev): -8.6230 -8.6230 -7.1712 -7.1712 -7.1712 -7.1712 -7.0847 -7.0847 -3.3374 -3.3374 -3.3303 -3.3303 -2.7017 -2.7017 -2.6915 -2.6915 -2.6539 -2.6539 -1.3259 -1.3259 0.3411 0.3411 0.9466 0.9466 0.9471 0.9471 0.9583 0.9583 1.9815 1.9815 1.9880 1.9880 2.9497 2.9497 2.9601 2.9601 3.8582 3.8582 3.9316 3.9316 3.9456 3.9456 6.9390 6.9390 7.6783 7.6783 9.2108 9.2108 10.3054 10.3054 k = 0.0156 0.0121-0.0000 ( 4499 PWs) bands (ev): -8.6223 -8.6223 -7.1713 -7.1713 -7.1713 -7.1713 -7.0859 -7.0859 -3.3384 -3.3384 -3.3295 -3.3295 -2.7037 -2.7037 -2.6897 -2.6897 -2.6539 -2.6539 -1.3242 -1.3242 0.3354 0.3354 0.9477 0.9477 0.9492 0.9492 0.9641 0.9641 1.9479 1.9479 2.0218 2.0218 2.9504 2.9504 2.9608 2.9608 3.8557 3.8557 3.9291 3.9291 3.9442 3.9442 6.9429 6.9429 7.6812 7.6812 9.2118 9.2118 10.2860 10.2860 k = 0.0312 0.0243-0.0000 ( 4499 PWs) bands (ev): -8.6201 -8.6201 -7.1714 -7.1714 -7.1714 -7.1714 -7.0894 -7.0894 -3.3407 -3.3407 -3.3280 -3.3280 -2.7078 -2.7078 -2.6864 -2.6864 -2.6541 -2.6541 -1.3192 -1.3192 0.3189 0.3189 0.9509 0.9509 0.9535 0.9535 0.9828 0.9828 1.9114 1.9114 2.0587 2.0587 2.9525 2.9525 2.9630 2.9630 3.8483 3.8483 3.9219 3.9219 3.9402 3.9402 6.9545 6.9545 7.6901 7.6901 9.2147 9.2147 10.2345 10.2345 k = 0.0469 0.0364-0.0000 ( 4519 PWs) bands (ev): -8.6165 -8.6165 -7.1716 -7.1716 -7.1716 -7.1716 -7.0952 -7.0952 -3.3437 -3.3437 -3.3265 -3.3265 -2.7127 -2.7127 -2.6829 -2.6829 -2.6545 -2.6545 -1.3109 -1.3109 0.2936 0.2936 0.9562 0.9562 0.9593 0.9593 1.0130 1.0130 1.8751 1.8751 2.0956 2.0956 2.9560 2.9560 2.9667 2.9667 3.8354 3.8354 3.9107 3.9107 3.9336 3.9336 6.9736 6.9736 7.7047 7.7047 9.2194 9.2194 10.1626 10.1626 k = 0.0625 0.0486-0.0000 ( 4527 PWs) bands (ev): -8.6114 -8.6114 -7.1719 -7.1719 -7.1718 -7.1718 -7.1034 -7.1034 -3.3470 -3.3470 -3.3251 -3.3251 -2.7178 -2.7178 -2.6796 -2.6796 -2.6549 -2.6549 -1.2993 -1.2993 0.2618 0.2618 0.9635 0.9635 0.9671 0.9671 1.0521 1.0521 1.8392 1.8392 2.1326 2.1326 2.9608 2.9608 2.9717 2.9717 3.8165 3.8165 3.8966 3.8966 3.9244 3.9244 6.9999 6.9999 7.7249 7.7249 9.2259 9.2259 10.0784 10.0784 k = 0.0781 0.0607-0.0000 ( 4531 PWs) bands (ev): -8.6049 -8.6049 -7.1722 -7.1722 -7.1721 -7.1721 -7.1138 -7.1138 -3.3505 -3.3505 -3.3240 -3.3240 -2.7230 -2.7230 -2.6768 -2.6768 -2.6553 -2.6553 -1.2847 -1.2847 0.2256 0.2256 0.9729 0.9729 0.9768 0.9768 1.0976 1.0976 1.8038 1.8038 2.1695 2.1695 2.9669 2.9669 2.9780 2.9780 3.7911 3.7911 3.8806 3.8806 3.9128 3.9128 7.0328 7.0328 7.7504 7.7504 9.2338 9.2338 9.9863 9.9863 k = 0.0938 0.0728-0.0000 ( 4535 PWs) bands (ev): -8.5969 -8.5969 -7.1726 -7.1726 -7.1725 -7.1725 -7.1263 -7.1263 -3.3542 -3.3542 -3.3231 -3.3231 -2.7282 -2.7282 -2.6745 -2.6745 -2.6557 -2.6557 -1.2672 -1.2672 0.1866 0.1866 0.9843 0.9843 0.9886 0.9886 1.1477 1.1477 1.7689 1.7689 2.2063 2.2063 2.9741 2.9741 2.9855 2.9855 3.7595 3.7595 3.8634 3.8634 3.8990 3.8990 7.0720 7.0720 7.7809 7.7809 9.2430 9.2430 9.8887 9.8887 k = 0.1094 0.0850 0.0000 ( 4535 PWs) bands (ev): -8.5875 -8.5875 -7.1731 -7.1731 -7.1730 -7.1730 -7.1410 -7.1410 -3.3580 -3.3580 -3.3225 -3.3225 -2.7335 -2.7335 -2.6729 -2.6729 -2.6560 -2.6560 -1.2469 -1.2469 0.1463 0.1463 0.9976 0.9976 1.0023 1.0023 1.2009 1.2009 1.7347 1.7347 2.2428 2.2428 2.9822 2.9822 2.9939 2.9939 3.7222 3.7222 3.8451 3.8451 3.8831 3.8831 7.1167 7.1167 7.8159 7.8159 9.2531 9.2531 9.7873 9.7873 k = 0.1250 0.0971-0.0000 ( 4523 PWs) bands (ev): -8.5767 -8.5767 -7.1738 -7.1738 -7.1735 -7.1735 -7.1577 -7.1577 -3.3619 -3.3619 -3.3223 -3.3223 -2.7386 -2.7386 -2.6719 -2.6719 -2.6561 -2.6561 -1.2241 -1.2241 0.1055 0.1055 1.0128 1.0128 1.0180 1.0180 1.2559 1.2559 1.7015 1.7015 2.2792 2.2792 2.9911 2.9911 3.0032 3.0032 3.6801 3.6801 3.8258 3.8258 3.8655 3.8655 7.1664 7.1664 7.8551 7.8551 9.2636 9.2636 9.6832 9.6832 k = 0.1406 0.1092 0.0000 ( 4523 PWs) bands (ev): -8.5645 -8.5645 -7.1778 -7.1777 -7.1741 -7.1741 -7.1731 -7.1731 -3.3658 -3.3658 -3.3223 -3.3223 -2.7436 -2.7436 -2.6716 -2.6716 -2.6561 -2.6561 -1.1990 -1.1990 0.0650 0.0650 1.0299 1.0299 1.0354 1.0354 1.3113 1.3113 1.6699 1.6699 2.3152 2.3152 3.0006 3.0006 3.0131 3.0131 3.6341 3.6341 3.8058 3.8058 3.8464 3.8464 7.2203 7.2203 7.8977 7.8977 9.2738 9.2738 9.5774 9.5774 k = 0.1562 0.1214-0.0000 ( 4487 PWs) bands (ev): -8.5509 -8.5509 -7.1976 -7.1976 -7.1747 -7.1747 -7.1746 -7.1745 -3.3697 -3.3697 -3.3225 -3.3225 -2.7483 -2.7483 -2.6719 -2.6719 -2.6560 -2.6560 -1.1718 -1.1718 0.0253 0.0253 1.0487 1.0487 1.0546 1.0546 1.3656 1.3656 1.6410 1.6410 2.3509 2.3509 3.0104 3.0104 3.0233 3.0233 3.5850 3.5850 3.7851 3.7851 3.8262 3.8262 7.2779 7.2779 7.9433 7.9433 9.2829 9.2829 9.4707 9.4707 k = 0.1719 0.1335 0.0000 ( 4487 PWs) bands (ev): -8.5360 -8.5360 -7.2200 -7.2200 -7.1754 -7.1754 -7.1753 -7.1753 -3.3736 -3.3736 -3.3231 -3.3231 -2.7530 -2.7530 -2.6727 -2.6727 -2.6558 -2.6558 -1.1430 -1.1430 -0.0131 -0.0131 1.0692 1.0692 1.0755 1.0755 1.4153 1.4153 1.6174 1.6174 2.3861 2.3861 3.0201 3.0201 3.0336 3.0336 3.5336 3.5336 3.7640 3.7640 3.8052 3.8052 7.3384 7.3384 7.9912 7.9912 9.2895 9.2895 9.3640 9.3640 k = 0.1875 0.1457-0.0000 ( 4487 PWs) bands (ev): -8.5198 -8.5198 -7.2442 -7.2442 -7.1761 -7.1761 -7.1760 -7.1760 -3.3774 -3.3774 -3.3238 -3.3238 -2.7574 -2.7574 -2.6738 -2.6738 -2.6558 -2.6558 -1.1127 -1.1127 -0.0499 -0.0499 1.0912 1.0912 1.0979 1.0979 1.4529 1.4529 1.6065 1.6065 2.4208 2.4208 3.0294 3.0294 3.0434 3.0434 3.4808 3.4808 3.7429 3.7429 3.7839 3.7839 7.4009 7.4009 8.0409 8.0409 9.2556 9.2556 9.2739 9.2739 k = 0.2031 0.1578 0.0000 ( 4475 PWs) bands (ev): -8.5022 -8.5022 -7.2700 -7.2700 -7.1769 -7.1769 -7.1767 -7.1767 -3.3811 -3.3811 -3.3248 -3.3248 -2.7615 -2.7615 -2.6752 -2.6752 -2.6559 -2.6559 -1.0814 -1.0814 -0.0847 -0.0847 1.1146 1.1146 1.1216 1.1216 1.4661 1.4661 1.6200 1.6200 2.4549 2.4549 3.0379 3.0379 3.0524 3.0524 3.4273 3.4273 3.7222 3.7222 3.7629 3.7629 7.4645 7.4645 8.0917 8.0917 9.1509 9.1509 9.1695 9.1695 k = 0.2188 0.1699 0.0000 ( 4475 PWs) bands (ev): -8.4834 -8.4834 -7.2973 -7.2973 -7.1776 -7.1776 -7.1775 -7.1775 -3.3847 -3.3847 -3.3260 -3.3260 -2.7655 -2.7655 -2.6767 -2.6767 -2.6562 -2.6562 -1.0494 -1.0494 -0.1172 -0.1172 1.1393 1.1393 1.1467 1.1467 1.4557 1.4557 1.6566 1.6566 2.4883 2.4883 3.0451 3.0451 3.0601 3.0601 3.3737 3.3737 3.7025 3.7025 3.7426 3.7426 7.5283 7.5283 8.1430 8.1430 9.0471 9.0471 9.0662 9.0662 k = 0.2344 0.1821 0.0000 ( 4475 PWs) bands (ev): -8.4633 -8.4633 -7.3259 -7.3259 -7.1784 -7.1784 -7.1782 -7.1782 -3.3881 -3.3881 -3.3273 -3.3273 -2.7691 -2.7691 -2.6783 -2.6783 -2.6567 -2.6567 -1.0172 -1.0172 -0.1470 -0.1470 1.1650 1.1650 1.1728 1.1728 1.4342 1.4342 1.7036 1.7036 2.5209 2.5209 3.0504 3.0504 3.0660 3.0660 3.3208 3.3208 3.6843 3.6843 3.7237 3.7237 7.5910 7.5910 8.1945 8.1945 8.9454 8.9454 8.9649 8.9649 k = 0.2500 0.1942-0.0000 ( 4475 PWs) bands (ev): -8.4420 -8.4420 -7.3558 -7.3558 -7.1792 -7.1792 -7.1790 -7.1790 -3.3913 -3.3913 -3.3288 -3.3288 -2.7725 -2.7725 -2.6800 -2.6800 -2.6574 -2.6574 -0.9853 -0.9853 -0.1740 -0.1740 1.1918 1.1918 1.1999 1.1999 1.4087 1.4087 1.7534 1.7534 2.5527 2.5527 3.0534 3.0534 3.0696 3.0696 3.2691 3.2691 3.6683 3.6683 3.7067 3.7067 7.6514 7.6514 8.2457 8.2457 8.8462 8.8462 8.8661 8.8661 k = 0.2656 0.2064-0.0000 ( 4471 PWs) bands (ev): -8.4196 -8.4196 -7.3868 -7.3868 -7.1800 -7.1800 -7.1798 -7.1798 -3.3944 -3.3944 -3.3303 -3.3303 -2.7757 -2.7757 -2.6817 -2.6817 -2.6584 -2.6584 -0.9541 -0.9541 -0.1978 -0.1978 1.2191 1.2191 1.2278 1.2278 1.3819 1.3819 1.8030 1.8030 2.5834 2.5834 3.0535 3.0535 3.0703 3.0703 3.2193 3.2193 3.6548 3.6548 3.6922 3.6922 7.7078 7.7078 8.2966 8.2966 8.7503 8.7503 8.7704 8.7704 k = 0.2812 0.2185 0.0000 ( 4471 PWs) bands (ev): -8.3961 -8.3961 -7.4188 -7.4188 -7.1808 -7.1808 -7.1806 -7.1806 -3.3973 -3.3973 -3.3320 -3.3320 -2.7785 -2.7785 -2.6833 -2.6833 -2.6595 -2.6595 -0.9242 -0.9242 -0.2181 -0.2181 1.2468 1.2468 1.2562 1.2562 1.3551 1.3551 1.8510 1.8510 2.6130 2.6130 3.0504 3.0504 3.0679 3.0679 3.1721 3.1721 3.6443 3.6443 3.6806 3.6806 7.7587 7.7587 8.3469 8.3469 8.6582 8.6582 8.6782 8.6782 k = 0.2969 0.2306-0.0000 ( 4499 PWs) bands (ev): -8.3715 -8.3715 -7.4517 -7.4517 -7.1815 -7.1815 -7.1813 -7.1813 -3.3999 -3.3999 -3.3337 -3.3337 -2.7812 -2.7812 -2.6849 -2.6849 -2.6608 -2.6608 -0.8962 -0.8962 -0.2346 -0.2346 1.2739 1.2739 1.2848 1.2848 1.3295 1.3295 1.8963 1.8963 2.6414 2.6414 3.0437 3.0437 3.0620 3.0620 3.1283 3.1283 3.6371 3.6371 3.6723 3.6723 7.8026 7.8026 8.3961 8.3961 8.5712 8.5712 8.5900 8.5900 k = 0.3125 0.2428-0.0000 ( 4511 PWs) bands (ev): -8.3459 -8.3459 -7.4852 -7.4852 -7.1822 -7.1822 -7.1820 -7.1820 -3.4024 -3.4024 -3.3354 -3.3354 -2.7836 -2.7836 -2.6863 -2.6863 -2.6622 -2.6622 -0.8705 -0.8705 -0.2472 -0.2472 1.2896 1.2896 1.3131 1.3131 1.3161 1.3161 1.9384 1.9384 2.6683 2.6683 3.0331 3.0331 3.0527 3.0527 3.0888 3.0888 3.6332 3.6332 3.6672 3.6672 7.8383 7.8383 8.4362 8.4362 8.4970 8.4970 8.5068 8.5068 k = 0.3281 0.2549 0.0000 ( 4511 PWs) bands (ev): -8.3194 -8.3194 -7.5194 -7.5194 -7.1830 -7.1830 -7.1827 -7.1827 -3.4046 -3.4046 -3.3371 -3.3371 -2.7857 -2.7857 -2.6877 -2.6877 -2.6637 -2.6637 -0.8476 -0.8476 -0.2557 -0.2557 1.2712 1.2712 1.3366 1.3366 1.3421 1.3421 1.9767 1.9767 2.6938 2.6938 3.0180 3.0180 3.0399 3.0399 3.0553 3.0553 3.6323 3.6323 3.6652 3.6652 7.8653 7.8653 8.3967 8.3967 8.4267 8.4267 8.5085 8.5085 k = 0.3438 0.2671 0.0000 ( 4519 PWs) bands (ev): -8.2921 -8.2921 -7.5539 -7.5539 -7.1836 -7.1836 -7.1834 -7.1834 -3.4066 -3.4066 -3.3388 -3.3388 -2.7876 -2.7876 -2.6889 -2.6889 -2.6652 -2.6652 -0.8278 -0.8278 -0.2601 -0.2601 1.2475 1.2475 1.3634 1.3634 1.3700 1.3700 2.0108 2.0108 2.7176 2.7176 2.9978 2.9978 3.0228 3.0228 3.0305 3.0305 3.6342 3.6342 3.6660 3.6660 7.8837 7.8837 8.3258 8.3258 8.3529 8.3529 8.5541 8.5541 k = 0.3594 0.2792 0.0000 ( 4507 PWs) bands (ev): -8.2640 -8.2640 -7.5887 -7.5887 -7.1842 -7.1842 -7.1840 -7.1840 -3.4084 -3.4084 -3.3404 -3.3404 -2.7893 -2.7893 -2.6900 -2.6900 -2.6668 -2.6668 -0.8114 -0.8114 -0.2606 -0.2606 1.2243 1.2243 1.3902 1.3902 1.3970 1.3970 2.0405 2.0405 2.7397 2.7397 2.9750 2.9750 3.0033 3.0033 3.0115 3.0115 3.6382 3.6382 3.6691 3.6691 7.8944 7.8944 8.2581 8.2581 8.2846 8.2846 8.5995 8.5995 k = 0.3750 0.2913-0.0000 ( 4499 PWs) bands (ev): -8.2354 -8.2354 -7.6235 -7.6235 -7.1848 -7.1848 -7.1846 -7.1846 -3.4099 -3.4099 -3.3419 -3.3419 -2.7907 -2.7907 -2.6909 -2.6909 -2.6684 -2.6684 -0.7982 -0.7982 -0.2578 -0.2578 1.2022 1.2022 1.4159 1.4160 1.4227 1.4227 2.0655 2.0655 2.7599 2.7599 2.9533 2.9533 2.9844 2.9844 2.9931 2.9931 3.6438 3.6438 3.6739 3.6739 7.8987 7.8987 8.1959 8.1959 8.2222 8.2222 8.6409 8.6409 k = 0.3906 0.3035 0.0000 ( 4500 PWs) bands (ev): -8.2064 -8.2064 -7.6580 -7.6580 -7.1853 -7.1853 -7.1851 -7.1851 -3.4113 -3.4113 -3.3433 -3.3433 -2.7920 -2.7920 -2.6917 -2.6917 -2.6700 -2.6700 -0.7881 -0.7881 -0.2524 -0.2524 1.1817 1.1817 1.4402 1.4402 1.4467 1.4467 2.0861 2.0861 2.7780 2.7780 2.9347 2.9347 2.9663 2.9663 2.9747 2.9747 3.6504 3.6504 3.6798 3.6798 7.8981 7.8981 8.1398 8.1398 8.1663 8.1663 8.6764 8.6764 k = 0.4062 0.3156 0.0000 ( 4500 PWs) bands (ev): -8.1773 -8.1773 -7.6921 -7.6921 -7.1858 -7.1858 -7.1856 -7.1856 -3.4124 -3.4124 -3.3445 -3.3445 -2.7930 -2.7930 -2.6923 -2.6923 -2.6714 -2.6714 -0.7806 -0.7806 -0.2450 -0.2450 1.1631 1.1631 1.4625 1.4625 1.4687 1.4687 2.1023 2.1023 2.7941 2.7941 2.9195 2.9195 2.9493 2.9493 2.9569 2.9569 3.6574 3.6574 3.6862 3.6862 7.8943 7.8943 8.0904 8.0904 8.1169 8.1169 8.7046 8.7046 k = 0.4219 0.3277-0.0000 ( 4500 PWs) bands (ev): -8.1486 -8.1486 -7.7251 -7.7251 -7.1862 -7.1862 -7.1860 -7.1860 -3.4134 -3.4134 -3.3456 -3.3456 -2.7939 -2.7939 -2.6928 -2.6928 -2.6728 -2.6728 -0.7752 -0.7752 -0.2368 -0.2368 1.1467 1.1467 1.4824 1.4824 1.4882 1.4882 2.1147 2.1147 2.8079 2.8079 2.9074 2.9074 2.9339 2.9339 2.9406 2.9406 3.6642 3.6642 3.6925 3.6925 7.8886 7.8886 8.0480 8.0480 8.0746 8.0746 8.7255 8.7255 k = 0.4375 0.3399 0.0000 ( 4500 PWs) bands (ev): -8.1207 -8.1207 -7.7564 -7.7564 -7.1865 -7.1865 -7.1863 -7.1863 -3.4142 -3.4142 -3.3466 -3.3466 -2.7946 -2.7946 -2.6932 -2.6932 -2.6740 -2.6740 -0.7716 -0.7716 -0.2285 -0.2285 1.1327 1.1327 1.4995 1.4995 1.5047 1.5047 2.1238 2.1238 2.8194 2.8194 2.8979 2.8979 2.9203 2.9203 2.9267 2.9267 3.6705 3.6705 3.6984 3.6984 7.8823 7.8823 8.0128 8.0128 8.0396 8.0396 8.7397 8.7397 k = 0.4531 0.3520-0.0000 ( 4496 PWs) bands (ev): -8.0949 -8.0949 -7.7850 -7.7850 -7.1868 -7.1868 -7.1866 -7.1866 -3.4148 -3.4148 -3.3473 -3.3473 -2.7952 -2.7952 -2.6934 -2.6934 -2.6749 -2.6749 -0.7693 -0.7693 -0.2212 -0.2212 1.1214 1.1214 1.5133 1.5133 1.5180 1.5180 2.1301 2.1301 2.8285 2.8285 2.8904 2.8904 2.9088 2.9088 2.9164 2.9164 3.6757 3.6757 3.7034 3.7034 7.8764 7.8764 7.9852 7.9852 8.0121 8.0121 8.7484 8.7484 k = 0.4688 0.3642 0.0000 ( 4492 PWs) bands (ev): -8.0729 -8.0729 -7.8090 -7.8090 -7.1870 -7.1870 -7.1867 -7.1867 -3.4152 -3.4152 -3.3478 -3.3478 -2.7955 -2.7955 -2.6936 -2.6936 -2.6757 -2.6757 -0.7679 -0.7679 -0.2153 -0.2153 1.1132 1.1132 1.5235 1.5235 1.5277 1.5277 2.1342 2.1342 2.8351 2.8351 2.8847 2.8847 2.9000 2.9000 2.9096 2.9096 3.6797 3.6797 3.7072 3.7072 7.8717 7.8717 7.9653 7.9653 7.9923 7.9923 8.7534 8.7534 k = 0.4844 0.3763 0.0000 ( 4496 PWs) bands (ev): -8.0574 -8.0574 -7.8257 -7.8257 -7.1871 -7.1871 -7.1869 -7.1869 -3.4154 -3.4154 -3.3482 -3.3482 -2.7958 -2.7958 -2.6937 -2.6937 -2.6762 -2.6762 -0.7672 -0.7672 -0.2116 -0.2116 1.1082 1.1082 1.5298 1.5298 1.5336 1.5336 2.1364 2.1364 2.8391 2.8391 2.8811 2.8811 2.8944 2.8944 2.9059 2.9059 3.6822 3.6822 3.7095 3.7095 7.8686 7.8686 7.9533 7.9533 7.9804 7.9804 8.7557 8.7557 k = 0.5000 0.3884-0.0000 ( 4504 PWs) bands (ev): -8.0517 -8.0517 -7.8318 -7.8318 -7.1871 -7.1871 -7.1869 -7.1869 -3.4155 -3.4155 -3.3483 -3.3483 -2.7959 -2.7959 -2.6937 -2.6937 -2.6763 -2.6763 -0.7669 -0.7669 -0.2103 -0.2103 1.1065 1.1065 1.5319 1.5319 1.5356 1.5356 2.1371 2.1371 2.8405 2.8405 2.8798 2.8798 2.8924 2.8924 2.9047 2.9047 3.6830 3.6830 3.7103 3.7103 7.8676 7.8676 7.9493 7.9493 7.9764 7.9764 8.7564 8.7564 k = 0.5000 0.3884-0.0000 ( 4504 PWs) bands (ev): -8.0517 -8.0517 -7.8318 -7.8318 -7.1871 -7.1871 -7.1869 -7.1869 -3.4155 -3.4155 -3.3483 -3.3483 -2.7959 -2.7959 -2.6937 -2.6937 -2.6763 -2.6763 -0.7669 -0.7669 -0.2103 -0.2103 1.1065 1.1065 1.5319 1.5319 1.5356 1.5356 2.1371 2.1371 2.8405 2.8405 2.8798 2.8798 2.8924 2.8924 2.9047 2.9047 3.6830 3.6830 3.7103 3.7103 7.8676 7.8676 7.9493 7.9493 7.9764 7.9764 8.7564 8.7564 k = 0.4913 0.3997 0.0142 ( 4500 PWs) bands (ev): -8.0514 -8.0514 -7.8316 -7.8315 -7.1879 -7.1877 -7.1869 -7.1869 -3.4168 -3.4141 -3.3505 -3.3464 -2.7989 -2.7927 -2.6957 -2.6922 -2.6793 -2.6733 -0.7661 -0.7638 -0.2105 -0.2099 1.1002 1.1025 1.5319 1.5325 1.5366 1.5396 2.1359 2.1370 2.8217 2.8310 2.8434 2.8585 2.8947 2.8954 2.9358 2.9524 3.6819 3.6838 3.7100 3.7107 7.8687 7.8695 7.9483 7.9531 7.9776 7.9784 8.7594 8.7647 k = 0.4825 0.4109 0.0285 ( 4498 PWs) bands (ev): -8.0504 -8.0503 -7.8310 -7.8308 -7.1901 -7.1899 -7.1867 -7.1866 -3.4179 -3.4125 -3.3529 -3.3448 -2.8018 -2.7896 -2.6980 -2.6917 -2.6815 -2.6704 -0.7614 -0.7567 -0.2103 -0.2090 1.0842 1.0885 1.5296 1.5305 1.5452 1.5513 2.1334 2.1356 2.7735 2.7874 2.8290 2.8391 2.9046 2.9065 2.9851 3.0023 3.6794 3.6828 3.7112 3.7123 7.8726 7.8744 7.9486 7.9593 7.9833 7.9851 8.7733 8.7837 k = 0.4738 0.4221 0.0427 ( 4502 PWs) bands (ev): -8.0487 -8.0486 -7.8299 -7.8296 -7.1939 -7.1935 -7.1863 -7.1861 -3.4187 -3.4108 -3.3557 -3.3434 -2.8046 -2.7863 -2.7007 -2.6926 -2.6823 -2.6679 -0.7529 -0.7458 -0.2098 -0.2078 1.0601 1.0660 1.5251 1.5264 1.5598 1.5683 2.1298 2.1331 2.7207 2.7346 2.8162 2.8258 2.9168 2.9187 3.0340 3.0515 3.6732 3.6774 3.7167 3.7174 7.8789 7.8821 7.9491 7.9650 7.9958 7.9991 8.7979 8.8129 k = 0.4651 0.4334 0.0569 ( 4498 PWs) bands (ev): -8.0464 -8.0463 -7.8283 -7.8279 -7.1991 -7.1985 -7.1857 -7.1854 -3.4194 -3.4089 -3.3587 -3.3423 -2.8073 -2.7830 -2.7039 -2.6948 -2.6818 -2.6656 -0.7409 -0.7315 -0.2087 -0.2059 1.0299 1.0369 1.5189 1.5206 1.5782 1.5887 2.1254 2.1297 2.6670 2.6804 2.8035 2.8134 2.9291 2.9308 3.0819 3.0996 3.6623 3.6669 3.7264 3.7271 7.8866 7.8918 7.9515 7.9704 8.0164 8.0204 8.8324 8.8514 k = 0.4564 0.4446 0.0711 ( 4494 PWs) bands (ev): -8.0435 -8.0434 -7.8263 -7.8258 -7.2055 -7.2049 -7.1849 -7.1846 -3.4198 -3.4070 -3.3620 -3.3413 -2.8098 -2.7797 -2.7075 -2.6972 -2.6805 -2.6637 -0.7258 -0.7140 -0.2069 -0.2033 0.9951 1.0029 1.5109 1.5130 1.5984 1.6107 2.1204 2.1258 2.6129 2.6257 2.7913 2.8019 2.9405 2.9421 3.1288 3.1465 3.6473 3.6522 3.7394 3.7409 7.8941 7.9023 7.9590 7.9784 8.0439 8.0481 8.8760 8.8984 k = 0.4476 0.4558 0.0854 ( 4498 PWs) bands (ev): -8.0400 -8.0400 -7.8238 -7.8232 -7.2132 -7.2125 -7.1839 -7.1835 -3.4200 -3.4051 -3.3655 -3.3406 -2.8122 -2.7765 -2.7115 -2.6996 -2.6790 -2.6622 -0.7083 -0.6941 -0.2040 -0.1995 0.9571 0.9655 1.5012 1.5037 1.6189 1.6327 2.1154 2.1219 2.5589 2.5710 2.7800 2.7913 2.9501 2.9521 3.1745 3.1923 3.6289 3.6342 3.7553 3.7577 7.9002 7.9122 7.9737 7.9915 8.0772 8.0817 8.9276 8.9530 k = 0.4389 0.4671 0.0996 ( 4506 PWs) bands (ev): -8.0362 -8.0361 -7.8209 -7.8202 -7.2220 -7.2212 -7.1828 -7.1823 -3.4199 -3.4031 -3.3692 -3.3400 -2.8145 -2.7733 -2.7156 -2.7018 -2.6775 -2.6610 -0.6888 -0.6723 -0.1997 -0.1943 0.9169 0.9257 1.4900 1.4928 1.6384 1.6537 2.1106 2.1184 2.5054 2.5168 2.7697 2.7820 2.9576 2.9602 3.2192 3.2370 3.6074 3.6132 3.7736 3.7768 7.9055 7.9212 7.9960 8.0115 8.1157 8.1204 8.9863 9.0141 k = 0.4302 0.4783 0.1138 ( 4500 PWs) bands (ev): -8.0320 -8.0319 -7.8175 -7.8167 -7.2318 -7.2308 -7.1814 -7.1810 -3.4196 -3.4011 -3.3730 -3.3395 -2.8166 -2.7703 -2.7196 -2.7037 -2.6759 -2.6600 -0.6685 -0.6496 -0.1934 -0.1869 0.8754 0.8846 1.4772 1.4804 1.6559 1.6726 2.1067 2.1159 2.4527 2.4635 2.7608 2.7741 2.9626 2.9659 3.2627 3.2806 3.5834 3.5898 3.7936 3.7976 7.9115 7.9301 8.0246 8.0381 8.1589 8.1640 9.0511 9.0809 k = 0.4214 0.4896 0.1280 ( 4500 PWs) bands (ev): -8.0275 -8.0275 -7.8137 -7.8129 -7.2424 -7.2413 -7.1800 -7.1794 -3.4190 -3.3991 -3.3770 -3.3390 -2.8185 -2.7675 -2.7233 -2.7054 -2.6743 -2.6594 -0.6482 -0.6272 -0.1844 -0.1767 0.8333 0.8427 1.4630 1.4664 1.6704 1.6886 2.1041 2.1148 2.4013 2.4114 2.7536 2.7679 2.9649 2.9688 3.3051 3.3231 3.5572 3.5643 3.8150 3.8197 7.9196 7.9401 8.0586 8.0706 8.2063 8.2118 9.1208 9.1521 k = 0.4127 0.5008 0.1423 ( 4518 PWs) bands (ev): -8.0231 -8.0230 -7.8094 -7.8085 -7.2535 -7.2524 -7.1784 -7.1778 -3.4182 -3.3972 -3.3810 -3.3386 -2.8203 -2.7651 -2.7264 -2.7068 -2.6727 -2.6590 -0.6291 -0.6062 -0.1717 -0.1631 0.7912 0.8008 1.4474 1.4510 1.6814 1.7009 2.1028 2.1155 2.3517 2.3614 2.7481 2.7633 2.9642 2.9686 3.3459 3.3643 3.5293 3.5374 3.8373 3.8426 7.9307 7.9524 8.0972 8.1082 8.2576 8.2634 9.1941 9.2263 k = 0.4040 0.5120 0.1565 ( 4510 PWs) bands (ev): -8.0187 -8.0186 -7.8046 -7.8037 -7.2651 -7.2640 -7.1766 -7.1759 -3.4172 -3.3953 -3.3850 -3.3381 -2.8218 -2.7633 -2.7287 -2.7080 -2.6712 -2.6587 -0.6125 -0.5879 -0.1547 -0.1451 0.7495 0.7594 1.4305 1.4342 1.6884 1.7090 2.1030 2.1179 2.3045 2.3142 2.7446 2.7606 2.9604 2.9652 3.3844 3.4036 3.5005 3.5101 3.8600 3.8657 7.9454 7.9677 8.1400 8.1502 8.3121 8.3184 9.2688 9.3010 k = 0.3953 0.5233 0.1707 ( 4512 PWs) bands (ev): -8.0147 -8.0146 -7.7993 -7.7983 -7.2769 -7.2757 -7.1746 -7.1740 -3.4159 -3.3937 -3.3888 -3.3376 -2.8232 -2.7623 -2.7300 -2.7089 -2.6696 -2.6587 -0.5993 -0.5736 -0.1325 -0.1223 0.7089 0.7190 1.4124 1.4162 1.6911 1.7128 2.1034 2.1211 2.2610 2.2715 2.7433 2.7597 2.9537 2.9586 3.4167 3.4362 3.4759 3.4865 3.8827 3.8888 7.9638 7.9863 8.1864 8.1961 8.3695 8.3761 9.3420 9.3727 k = 0.3865 0.5345 0.1849 ( 4506 PWs) bands (ev): -8.0112 -8.0111 -7.7934 -7.7923 -7.2887 -7.2874 -7.1726 -7.1719 -3.4144 -3.3938 -3.3908 -3.3370 -2.8242 -2.7619 -2.7302 -2.7095 -2.6682 -2.6588 -0.5905 -0.5641 -0.1049 -0.0943 0.6699 0.6803 1.3932 1.3969 1.6897 1.7121 2.1014 2.1226 2.2236 2.2365 2.7441 2.7607 2.9443 2.9490 3.4235 3.4280 3.4856 3.4897 3.9050 3.9113 7.9861 8.0085 8.2362 8.2454 8.4292 8.4362 9.4094 9.4365 k = 0.3778 0.5457 0.1992 ( 4508 PWs) bands (ev): -8.0086 -8.0086 -7.7867 -7.7856 -7.3001 -7.2989 -7.1704 -7.1696 -3.4128 -3.3970 -3.3895 -3.3364 -2.8251 -2.7622 -2.7297 -2.7096 -2.6667 -2.6591 -0.5863 -0.5599 -0.0721 -0.0613 0.6331 0.6437 1.3728 1.3764 1.6845 1.7074 2.0922 2.1161 2.1984 2.2141 2.7471 2.7635 2.9325 2.9368 3.3973 3.4006 3.5125 3.5230 3.9266 3.9330 8.0124 8.0344 8.2890 8.2977 8.4907 8.4979 9.4670 9.4896 k = 0.3691 0.5570 0.2134 ( 4500 PWs) bands (ev): -8.0072 -8.0071 -7.7793 -7.7782 -7.3111 -7.3099 -7.1681 -7.1673 -3.4112 -3.4003 -3.3879 -3.3356 -2.8257 -2.7627 -2.7286 -2.7092 -2.6654 -2.6594 -0.5870 -0.5609 -0.0349 -0.0242 0.5992 0.6100 1.3514 1.3548 1.6760 1.6992 2.0726 2.0955 2.1911 2.2071 2.7523 2.7677 2.9190 2.9225 3.3641 3.3700 3.5443 3.5566 3.9471 3.9535 8.0424 8.0639 8.3443 8.3527 8.5533 8.5608 9.5134 9.5327 k = 0.3604 0.5682 0.2276 ( 4504 PWs) bands (ev): -8.0071 -8.0070 -7.7710 -7.7699 -7.3213 -7.3201 -7.1657 -7.1648 -3.4099 -3.4029 -3.3862 -3.3348 -2.8261 -2.7634 -2.7273 -2.7082 -2.6642 -2.6597 -0.5922 -0.5669 0.0053 0.0159 0.5692 0.5802 1.3288 1.3320 1.6650 1.6883 2.0458 2.0664 2.1963 2.2114 2.7592 2.7728 2.9043 2.9076 3.3299 3.3374 3.5755 3.5884 3.9662 3.9725 8.0762 8.0970 8.4017 8.4098 8.6163 8.6241 9.5507 9.5683 k = 0.3516 0.5794 0.2418 ( 4492 PWs) bands (ev): -8.0088 -8.0087 -7.7617 -7.7606 -7.3306 -7.3294 -7.1631 -7.1623 -3.4100 -3.4038 -3.3845 -3.3338 -2.8261 -2.7640 -2.7260 -2.7065 -2.6634 -2.6599 -0.6017 -0.5772 0.0465 0.0571 0.5446 0.5557 1.3052 1.3080 1.6521 1.6754 2.0165 2.0355 2.2068 2.2213 2.7670 2.7779 2.8886 2.8947 3.2953 3.3041 3.6048 3.6178 3.9837 3.9898 8.1133 8.1333 8.4608 8.4686 8.6792 8.6872 9.5812 9.5984 k = 0.3429 0.5907 0.2561 ( 4498 PWs) bands (ev): -8.0124 -8.0122 -7.7513 -7.7503 -7.3387 -7.3376 -7.1605 -7.1596 -3.4117 -3.4027 -3.3826 -3.3328 -2.8259 -2.7644 -2.7250 -2.7043 -2.6632 -2.6596 -0.6149 -0.5915 0.0862 0.0966 0.5275 0.5384 1.2805 1.2829 1.6379 1.6613 1.9875 2.0056 2.2192 2.2334 2.7730 2.7825 2.8739 2.8866 3.2603 3.2703 3.6315 3.6444 3.9993 4.0053 8.1535 8.1726 8.5213 8.5288 8.7411 8.7492 9.6069 9.6242 k = 0.3342 0.6019 0.2703 ( 4494 PWs) bands (ev): -8.0180 -8.0179 -7.7398 -7.7388 -7.3455 -7.3445 -7.1578 -7.1569 -3.4139 -3.4008 -3.3805 -3.3318 -2.8254 -2.7644 -2.7240 -2.7015 -2.6636 -2.6589 -0.6314 -0.6091 0.1212 0.1312 0.5207 0.5310 1.2548 1.2568 1.6232 1.6466 1.9600 1.9777 2.2316 2.2455 2.7725 2.7867 2.8639 2.8855 3.2254 3.2364 3.6552 3.6678 4.0131 4.0187 8.1963 8.2145 8.5827 8.5899 8.8013 8.8095 9.6286 9.6460 k = 0.3254 0.6131 0.2845 ( 4494 PWs) bands (ev): -8.0259 -8.0257 -7.7272 -7.7263 -7.3509 -7.3499 -7.1550 -7.1541 -3.4159 -3.3987 -3.3783 -3.3308 -2.8246 -2.7642 -2.7231 -2.6984 -2.6643 -2.6579 -0.6507 -0.6297 0.1480 0.1571 0.5272 0.5363 1.2281 1.2297 1.6086 1.6319 1.9345 1.9520 2.2429 2.2564 2.7657 2.7863 2.8634 2.8925 3.1906 3.2027 3.6756 3.6877 4.0247 4.0300 8.2412 8.2584 8.6447 8.6516 8.8590 8.8673 9.6466 9.6641 k = 0.3254 0.6131 0.2845 ( 4494 PWs) bands (ev): -8.0259 -8.0257 -7.7272 -7.7263 -7.3509 -7.3499 -7.1550 -7.1541 -3.4159 -3.3987 -3.3783 -3.3308 -2.8246 -2.7642 -2.7231 -2.6984 -2.6643 -2.6579 -0.6507 -0.6297 0.1480 0.1571 0.5272 0.5363 1.2281 1.2297 1.6086 1.6319 1.9345 1.9520 2.2429 2.2564 2.7657 2.7863 2.8634 2.8925 3.1906 3.2027 3.6756 3.6877 4.0247 4.0300 8.2412 8.2584 8.6447 8.6516 8.8590 8.8673 9.6466 9.6641 k = 0.3074 0.6077 0.2914 ( 4493 PWs) bands (ev): -8.0317 -8.0315 -7.7198 -7.7188 -7.3524 -7.3515 -7.1538 -7.1528 -3.4167 -3.3977 -3.3769 -3.3303 -2.8240 -2.7640 -2.7226 -2.6967 -2.6647 -2.6574 -0.6626 -0.6424 0.1587 0.1673 0.5365 0.5448 1.2129 1.2146 1.6008 1.6240 1.9251 1.9424 2.2481 2.2613 2.7587 2.7815 2.8656 2.8971 3.1771 3.1899 3.6839 3.6956 4.0291 4.0342 8.2648 8.2813 8.6714 8.6785 8.8909 8.8992 9.6505 9.6679 k = 0.2893 0.6023 0.2982 ( 4491 PWs) bands (ev): -8.0398 -8.0396 -7.7107 -7.7098 -7.3525 -7.3516 -7.1528 -7.1518 -3.4173 -3.3970 -3.3752 -3.3296 -2.8232 -2.7637 -2.7219 -2.6949 -2.6651 -2.6569 -0.6784 -0.6591 0.1706 0.1788 0.5501 0.5575 1.1938 1.1962 1.5911 1.6139 1.9201 1.9369 2.2536 2.2664 2.7464 2.7705 2.8680 2.9011 3.1697 3.1837 3.6908 3.7020 4.0321 4.0370 8.2911 8.3066 8.6931 8.7009 8.9318 8.9399 9.6480 9.6648 k = 0.2712 0.5969 0.3050 ( 4499 PWs) bands (ev): -8.0497 -8.0494 -7.7009 -7.7000 -7.3510 -7.3502 -7.1520 -7.1511 -3.4176 -3.3965 -3.3730 -3.3290 -2.8221 -2.7636 -2.7210 -2.6930 -2.6654 -2.6563 -0.6976 -0.6793 0.1845 0.1921 0.5668 0.5733 1.1718 1.1747 1.5791 1.6012 1.9194 1.9355 2.2594 2.2716 2.7296 2.7539 2.8717 2.9055 3.1679 3.1831 3.6962 3.7066 4.0336 4.0381 8.3193 8.3337 8.7127 8.7215 8.9790 8.9869 9.6410 9.6572 k = 0.2531 0.5915 0.3119 ( 4493 PWs) bands (ev): -8.0604 -8.0602 -7.6912 -7.6903 -7.3479 -7.3471 -7.1516 -7.1507 -3.4177 -3.3963 -3.3705 -3.3282 -2.8207 -2.7635 -2.7198 -2.6910 -2.6656 -2.6558 -0.7196 -0.7025 0.2007 0.2077 0.5855 0.5912 1.1475 1.1510 1.5643 1.5855 1.9227 1.9377 2.2653 2.2767 2.7093 2.7331 2.8770 2.9109 3.1705 3.1869 3.6997 3.7093 4.0335 4.0376 8.3484 8.3613 8.7332 8.7433 9.0300 9.0376 9.6323 9.6478 k = 0.2350 0.5862 0.3187 ( 4495 PWs) bands (ev): -8.0716 -8.0714 -7.6820 -7.6812 -7.3431 -7.3423 -7.1516 -7.1506 -3.4177 -3.3964 -3.3676 -3.3275 -2.8191 -2.7637 -2.7183 -2.6890 -2.6657 -2.6552 -0.7436 -0.7277 0.2193 0.2257 0.6056 0.6104 1.1220 1.1258 1.5464 1.5664 1.9295 1.9434 2.2710 2.2814 2.6872 2.7099 2.8838 2.9176 3.1764 3.1940 3.7012 3.7098 4.0318 4.0355 8.3771 8.3882 8.7573 8.7688 9.0825 9.0899 9.6241 9.6390 k = 0.2170 0.5808 0.3255 ( 4499 PWs) bands (ev): -8.0829 -8.0827 -7.6739 -7.6731 -7.3367 -7.3360 -7.1519 -7.1509 -3.4174 -3.3966 -3.3645 -3.3267 -2.8173 -2.7641 -2.7164 -2.6870 -2.6658 -2.6547 -0.7689 -0.7543 0.2401 0.2459 0.6262 0.6302 1.0960 1.1000 1.5250 1.5437 1.9396 1.9521 2.2763 2.2856 2.6642 2.6854 2.8926 2.9260 3.1845 3.2032 3.7005 3.7080 4.0287 4.0318 8.4040 8.4132 8.7871 8.8001 9.1349 9.1421 9.6182 9.6327 k = 0.1989 0.5754 0.3323 ( 4499 PWs) bands (ev): -8.0939 -8.0937 -7.6668 -7.6661 -7.3288 -7.3282 -7.1527 -7.1517 -3.4170 -3.3970 -3.3613 -3.3260 -2.8153 -2.7647 -2.7142 -2.6851 -2.6657 -2.6543 -0.7949 -0.7816 0.2628 0.2679 0.6469 0.6503 1.0704 1.0743 1.5002 1.5175 1.9525 1.9636 2.2809 2.2891 2.6412 2.6606 2.9036 2.9367 3.1940 3.2137 3.6975 3.7038 4.0242 4.0267 8.4280 8.4354 8.8238 8.8382 9.1857 9.1928 9.6161 9.6304 k = 0.1808 0.5700 0.3392 ( 4492 PWs) bands (ev): -8.1044 -8.1042 -7.6610 -7.6603 -7.3197 -7.3192 -7.1539 -7.1530 -3.4164 -3.3974 -3.3580 -3.3254 -2.8131 -2.7656 -2.7118 -2.6834 -2.6654 -2.6538 -0.8208 -0.8087 0.2870 0.2915 0.6672 0.6701 1.0459 1.0495 1.4723 1.4881 1.9676 1.9773 2.2848 2.2919 2.6184 2.6357 2.9172 2.9500 3.2041 3.2248 3.6921 3.6972 4.0185 4.0204 8.4486 8.4544 8.8680 8.8836 9.2335 9.2406 9.6188 9.6330 k = 0.1627 0.5646 0.3460 ( 4488 PWs) bands (ev): -8.1143 -8.1141 -7.6563 -7.6557 -7.3097 -7.3092 -7.1557 -7.1547 -3.4157 -3.3981 -3.3546 -3.3249 -2.8107 -2.7667 -2.7091 -2.6820 -2.6650 -2.6535 -0.8459 -0.8351 0.3122 0.3159 0.6870 0.6896 1.0229 1.0260 1.4416 1.4562 1.9844 1.9926 2.2878 2.2944 2.5958 2.6109 2.9338 2.9662 3.2140 3.2358 3.6844 3.6883 4.0119 4.0134 8.4658 8.4702 8.9194 8.9358 9.2770 9.2841 9.6272 9.6413 k = 0.1446 0.5592 0.3528 ( 4491 PWs) bands (ev): -8.1234 -8.1232 -7.6526 -7.6521 -7.2989 -7.2985 -7.1580 -7.1571 -3.4149 -3.3988 -3.3512 -3.3245 -2.8082 -2.7681 -2.7063 -2.6809 -2.6644 -2.6533 -0.8699 -0.8603 0.3375 0.3406 0.7061 0.7086 1.0019 1.0044 1.4090 1.4224 2.0022 2.0090 2.2902 2.2970 2.5732 2.5862 2.9534 2.9854 3.2231 3.2460 3.6744 3.6774 4.0047 4.0060 8.4798 8.4833 8.9772 8.9940 9.3151 9.3221 9.6416 9.6557 k = 0.1266 0.5538 0.3597 ( 4491 PWs) bands (ev): -8.1316 -8.1315 -7.6498 -7.6494 -7.2878 -7.2874 -7.1608 -7.1599 -3.4140 -3.3996 -3.3479 -3.3243 -2.8055 -2.7697 -2.7034 -2.6801 -2.6636 -2.6532 -0.8920 -0.8837 0.3624 0.3648 0.7247 0.7269 0.9831 0.9850 1.3752 1.3876 2.0202 2.0256 2.2925 2.3003 2.5504 2.5616 2.9760 3.0075 3.2308 3.2548 3.6626 3.6649 3.9971 3.9985 8.4912 8.4939 9.0401 9.0568 9.3472 9.3541 9.6616 9.6754 k = 0.1085 0.5484 0.3665 ( 4491 PWs) bands (ev): -8.1389 -8.1388 -7.6478 -7.6474 -7.2766 -7.2762 -7.1642 -7.1634 -3.4130 -3.4004 -3.3447 -3.3243 -2.8028 -2.7715 -2.7004 -2.6797 -2.6626 -2.6531 -0.9120 -0.9049 0.3860 0.3878 0.7427 0.7447 0.9662 0.9681 1.3414 1.3528 2.0376 2.0418 2.2956 2.3049 2.5271 2.5370 3.0009 3.0320 3.2364 3.2615 3.6493 3.6515 3.9897 3.9912 8.5005 8.5026 9.1064 9.1225 9.3735 9.3802 9.6856 9.6991 k = 0.0904 0.5430 0.3733 ( 4493 PWs) bands (ev): -8.1451 -8.1450 -7.6463 -7.6460 -7.2656 -7.2652 -7.1682 -7.1674 -3.4120 -3.4013 -3.3417 -3.3245 -2.7999 -2.7735 -2.6975 -2.6798 -2.6615 -2.6533 -0.9294 -0.9235 0.4075 0.4089 0.7604 0.7619 0.9511 0.9538 1.3088 1.3193 2.0536 2.0568 2.3005 2.3113 2.5033 2.5126 3.0277 3.0581 3.2394 3.2654 3.6354 3.6378 3.9828 3.9844 8.5079 8.5096 9.1741 9.1891 9.3946 9.4015 9.7116 9.7246 k = 0.0723 0.5376 0.3802 ( 4492 PWs) bands (ev): -8.1503 -8.1502 -7.6453 -7.6450 -7.2551 -7.2547 -7.1726 -7.1718 -3.4109 -3.4023 -3.3388 -3.3250 -2.7971 -2.7757 -2.6947 -2.6802 -2.6603 -2.6535 -0.9440 -0.9392 0.4261 0.4271 0.7776 0.7785 0.9379 0.9414 1.2789 1.2882 2.0673 2.0698 2.3079 2.3200 2.4792 2.4885 3.0553 3.0847 3.2394 3.2659 3.6221 3.6246 3.9768 3.9783 8.5139 8.5152 9.2402 9.2536 9.4119 9.4194 9.7369 9.7490 k = 0.0542 0.5322 0.3870 ( 4495 PWs) bands (ev): -8.1543 -8.1542 -7.6446 -7.6444 -7.2455 -7.2451 -7.1772 -7.1765 -3.4098 -3.4033 -3.3361 -3.3258 -2.7942 -2.7780 -2.6920 -2.6810 -2.6591 -2.6539 -0.9555 -0.9519 0.4413 0.4420 0.7939 0.7943 0.9264 0.9307 1.2533 1.2611 2.0782 2.0803 2.3182 2.3309 2.4555 2.4650 3.0827 3.1101 3.2367 3.2625 3.6104 3.6128 3.9718 3.9732 8.5184 8.5194 9.3005 9.3114 9.4272 9.4357 9.7589 9.7697 k = 0.0362 0.5268 0.3938 ( 4498 PWs) bands (ev): -8.1572 -8.1572 -7.6442 -7.6440 -7.2373 -7.2369 -7.1817 -7.1811 -3.4087 -3.4043 -3.3337 -3.3268 -2.7913 -2.7805 -2.6895 -2.6821 -2.6580 -2.6544 -0.9636 -0.9612 0.4524 0.4528 0.8078 0.8087 0.9171 0.9212 1.2338 1.2395 2.0862 2.0878 2.3313 2.3434 2.4333 2.4428 3.1081 3.1316 3.2327 3.2553 3.6014 3.6033 3.9683 3.9692 8.5217 8.5223 9.3481 9.3559 9.4431 9.4520 9.7759 9.7845 k = 0.0181 0.5214 0.4007 ( 4496 PWs) bands (ev): -8.1590 -8.1589 -7.6439 -7.6439 -7.2314 -7.2312 -7.1851 -7.1848 -3.4076 -3.4054 -3.3316 -3.3281 -2.7885 -2.7831 -2.6873 -2.6835 -2.6569 -2.6551 -0.9683 -0.9671 0.4592 0.4595 0.8182 0.8190 0.9110 0.9137 1.2220 1.2251 2.0912 2.0920 2.3456 2.3545 2.4159 2.4234 3.1296 3.1443 3.2309 3.2453 3.5959 3.5970 3.9662 3.9667 8.5237 8.5240 9.3767 9.3808 9.4605 9.4666 9.7870 9.7920 k = 0.0000 0.5160 0.4075 ( 4500 PWs) bands (ev): -8.1595 -8.1595 -7.6438 -7.6438 -7.2291 -7.2291 -7.1864 -7.1864 -3.4065 -3.4065 -3.3297 -3.3297 -2.7858 -2.7858 -2.6852 -2.6852 -2.6560 -2.6560 -0.9695 -0.9695 0.4616 0.4616 0.8225 0.8225 0.9097 0.9097 1.2190 1.2190 2.0931 2.0931 2.3562 2.3562 2.4115 2.4115 3.1433 3.1433 3.2356 3.2356 3.5944 3.5944 3.9657 3.9657 8.5245 8.5245 9.3868 9.3868 9.4709 9.4709 9.7924 9.7924 k = 0.0000 0.5160 0.4075 ( 4500 PWs) bands (ev): -8.1595 -8.1595 -7.6438 -7.6438 -7.2291 -7.2291 -7.1864 -7.1864 -3.4065 -3.4065 -3.3297 -3.3297 -2.7858 -2.7858 -2.6852 -2.6852 -2.6560 -2.6560 -0.9695 -0.9695 0.4616 0.4616 0.8225 0.8225 0.9097 0.9097 1.2190 1.2190 2.0931 2.0931 2.3562 2.3562 2.4115 2.4115 3.1433 3.1433 3.2356 3.2356 3.5944 3.5944 3.9657 3.9657 8.5245 8.5245 9.3868 9.3868 9.4709 9.4709 9.7924 9.7924 k = 0.0086 0.5049 0.4215 ( 4490 PWs) bands (ev): -8.1590 -8.1590 -7.6438 -7.6437 -7.2297 -7.2296 -7.1865 -7.1864 -3.4072 -3.4055 -3.3310 -3.3282 -2.7880 -2.7832 -2.6865 -2.6839 -2.6565 -2.6553 -0.9704 -0.9694 0.4560 0.4582 0.7979 0.8059 0.9251 0.9334 1.2217 1.2229 2.0936 2.0947 2.3419 2.3511 2.4184 2.4290 3.1399 3.1464 3.2339 3.2404 3.5944 3.5958 3.9653 3.9660 8.5226 8.5236 9.3777 9.3815 9.4684 9.4740 9.7861 9.7949 k = 0.0172 0.4938 0.4356 ( 4490 PWs) bands (ev): -8.1575 -8.1575 -7.6437 -7.6436 -7.2314 -7.2312 -7.1867 -7.1866 -3.4078 -3.4044 -3.3323 -3.3268 -2.7900 -2.7804 -2.6877 -2.6825 -2.6569 -2.6545 -0.9721 -0.9702 0.4416 0.4459 0.7572 0.7667 0.9606 0.9706 1.2307 1.2334 2.0957 2.0980 2.3234 2.3343 2.4421 2.4560 3.1366 3.1491 3.2357 3.2479 3.5956 3.5984 3.9648 3.9661 8.5180 8.5199 9.3575 9.3636 9.4648 9.4748 9.7774 9.7930 k = 0.0259 0.4827 0.4497 ( 4496 PWs) bands (ev): -8.1550 -8.1549 -7.6435 -7.6433 -7.2341 -7.2338 -7.1870 -7.1869 -3.4081 -3.4032 -3.3335 -3.3253 -2.7917 -2.7775 -2.6888 -2.6812 -2.6572 -2.6537 -0.9745 -0.9716 0.4189 0.4251 0.7134 0.7229 0.9982 1.0082 1.2462 1.2503 2.0984 2.1025 2.3082 2.3189 2.4706 2.4858 3.1338 3.1511 3.2408 3.2576 3.5982 3.6022 3.9641 3.9662 8.5105 8.5132 9.3307 9.3382 9.4568 9.4700 9.7680 9.7875 k = 0.0345 0.4716 0.4637 ( 4494 PWs) bands (ev): -8.1514 -8.1513 -7.6432 -7.6430 -7.2377 -7.2373 -7.1876 -7.1874 -3.4082 -3.4018 -3.3346 -3.3238 -2.7931 -2.7744 -2.6897 -2.6800 -2.6573 -2.6529 -0.9775 -0.9738 0.3886 0.3965 0.6691 0.6784 1.0333 1.0428 1.2676 1.2734 2.1005 2.1067 2.2995 2.3095 2.5005 2.5167 3.1318 3.1528 3.2488 3.2691 3.6020 3.6074 3.9633 3.9661 8.5000 8.5035 9.3009 9.3090 9.4426 9.4581 9.7593 9.7802 k = 0.0431 0.4605 0.4778 ( 4496 PWs) bands (ev): -8.1469 -8.1467 -7.6429 -7.6426 -7.2422 -7.2418 -7.1883 -7.1880 -3.4081 -3.4003 -3.3355 -3.3223 -2.7941 -2.7712 -2.6905 -2.6790 -2.6571 -2.6521 -0.9809 -0.9764 0.3519 0.3612 0.6251 0.6339 1.0645 1.0734 1.2943 1.3018 2.1008 2.1094 2.2991 2.3085 2.5308 2.5478 3.1306 3.1543 3.2593 3.2818 3.6072 3.6138 3.9623 3.9658 8.4865 8.4906 9.2706 9.2788 9.4221 9.4390 9.7520 9.7728 k = 0.0517 0.4494 0.4918 ( 4494 PWs) bands (ev): -8.1413 -8.1412 -7.6426 -7.6423 -7.2476 -7.2471 -7.1892 -7.1889 -3.4078 -3.3987 -3.3363 -3.3209 -2.7947 -2.7679 -2.6910 -2.6781 -2.6566 -2.6513 -0.9845 -0.9793 0.3100 0.3204 0.5812 0.5897 1.0913 1.0998 1.3255 1.3345 2.0988 2.1100 2.3081 2.3172 2.5610 2.5786 3.1304 3.1561 3.2716 3.2956 3.6138 3.6215 3.9611 3.9653 8.4698 8.4744 9.2413 9.2493 9.3960 9.4139 9.7468 9.7666 k = 0.0603 0.4383 0.5059 ( 4490 PWs) bands (ev): -8.1348 -8.1346 -7.6423 -7.6420 -7.2537 -7.2531 -7.1904 -7.1900 -3.4072 -3.3970 -3.3370 -3.3196 -2.7949 -2.7646 -2.6914 -2.6775 -2.6560 -2.6506 -0.9881 -0.9823 0.2644 0.2756 0.5373 0.5454 1.1135 1.1218 1.3601 1.3703 2.0956 2.1090 2.3258 2.3349 2.5906 2.6090 3.1311 3.1584 3.2850 3.3099 3.6217 3.6304 3.9596 3.9645 8.4499 8.4549 9.2141 9.2216 9.3654 9.3839 9.7440 9.7625 k = 0.0690 0.4272 0.5199 ( 4490 PWs) bands (ev): -8.1273 -8.1271 -7.6422 -7.6418 -7.2604 -7.2598 -7.1919 -7.1914 -3.4064 -3.3953 -3.3376 -3.3184 -2.7948 -2.7613 -2.6916 -2.6770 -2.6551 -2.6499 -0.9915 -0.9851 0.2161 0.2278 0.4931 0.5007 1.1311 1.1396 1.3973 1.4083 2.0925 2.1076 2.3511 2.3603 2.6196 2.6387 3.1329 3.1613 3.2992 3.3243 3.6310 3.6405 3.9578 3.9633 8.4268 8.4319 9.1893 9.1963 9.3319 9.3508 9.7438 9.7613 k = 0.0776 0.4162 0.5340 ( 4486 PWs) bands (ev): -8.1189 -8.1187 -7.6422 -7.6418 -7.2677 -7.2670 -7.1936 -7.1930 -3.4054 -3.3934 -3.3381 -3.3173 -2.7942 -2.7580 -2.6915 -2.6767 -2.6542 -2.6493 -0.9944 -0.9876 0.1662 0.1782 0.4483 0.4556 1.1440 1.1528 1.4366 1.4481 2.0908 2.1073 2.3822 2.3914 2.6480 2.6677 3.1356 3.1649 3.3136 3.3386 3.6416 3.6518 3.9556 3.9618 8.4006 8.4058 9.1671 9.1734 9.2972 9.3164 9.7466 9.7632 k = 0.0862 0.4051 0.5480 ( 4486 PWs) bands (ev): -8.1096 -8.1093 -7.6425 -7.6421 -7.2754 -7.2747 -7.1955 -7.1948 -3.4041 -3.3915 -3.3384 -3.3163 -2.7933 -2.7547 -2.6914 -2.6765 -2.6532 -2.6487 -0.9966 -0.9895 0.1155 0.1277 0.4030 0.4100 1.1521 1.1615 1.4776 1.4894 2.0915 2.1090 2.4173 2.4267 2.6758 2.6961 3.1391 3.1692 3.3279 3.3524 3.6534 3.6641 3.9530 3.9599 8.3715 8.3766 9.1468 9.1526 9.2631 9.2823 9.7526 9.7684 k = 0.0948 0.3940 0.5621 ( 4484 PWs) bands (ev): -8.0994 -8.0991 -7.6432 -7.6428 -7.2835 -7.2827 -7.1976 -7.1969 -3.4026 -3.3896 -3.3387 -3.3156 -2.7920 -2.7514 -2.6911 -2.6764 -2.6523 -2.6482 -0.9978 -0.9905 0.0646 0.0768 0.3572 0.3640 1.1556 1.1654 1.5203 1.5321 2.0950 2.1133 2.4548 2.4644 2.7034 2.7242 3.1435 3.1741 3.3418 3.3654 3.6663 3.6774 3.9499 3.9575 8.3398 8.3447 9.1275 9.1328 9.2319 9.2507 9.7619 9.7773 k = 0.1034 0.3829 0.5761 ( 4490 PWs) bands (ev): -8.0883 -8.0880 -7.6444 -7.6439 -7.2918 -7.2909 -7.2000 -7.1991 -3.4008 -3.3876 -3.3388 -3.3150 -2.7903 -2.7482 -2.6906 -2.6764 -2.6516 -2.6477 -0.9979 -0.9904 0.0140 0.0261 0.3112 0.3177 1.1546 1.1648 1.5644 1.5762 2.1015 2.1204 2.4929 2.5029 2.7315 2.7525 3.1487 3.1797 3.3551 3.3776 3.6800 3.6913 3.9465 3.9546 8.3058 8.3103 9.1079 9.1126 9.2056 9.2232 9.7746 9.7898 k = 0.1121 0.3718 0.5902 ( 4488 PWs) bands (ev): -8.0764 -8.0761 -7.6461 -7.6456 -7.3001 -7.2992 -7.2026 -7.2016 -3.3989 -3.3856 -3.3389 -3.3147 -2.7882 -2.7451 -2.6901 -2.6764 -2.6512 -2.6471 -0.9967 -0.9891 -0.0360 -0.0241 0.2652 0.2716 1.1496 1.1600 1.6097 1.6216 2.1109 2.1302 2.5297 2.5404 2.7607 2.7816 3.1545 3.1858 3.3675 3.3889 3.6943 3.7057 3.9427 3.9514 8.2697 8.2740 9.0871 9.0908 9.1861 9.2013 9.7909 9.8061 k = 0.1207 0.3607 0.6042 ( 4482 PWs) bands (ev): -8.0637 -8.0634 -7.6485 -7.6480 -7.3083 -7.3074 -7.2053 -7.2042 -3.3967 -3.3836 -3.3390 -3.3146 -2.7858 -2.7420 -2.6896 -2.6764 -2.6512 -2.6465 -0.9938 -0.9863 -0.0852 -0.0735 0.2195 0.2257 1.1413 1.1518 1.6558 1.6678 2.1231 2.1426 2.5635 2.5753 2.7918 2.8119 3.1611 3.1925 3.3791 3.3992 3.7088 3.7201 3.9386 3.9478 8.2320 8.2359 9.0649 9.0680 9.1733 9.1855 9.8107 9.8260 k = 0.1293 0.3496 0.6183 ( 4480 PWs) bands (ev): -8.0502 -8.0499 -7.6517 -7.6513 -7.3164 -7.3154 -7.2081 -7.2070 -3.3943 -3.3815 -3.3390 -3.3148 -2.7831 -2.7390 -2.6891 -2.6763 -2.6514 -2.6459 -0.9893 -0.9818 -0.1334 -0.1220 0.1745 0.1805 1.1303 1.1407 1.7023 1.7144 2.1377 2.1575 2.5930 2.6059 2.8252 2.8438 3.1684 3.1998 3.3898 3.4087 3.7229 3.7344 3.9344 3.9440 8.1930 8.1966 9.0421 9.0456 9.1657 9.1748 9.8337 9.8494 k = 0.1379 0.3385 0.6323 ( 4482 PWs) bands (ev): -8.0361 -8.0357 -7.6559 -7.6555 -7.3240 -7.3230 -7.2111 -7.2099 -3.3918 -3.3794 -3.3390 -3.3152 -2.7802 -2.7360 -2.6887 -2.6762 -2.6520 -2.6454 -0.9830 -0.9756 -0.1804 -0.1694 0.1305 0.1363 1.1173 1.1276 1.7486 1.7609 2.1547 2.1748 2.6172 2.6314 2.8605 2.8770 3.1767 3.2079 3.3998 3.4177 3.7362 3.7479 3.9302 3.9401 8.1533 8.1566 9.0203 9.0245 9.1617 9.1683 9.8597 9.8760 k = 0.1466 0.3274 0.6464 ( 4484 PWs) bands (ev): -8.0213 -8.0209 -7.6612 -7.6607 -7.3312 -7.3302 -7.2141 -7.2129 -3.3892 -3.3773 -3.3390 -3.3159 -2.7770 -2.7330 -2.6884 -2.6759 -2.6528 -2.6451 -0.9747 -0.9675 -0.2262 -0.2157 0.0878 0.0935 1.1030 1.1130 1.7940 1.8067 2.1740 2.1944 2.6363 2.6516 2.8963 2.9101 3.1864 3.2172 3.4091 3.4264 3.7483 3.7602 3.9262 3.9364 8.1133 8.1162 9.0007 9.0056 9.1602 9.1645 9.8877 9.9049 k = 0.1552 0.3163 0.6604 ( 4480 PWs) bands (ev): -8.0059 -8.0055 -7.6676 -7.6671 -7.3378 -7.3368 -7.2172 -7.2160 -3.3864 -3.3751 -3.3390 -3.3168 -2.7736 -2.7301 -2.6883 -2.6756 -2.6539 -2.6449 -0.9644 -0.9575 -0.2708 -0.2609 0.0469 0.0524 1.0879 1.0976 1.8377 1.8509 2.1956 2.2165 2.6504 2.6670 2.9304 2.9414 3.1979 3.2281 3.4182 3.4354 3.7585 3.7710 3.9227 3.9330 8.0736 8.0761 8.9839 8.9892 9.1600 9.1627 9.9162 9.9348 k = 0.1638 0.3052 0.6745 ( 4478 PWs) bands (ev): -7.9899 -7.9895 -7.6752 -7.6748 -7.3437 -7.3426 -7.2202 -7.2190 -3.3837 -3.3729 -3.3390 -3.3181 -2.7702 -2.7273 -2.6884 -2.6751 -2.6551 -2.6449 -0.9521 -0.9454 -0.3143 -0.3049 0.0081 0.0135 1.0726 1.0819 1.8789 1.8927 2.2195 2.2410 2.6604 2.6780 2.9602 2.9690 3.2118 3.2415 3.4271 3.4450 3.7667 3.7796 3.9199 3.9301 8.0347 8.0369 8.9700 8.9756 9.1603 9.1620 9.9426 9.9632 k = 0.1724 0.2941 0.6885 ( 4476 PWs) bands (ev): -7.9734 -7.9730 -7.6841 -7.6836 -7.3488 -7.3478 -7.2232 -7.2220 -3.3809 -3.3706 -3.3390 -3.3195 -2.7666 -2.7245 -2.6886 -2.6745 -2.6566 -2.6450 -0.9378 -0.9312 -0.3565 -0.3478 -0.0281 -0.0229 1.0576 1.0665 1.9170 1.9314 2.2459 2.2680 2.6668 2.6853 2.9832 2.9913 3.2283 3.2578 3.4364 3.4560 3.7725 3.7858 3.9179 3.9278 7.9972 7.9991 8.9593 8.9649 9.1603 9.1619 9.9637 9.9868 k = 0.1810 0.2830 0.7026 ( 4472 PWs) bands (ev): -7.9565 -7.9560 -7.6942 -7.6938 -7.3532 -7.3522 -7.2261 -7.2249 -3.3782 -3.3682 -3.3391 -3.3213 -2.7630 -2.7218 -2.6890 -2.6738 -2.6583 -2.6454 -0.9214 -0.9151 -0.3975 -0.3896 -0.0615 -0.0565 1.0433 1.0518 1.9512 1.9663 2.2747 2.2974 2.6702 2.6895 2.9983 3.0076 3.2467 3.2769 3.4465 3.4690 3.7759 3.7895 3.9168 3.9261 7.9617 7.9633 8.9513 8.9568 9.1597 9.1618 9.9783 10.0041 k = 0.1897 0.2719 0.7166 ( 4474 PWs) bands (ev): -7.9392 -7.9387 -7.7056 -7.7051 -7.3568 -7.3559 -7.2289 -7.2277 -3.3757 -3.3656 -3.3393 -3.3232 -2.7596 -2.7192 -2.6894 -2.6731 -2.6601 -2.6458 -0.9031 -0.8970 -0.4374 -0.4302 -0.0917 -0.0869 1.0299 1.0381 1.9811 1.9968 2.3055 2.3288 2.6710 2.6909 3.0061 3.0172 3.2657 3.2975 3.4579 3.4842 3.7771 3.7907 3.9163 3.9249 7.9287 7.9301 8.9459 8.9512 9.1585 9.1611 9.9893 10.0171 k = 0.1983 0.2608 0.7307 ( 4478 PWs) bands (ev): -7.9216 -7.9212 -7.7181 -7.7176 -7.3597 -7.3588 -7.2314 -7.2303 -3.3735 -3.3628 -3.3395 -3.3254 -2.7562 -2.7168 -2.6897 -2.6724 -2.6620 -2.6463 -0.8830 -0.8770 -0.4761 -0.4696 -0.1185 -0.1138 1.0179 1.0256 2.0066 2.0227 2.3377 2.3615 2.6696 2.6899 3.0080 3.0209 3.2835 3.3178 3.4712 3.5017 3.7764 3.7898 3.9162 3.9240 7.8989 7.9000 8.9428 8.9476 9.1565 9.1594 10.0001 10.0285 k = 0.2069 0.2497 0.7447 ( 4474 PWs) bands (ev): -7.9039 -7.9034 -7.7316 -7.7311 -7.3620 -7.3611 -7.2336 -7.2326 -3.3716 -3.3599 -3.3397 -3.3278 -2.7531 -2.7147 -2.6900 -2.6717 -2.6641 -2.6469 -0.8613 -0.8555 -0.5134 -0.5076 -0.1415 -0.1370 1.0073 1.0147 2.0277 2.0441 2.3703 2.3945 2.6662 2.6865 3.0057 3.0200 3.2989 3.3357 3.4862 3.5209 3.7743 3.7870 3.9163 3.9231 7.8727 7.8737 8.9414 8.9458 9.1539 9.1569 10.0124 10.0405 k = 0.2155 0.2386 0.7588 ( 4466 PWs) bands (ev): -7.8861 -7.8856 -7.7460 -7.7455 -7.3637 -7.3629 -7.2355 -7.2346 -3.3700 -3.3568 -3.3399 -3.3303 -2.7503 -2.7131 -2.6900 -2.6710 -2.6661 -2.6474 -0.8383 -0.8326 -0.5490 -0.5438 -0.1605 -0.1562 0.9984 1.0056 2.0445 2.0611 2.4021 2.4264 2.6612 2.6810 3.0009 3.0163 3.3113 3.3501 3.5024 3.5405 3.7711 3.7830 3.9163 3.9222 7.8507 7.8514 8.9414 8.9452 9.1508 9.1538 10.0269 10.0536 k = 0.2241 0.2275 0.7728 ( 4466 PWs) bands (ev): -7.8683 -7.8678 -7.7612 -7.7607 -7.3649 -7.3642 -7.2371 -7.2362 -3.3687 -3.3536 -3.3403 -3.3329 -2.7480 -2.7118 -2.6897 -2.6705 -2.6680 -2.6479 -0.8149 -0.8093 -0.5823 -0.5777 -0.1755 -0.1713 0.9914 0.9983 2.0573 2.0740 2.4313 2.4554 2.6555 2.6737 2.9951 3.0113 3.3206 3.3607 3.5183 3.5589 3.7677 3.7783 3.9161 3.9213 7.8330 7.8337 8.9422 8.9455 9.1477 9.1505 10.0429 10.0674 k = 0.2328 0.2164 0.7869 ( 4456 PWs) bands (ev): -7.8510 -7.8505 -7.7767 -7.7762 -7.3657 -7.3650 -7.2382 -7.2374 -3.3678 -3.3504 -3.3409 -3.3353 -2.7462 -2.7110 -2.6892 -2.6703 -2.6693 -2.6483 -0.7923 -0.7867 -0.6117 -0.6078 -0.1863 -0.1821 0.9862 0.9930 2.0663 2.0830 2.4558 2.4792 2.6500 2.6652 2.9898 3.0065 3.3270 3.3678 3.5316 3.5742 3.7645 3.7736 3.9159 3.9205 7.8202 7.8209 8.9434 8.9460 9.1450 9.1476 10.0587 10.0799 k = 0.2414 0.2053 0.8009 ( 4460 PWs) bands (ev): -7.8349 -7.8345 -7.7917 -7.7912 -7.3661 -7.3655 -7.2389 -7.2381 -3.3673 -3.3473 -3.3421 -3.3371 -2.7451 -2.7106 -2.6887 -2.6710 -2.6695 -2.6485 -0.7740 -0.7684 -0.6340 -0.6308 -0.1928 -0.1887 0.9832 0.9898 2.0717 2.0883 2.4728 2.4951 2.6468 2.6572 2.9860 3.0030 3.3307 3.3718 3.5407 3.5844 3.7623 3.7701 3.9158 3.9199 7.8124 7.8130 8.9443 8.9464 9.1432 9.1456 10.0716 10.0887 k = 0.2500 0.1942 0.8150 ( 4448 PWs) bands (ev): -7.8256 -7.8255 -7.8004 -7.8000 -7.3663 -7.3656 -7.2391 -7.2384 -3.3671 -3.3447 -3.3441 -3.3377 -2.7447 -2.7105 -2.6885 -2.6714 -2.6695 -2.6486 -0.7664 -0.7607 -0.6429 -0.6402 -0.1949 -0.1908 0.9821 0.9887 2.0734 2.0901 2.4790 2.5007 2.6462 2.6534 2.9847 3.0018 3.3319 3.3731 3.5438 3.5880 3.7615 3.7688 3.9157 3.9197 7.8098 7.8104 8.9447 8.9466 9.1425 9.1448 10.0768 10.0917 k = 0.2500 0.1942 0.8150 ( 4448 PWs) bands (ev): -7.8256 -7.8255 -7.8004 -7.8000 -7.3663 -7.3656 -7.2391 -7.2384 -3.3671 -3.3447 -3.3441 -3.3377 -2.7447 -2.7105 -2.6885 -2.6714 -2.6695 -2.6486 -0.7664 -0.7607 -0.6429 -0.6402 -0.1949 -0.1908 0.9821 0.9887 2.0734 2.0901 2.4790 2.5007 2.6462 2.6534 2.9847 3.0018 3.3319 3.3731 3.5438 3.5880 3.7615 3.7688 3.9157 3.9197 7.8098 7.8104 8.9447 8.9466 9.1425 9.1448 10.0768 10.0917 k = 0.2625 0.2039 0.8027 ( 4457 PWs) bands (ev): -7.8295 -7.8292 -7.7968 -7.7963 -7.3662 -7.3656 -7.2391 -7.2383 -3.3671 -3.3462 -3.3429 -3.3374 -2.7447 -2.7106 -2.6886 -2.6722 -2.6685 -2.6485 -0.7714 -0.7658 -0.6397 -0.6368 -0.1910 -0.1869 0.9841 0.9907 2.0687 2.0852 2.4748 2.4967 2.6483 2.6566 2.9838 3.0008 3.3337 3.3746 3.5436 3.5874 3.7620 3.7695 3.9164 3.9204 7.8088 7.8094 8.9465 8.9484 9.1420 9.1443 10.0755 10.0914 k = 0.2750 0.2136 0.7904 ( 4459 PWs) bands (ev): -7.8369 -7.8365 -7.7899 -7.7894 -7.3660 -7.3654 -7.2388 -7.2381 -3.3673 -3.3481 -3.3419 -3.3366 -2.7450 -2.7110 -2.6889 -2.6733 -2.6669 -2.6483 -0.7846 -0.7790 -0.6314 -0.6281 -0.1798 -0.1757 0.9898 0.9964 2.0549 2.0708 2.4646 2.4868 2.6527 2.6622 2.9813 2.9980 3.3392 3.3790 3.5431 3.5859 3.7637 3.7718 3.9183 3.9224 7.8056 7.8062 8.9523 8.9544 9.1402 9.1425 10.0724 10.0907 k = 0.2875 0.2234 0.7781 ( 4459 PWs) bands (ev): -7.8447 -7.8442 -7.7827 -7.7823 -7.3656 -7.3650 -7.2386 -7.2378 -3.3675 -3.3501 -3.3416 -3.3353 -2.7455 -2.7117 -2.6895 -2.6740 -2.6652 -2.6478 -0.8021 -0.7965 -0.6204 -0.6169 -0.1624 -0.1582 0.9991 1.0057 2.0327 2.0478 2.4509 2.4733 2.6566 2.6664 2.9777 2.9940 3.3477 3.3858 3.5430 3.5841 3.7666 3.7753 3.9214 3.9255 7.8001 7.8007 8.9625 8.9648 9.1372 9.1396 10.0680 10.0894 k = 0.3000 0.2331 0.7658 ( 4462 PWs) bands (ev): -7.8520 -7.8516 -7.7762 -7.7758 -7.3652 -7.3645 -7.2383 -7.2374 -3.3679 -3.3523 -3.3417 -3.3337 -2.7462 -2.7127 -2.6903 -2.6743 -2.6635 -2.6472 -0.8209 -0.8154 -0.6088 -0.6053 -0.1398 -0.1354 1.0118 1.0184 2.0035 2.0176 2.4347 2.4569 2.6587 2.6679 2.9733 2.9889 3.3583 3.3937 3.5441 3.5828 3.7705 3.7797 3.9255 3.9297 7.7924 7.7931 8.9771 8.9799 9.1331 9.1357 10.0623 10.0867 k = 0.3125 0.2428 0.7535 ( 4469 PWs) bands (ev): -7.8586 -7.8582 -7.7706 -7.7702 -7.3646 -7.3639 -7.2380 -7.2372 -3.3684 -3.3545 -3.3420 -3.3320 -2.7473 -2.7140 -2.6914 -2.6742 -2.6620 -2.6466 -0.8389 -0.8334 -0.5976 -0.5943 -0.1129 -0.1083 1.0276 1.0343 1.9686 1.9817 2.4158 2.4374 2.6591 2.6670 2.9681 2.9828 3.3695 3.4013 3.5472 3.5826 3.7752 3.7847 3.9307 3.9348 7.7830 7.7839 8.9960 8.9995 9.1282 9.1310 10.0546 10.0809 k = 0.3250 0.2525 0.7412 ( 4467 PWs) bands (ev): -7.8644 -7.8640 -7.7659 -7.7655 -7.3639 -7.3632 -7.2379 -7.2370 -3.3690 -3.3566 -3.3426 -3.3304 -2.7487 -2.7156 -2.6926 -2.6740 -2.6606 -2.6458 -0.8547 -0.8492 -0.5875 -0.5844 -0.0827 -0.0779 1.0462 1.0529 1.9296 1.9418 2.3936 2.4142 2.6583 2.6648 2.9617 2.9756 3.3800 3.4073 3.5527 3.5842 3.7801 3.7897 3.9369 3.9408 7.7725 7.7736 9.0186 9.0230 9.1227 9.1261 10.0442 10.0700 k = 0.3375 0.2622 0.7289 ( 4470 PWs) bands (ev): -7.8693 -7.8689 -7.7621 -7.7618 -7.3631 -7.3624 -7.2380 -7.2371 -3.3699 -3.3587 -3.3433 -3.3289 -2.7504 -2.7174 -2.6938 -2.6737 -2.6595 -2.6450 -0.8672 -0.8619 -0.5785 -0.5757 -0.0501 -0.0452 1.0672 1.0739 1.8880 1.8995 2.3681 2.3873 2.6572 2.6620 2.9540 2.9670 3.3887 3.4110 3.5607 3.5878 3.7849 3.7941 3.9439 3.9476 7.7615 7.7630 9.0443 9.0496 9.1174 9.1216 10.0307 10.0538 k = 0.3500 0.2719 0.7166 ( 4468 PWs) bands (ev): -7.8733 -7.8729 -7.7594 -7.7591 -7.3622 -7.3615 -7.2383 -7.2373 -3.3710 -3.3607 -3.3441 -3.3277 -2.7525 -2.7193 -2.6949 -2.6733 -2.6587 -2.6442 -0.8758 -0.8706 -0.5707 -0.5684 -0.0162 -0.0110 1.0903 1.0970 1.8450 1.8559 2.3393 2.3569 2.6561 2.6593 2.9449 2.9569 3.3951 3.4126 3.5706 3.5933 3.7888 3.7974 3.9517 3.9550 7.7510 7.7527 9.0713 9.0766 9.1135 9.1198 10.0140 10.0332 k = 0.3625 0.2816 0.7043 ( 4468 PWs) bands (ev): -7.8762 -7.8759 -7.7577 -7.7573 -7.3611 -7.3604 -7.2388 -7.2378 -3.3725 -3.3624 -3.3449 -3.3266 -2.7551 -2.7214 -2.6959 -2.6730 -2.6582 -2.6436 -0.8801 -0.8749 -0.5641 -0.5622 0.0184 0.0239 1.1149 1.1216 1.8020 1.8124 2.3079 2.3239 2.6549 2.6567 2.9342 2.9452 3.3992 3.4125 3.5814 3.6003 3.7915 3.7993 3.9596 3.9626 7.7417 7.7437 9.0914 9.0937 9.1192 9.1302 9.9946 10.0096 k = 0.3750 0.2913 0.6920 ( 4468 PWs) bands (ev): -7.8782 -7.8779 -7.7569 -7.7566 -7.3600 -7.3593 -7.2396 -7.2386 -3.3744 -3.3640 -3.3458 -3.3258 -2.7580 -2.7235 -2.6968 -2.6728 -2.6581 -2.6431 -0.8796 -0.8746 -0.5586 -0.5570 0.0528 0.0584 1.1406 1.1474 1.7599 1.7700 2.2746 2.2891 2.6531 2.6545 2.9220 2.9320 3.4011 3.4115 3.5926 3.6084 3.7926 3.7996 3.9671 3.9700 7.7342 7.7366 9.0935 9.0949 9.1452 9.1584 9.9722 9.9842 k = 0.3875 0.3010 0.6797 ( 4480 PWs) bands (ev): -7.8793 -7.8790 -7.7571 -7.7568 -7.3587 -7.3580 -7.2407 -7.2396 -3.3766 -3.3653 -3.3467 -3.3253 -2.7614 -2.7257 -2.6975 -2.6726 -2.6584 -2.6427 -0.8742 -0.8693 -0.5540 -0.5529 0.0860 0.0919 1.1668 1.1736 1.7199 1.7298 2.2405 2.2536 2.6502 2.6523 2.9085 2.9175 3.4014 3.4100 3.6037 3.6171 3.7918 3.7981 3.9736 3.9765 7.7293 7.7321 9.0900 9.0922 9.1775 9.1923 9.9468 9.9576 k = 0.4000 0.3108 0.6674 ( 4473 PWs) bands (ev): -7.8794 -7.8791 -7.7583 -7.7580 -7.3573 -7.3566 -7.2420 -7.2409 -3.3791 -3.3665 -3.3476 -3.3250 -2.7650 -2.7279 -2.6981 -2.6725 -2.6591 -2.6426 -0.8638 -0.8590 -0.5505 -0.5496 0.1175 0.1235 1.1929 1.1997 1.6828 1.6926 2.2066 2.2184 2.6462 2.6492 2.8939 2.9019 3.4005 3.4083 3.6143 3.6260 3.7890 3.7950 3.9783 3.9814 7.7274 7.7306 9.0862 9.0890 9.2110 9.2273 9.9184 9.9302 k = 0.4125 0.3205 0.6551 ( 4478 PWs) bands (ev): -7.8787 -7.8784 -7.7604 -7.7601 -7.3557 -7.3550 -7.2435 -7.2424 -3.3818 -3.3676 -3.3485 -3.3250 -2.7690 -2.7301 -2.6986 -2.6725 -2.6600 -2.6428 -0.8484 -0.8437 -0.5478 -0.5469 0.1462 0.1525 1.2181 1.2250 1.6497 1.6595 2.1736 2.1845 2.6410 2.6447 2.8786 2.8856 3.3988 3.4066 3.6245 3.6348 3.7842 3.7902 3.9807 3.9842 7.7288 7.7324 9.0827 9.0858 9.2439 9.2617 9.8880 9.9021 k = 0.4250 0.3302 0.6428 ( 4476 PWs) bands (ev): -7.8772 -7.8769 -7.7633 -7.7630 -7.3541 -7.3534 -7.2452 -7.2441 -3.3846 -3.3688 -3.3492 -3.3253 -2.7731 -2.7324 -2.6990 -2.6725 -2.6612 -2.6431 -0.8280 -0.8234 -0.5460 -0.5448 0.1717 0.1780 1.2416 1.2487 1.6213 1.6311 2.1427 2.1529 2.6341 2.6382 2.8631 2.8691 3.3967 3.4048 3.6342 3.6434 3.7775 3.7838 3.9804 3.9844 7.7337 7.7377 9.0794 9.0828 9.2751 9.2943 9.8572 9.8738 k = 0.4375 0.3399 0.6305 ( 4481 PWs) bands (ev): -7.8751 -7.8748 -7.7670 -7.7667 -7.3523 -7.3516 -7.2470 -7.2458 -3.3875 -3.3699 -3.3500 -3.3257 -2.7774 -2.7347 -2.6993 -2.6727 -2.6625 -2.6437 -0.8030 -0.7985 -0.5449 -0.5433 0.1932 0.1996 1.2626 1.2699 1.5982 1.6082 2.1145 2.1244 2.6252 2.6293 2.8477 2.8529 3.3941 3.4027 3.6433 3.6518 3.7690 3.7761 3.9773 3.9818 7.7421 7.7466 9.0759 9.0795 9.3035 9.3236 9.8278 9.8467 k = 0.4500 0.3496 0.6182 ( 4477 PWs) bands (ev): -7.8726 -7.8724 -7.7713 -7.7709 -7.3504 -7.3497 -7.2488 -7.2476 -3.3903 -3.3711 -3.3506 -3.3264 -2.7816 -2.7369 -2.6995 -2.6730 -2.6638 -2.6444 -0.7736 -0.7692 -0.5443 -0.5422 0.2103 0.2167 1.2803 1.2880 1.5809 1.5913 2.0900 2.0999 2.6141 2.6179 2.8328 2.8374 3.3912 3.4002 3.6518 3.6599 3.7589 3.7669 3.9714 3.9766 7.7539 7.7588 9.0719 9.0756 9.3277 9.3483 9.8020 9.8228 k = 0.4625 0.3593 0.6059 ( 4480 PWs) bands (ev): -7.8702 -7.8700 -7.7757 -7.7753 -7.3484 -7.3477 -7.2505 -7.2493 -3.3931 -3.3723 -3.3512 -3.3272 -2.7858 -2.7393 -2.6997 -2.6737 -2.6649 -2.6453 -0.7406 -0.7361 -0.5438 -0.5411 0.2228 0.2292 1.2941 1.3025 1.5693 1.5803 2.0699 2.0802 2.6004 2.6038 2.8188 2.8233 3.3876 3.3972 3.6594 3.6674 3.7473 3.7566 3.9632 3.9691 7.7688 7.7742 9.0663 9.0700 9.3465 9.3668 9.7822 9.8046 k = 0.4750 0.3690 0.5936 ( 4482 PWs) bands (ev): -7.8685 -7.8683 -7.7796 -7.7793 -7.3463 -7.3455 -7.2521 -7.2509 -3.3958 -3.3736 -3.3517 -3.3280 -2.7899 -2.7416 -2.6999 -2.6748 -2.6656 -2.6463 -0.7048 -0.7002 -0.5429 -0.5395 0.2307 0.2371 1.3037 1.3128 1.5630 1.5749 2.0549 2.0657 2.5842 2.5870 2.8059 2.8108 3.3832 3.3933 3.6657 3.6740 3.7344 3.7455 3.9534 3.9599 7.7864 7.7922 9.0583 9.0619 9.3589 9.3782 9.7697 9.7939 k = 0.4875 0.3787 0.5813 ( 4486 PWs) bands (ev): -7.8685 -7.8682 -7.7823 -7.7819 -7.3440 -7.3432 -7.2534 -7.2522 -3.3983 -3.3750 -3.3523 -3.3289 -2.7937 -2.7440 -2.7000 -2.6762 -2.6659 -2.6473 -0.6685 -0.6635 -0.5399 -0.5357 0.2342 0.2406 1.3093 1.3192 1.5613 1.5740 2.0455 2.0569 2.5653 2.5678 2.7944 2.8001 3.3778 3.3882 3.6692 3.6788 3.7210 3.7346 3.9429 3.9500 7.8062 7.8125 9.0465 9.0500 9.3650 9.3832 9.7627 9.7901 k = 0.5000 0.3884 0.5690 ( 4478 PWs) bands (ev): -7.8710 -7.8708 -7.7827 -7.7823 -7.3416 -7.3408 -7.2544 -7.2532 -3.4006 -3.3763 -3.3529 -3.3298 -2.7972 -2.7463 -2.7002 -2.6779 -2.6659 -2.6485 -0.6360 -0.6307 -0.5306 -0.5258 0.2341 0.2403 1.3114 1.3218 1.5629 1.5763 2.0419 2.0540 2.5440 2.5465 2.7844 2.7910 3.3709 3.3817 3.6671 3.6780 3.7107 3.7265 3.9327 3.9403 7.8276 7.8344 9.0299 9.0331 9.3664 9.3836 9.7507 9.7821 k = 0.5000 0.3884 0.5690 ( 4478 PWs) bands (ev): -7.8710 -7.8708 -7.7827 -7.7823 -7.3416 -7.3408 -7.2544 -7.2532 -3.4006 -3.3763 -3.3529 -3.3298 -2.7972 -2.7463 -2.7002 -2.6779 -2.6659 -2.6485 -0.6360 -0.6307 -0.5306 -0.5258 0.2341 0.2403 1.3114 1.3218 1.5629 1.5763 2.0419 2.0540 2.5440 2.5465 2.7844 2.7910 3.3709 3.3817 3.6671 3.6780 3.7107 3.7265 3.9327 3.9403 7.8276 7.8344 9.0299 9.0331 9.3664 9.3836 9.7507 9.7821 k = 0.5000 0.3884 0.5487 ( 4482 PWs) bands (ev): -7.8782 -7.8779 -7.7811 -7.7807 -7.3372 -7.3364 -7.2556 -7.2544 -3.4040 -3.3786 -3.3540 -3.3312 -2.8024 -2.7502 -2.7006 -2.6807 -2.6657 -2.6503 -0.5895 -0.5841 -0.5058 -0.5005 0.2314 0.2373 1.3126 1.3236 1.5680 1.5823 2.0406 2.0536 2.5072 2.5105 2.7696 2.7776 3.3581 3.3693 3.6569 3.6678 3.7000 3.7170 3.9165 3.9248 7.8639 7.8714 8.9923 8.9955 9.3614 9.3778 9.7131 9.7435 k = 0.5000 0.3884 0.5284 ( 4480 PWs) bands (ev): -7.8857 -7.8855 -7.7797 -7.7793 -7.3324 -7.3316 -7.2564 -7.2554 -3.4069 -3.3810 -3.3555 -3.3327 -2.8068 -2.7543 -2.7010 -2.6834 -2.6656 -2.6522 -0.5438 -0.5381 -0.4804 -0.4750 0.2300 0.2351 1.3143 1.3260 1.5739 1.5891 2.0388 2.0528 2.4716 2.4757 2.7557 2.7650 3.3446 3.3562 3.6462 3.6569 3.6894 3.7076 3.9000 3.9088 7.8995 7.9078 8.9448 8.9485 9.3443 9.3600 9.6704 9.6968 k = 0.5000 0.3884 0.5081 ( 4488 PWs) bands (ev): -7.8936 -7.8934 -7.7787 -7.7783 -7.3272 -7.3263 -7.2569 -7.2559 -3.4093 -3.3834 -3.3572 -3.3340 -2.8106 -2.7584 -2.7016 -2.6861 -2.6656 -2.6539 -0.5005 -0.4944 -0.4546 -0.4493 0.2305 0.2344 1.3168 1.3291 1.5807 1.5966 2.0365 2.0515 2.4378 2.4428 2.7430 2.7535 3.3305 3.3425 3.6349 3.6453 3.6792 3.6983 3.8834 3.8927 7.9337 7.9427 8.8895 8.8945 9.3113 9.3254 9.6229 9.6455 k = 0.5000 0.3884 0.4878 ( 4496 PWs) bands (ev): -7.9019 -7.9016 -7.7782 -7.7777 -7.3215 -7.3207 -7.2569 -7.2560 -3.4111 -3.3859 -3.3592 -3.3352 -2.8137 -2.7624 -2.7021 -2.6889 -2.6656 -2.6555 -0.4616 -0.4551 -0.4284 -0.4229 0.2340 0.2361 1.3203 1.3332 1.5884 1.6050 2.0339 2.0497 2.4062 2.4119 2.7318 2.7432 3.3157 3.3281 3.6229 3.6326 3.6699 3.6895 3.8669 3.8767 7.9658 7.9756 8.8287 8.8354 9.2617 9.2733 9.5734 9.5943 k = 0.5000 0.3884 0.4674 ( 4512 PWs) bands (ev): -7.9104 -7.9102 -7.7780 -7.7776 -7.3155 -7.3146 -7.2564 -7.2556 -3.4123 -3.3885 -3.3614 -3.3363 -2.8161 -2.7664 -2.7027 -2.6916 -2.6658 -2.6568 -0.4303 -0.4225 -0.4024 -0.3932 0.2412 0.2420 1.3250 1.3385 1.5971 1.6142 2.0308 2.0475 2.3774 2.3836 2.7221 2.7343 3.3002 3.3130 3.6098 3.6185 3.6618 3.6816 3.8508 3.8609 7.9951 8.0057 8.7645 8.7729 9.1981 9.2077 9.5244 9.5446 k = 0.5000 0.3884 0.4471 ( 4512 PWs) bands (ev): -7.9191 -7.9189 -7.7784 -7.7778 -7.3091 -7.3082 -7.2554 -7.2547 -3.4129 -3.3912 -3.3638 -3.3371 -2.8178 -2.7701 -2.7033 -2.6945 -2.6661 -2.6578 -0.4079 -0.3985 -0.3757 -0.3621 0.2516 0.2547 1.3312 1.3452 1.6067 1.6241 2.0274 2.0449 2.3516 2.3581 2.7142 2.7269 3.2841 3.2971 3.5954 3.6031 3.6551 3.6746 3.8352 3.8455 8.0209 8.0322 8.6983 8.7084 9.1246 9.1333 9.4776 9.4970 k = 0.5000 0.3884 0.4268 ( 4508 PWs) bands (ev): -7.9280 -7.9277 -7.7792 -7.7786 -7.3024 -7.3015 -7.2538 -7.2532 -3.4130 -3.3938 -3.3662 -3.3378 -2.8189 -2.7735 -2.7038 -2.6974 -2.6666 -2.6586 -0.3927 -0.3832 -0.3491 -0.3335 0.2680 0.2738 1.3390 1.3535 1.6171 1.6347 2.0239 2.0421 2.3291 2.3358 2.7080 2.7211 3.2672 3.2806 3.5796 3.5865 3.6499 3.6687 3.8204 3.8308 8.0426 8.0548 8.6314 8.6431 9.0451 9.0540 9.4335 9.4520 k = 0.5000 0.3884 0.4065 ( 4508 PWs) bands (ev): -7.9369 -7.9367 -7.7805 -7.7798 -7.2955 -7.2945 -7.2517 -7.2513 -3.4126 -3.3964 -3.3688 -3.3384 -2.8195 -2.7764 -2.7044 -2.7001 -2.6673 -2.6590 -0.3848 -0.3751 -0.3245 -0.3088 0.2910 0.2996 1.3483 1.3634 1.6283 1.6459 2.0205 2.0393 2.3101 2.3169 2.7035 2.7168 3.2497 3.2633 3.5622 3.5687 3.6460 3.6642 3.8064 3.8167 8.0598 8.0727 8.5647 8.5779 8.9627 8.9721 9.3930 9.4102 k = 0.5000 0.3884 0.3861 ( 4508 PWs) bands (ev): -7.9459 -7.9457 -7.7823 -7.7815 -7.2883 -7.2873 -7.2491 -7.2487 -3.4116 -3.3990 -3.3713 -3.3388 -2.8197 -2.7788 -2.7057 -2.7022 -2.6680 -2.6592 -0.3848 -0.3738 -0.3027 -0.2879 0.3210 0.3318 1.3593 1.3749 1.6401 1.6574 2.0175 2.0368 2.2949 2.3017 2.7008 2.7140 3.2315 3.2454 3.5431 3.5497 3.6435 3.6608 3.7933 3.8035 8.0721 8.0857 8.4990 8.5136 8.8792 8.8893 9.3562 9.3721 k = 0.5000 0.3884 0.3658 ( 4508 PWs) bands (ev): -7.9549 -7.9547 -7.7845 -7.7837 -7.2809 -7.2799 -7.2461 -7.2458 -3.4104 -3.4012 -3.3739 -3.3392 -2.8197 -2.7805 -2.7082 -2.7031 -2.6689 -2.6592 -0.3926 -0.3794 -0.2835 -0.2702 0.3573 0.3697 1.3717 1.3876 1.6521 1.6687 2.0154 2.0350 2.2835 2.2905 2.6997 2.7127 3.2128 3.2269 3.5225 3.5297 3.6421 3.6587 3.7813 3.7912 8.0794 8.0936 8.4350 8.4509 8.7963 8.8069 9.3232 9.3379 k = 0.5000 0.3884 0.3455 ( 4508 PWs) bands (ev): -7.9637 -7.9635 -7.7871 -7.7863 -7.2734 -7.2724 -7.2426 -7.2423 -3.4094 -3.4027 -3.3764 -3.3394 -2.8194 -2.7815 -2.7112 -2.7033 -2.6699 -2.6591 -0.4071 -0.3916 -0.2668 -0.2550 0.3989 0.4125 1.3853 1.4014 1.6639 1.6795 2.0145 2.0342 2.2762 2.2836 2.7001 2.7128 3.1936 3.2078 3.5005 3.5085 3.6419 3.6578 3.7703 3.7798 8.0818 8.0965 8.3731 8.3902 8.7147 8.7258 9.2938 9.3074 k = 0.5000 0.3884 0.3252 ( 4502 PWs) bands (ev): -7.9724 -7.9722 -7.7901 -7.7892 -7.2659 -7.2648 -7.2388 -7.2385 -3.4095 -3.4025 -3.3789 -3.3395 -2.8191 -2.7817 -2.7143 -2.7032 -2.6709 -2.6589 -0.4271 -0.4096 -0.2526 -0.2421 0.4447 0.4589 1.3996 1.4158 1.6749 1.6890 2.0155 2.0350 2.2731 2.2814 2.7019 2.7142 3.1739 3.1883 3.4771 3.4860 3.6427 3.6578 3.7603 3.7694 8.0796 8.0946 8.3139 8.3322 8.6353 8.6468 9.2673 9.2802 k = 0.5000 0.3884 0.3048 ( 4506 PWs) bands (ev): -7.9809 -7.9807 -7.7933 -7.7924 -7.2583 -7.2572 -7.2347 -7.2343 -3.4109 -3.4007 -3.3813 -3.3396 -2.8188 -2.7811 -2.7173 -2.7029 -2.6719 -2.6587 -0.4513 -0.4324 -0.2407 -0.2313 0.4936 0.5079 1.4143 1.4303 1.6842 1.6965 2.0189 2.0377 2.2748 2.2842 2.7051 2.7168 3.1539 3.1684 3.4523 3.4623 3.6444 3.6588 3.7514 3.7599 8.0734 8.0886 8.2579 8.2773 8.5587 8.5704 9.2429 9.2554 k = 0.5000 0.3884 0.2845 ( 4506 PWs) bands (ev): -7.9891 -7.9889 -7.7968 -7.7958 -7.2508 -7.2497 -7.2303 -7.2300 -3.4126 -3.3981 -3.3835 -3.3396 -2.8186 -2.7798 -2.7200 -2.7025 -2.6729 -2.6585 -0.4786 -0.4588 -0.2311 -0.2225 0.5446 0.5588 1.4290 1.4445 1.6910 1.7010 2.0249 2.0428 2.2817 2.2925 2.7095 2.7206 3.1336 3.1481 3.4262 3.4373 3.6468 3.6606 3.7435 3.7514 8.0638 8.0789 8.2054 8.2259 8.4854 8.4972 9.2193 9.2319 k = 0.5000 0.3884 0.2642 ( 4494 PWs) bands (ev): -7.9970 -7.9968 -7.8004 -7.7994 -7.2435 -7.2423 -7.2258 -7.2255 -3.4143 -3.3955 -3.3852 -3.3396 -2.8183 -2.7781 -2.7223 -2.7020 -2.6740 -2.6584 -0.5079 -0.4877 -0.2234 -0.2156 0.5968 0.6107 1.4432 1.4580 1.6945 1.7020 2.0334 2.0501 2.2944 2.3067 2.7149 2.7255 3.1131 3.1277 3.3988 3.4108 3.6498 3.6630 3.7365 3.7437 8.0515 8.0662 8.1569 8.1784 8.4156 8.4275 9.1950 9.2083 k = 0.5000 0.3884 0.2439 ( 4494 PWs) bands (ev): -8.0045 -8.0044 -7.8041 -7.8031 -7.2363 -7.2352 -7.2213 -7.2209 -3.4158 -3.3939 -3.3856 -3.3396 -2.8180 -2.7762 -2.7240 -2.7013 -2.6751 -2.6584 -0.5383 -0.5182 -0.2176 -0.2104 0.6495 0.6629 1.4567 1.4706 1.6942 1.6992 2.0439 2.0592 2.3134 2.3272 2.7214 2.7314 3.0925 3.1071 3.3699 3.3829 3.6533 3.6659 3.7303 3.7369 8.0372 8.0509 8.1128 8.1354 8.3499 8.3619 9.1687 9.1830 k = 0.5000 0.3884 0.2236 ( 4500 PWs) bands (ev): -8.0116 -8.0115 -7.8077 -7.8068 -7.2294 -7.2283 -7.2167 -7.2164 -3.4171 -3.3944 -3.3837 -3.3396 -2.8175 -2.7746 -2.7249 -2.7005 -2.6762 -2.6584 -0.5689 -0.5493 -0.2134 -0.2068 0.7021 0.7151 1.4692 1.4821 1.6898 1.6925 2.0556 2.0695 2.3390 2.3542 2.7287 2.7382 3.0719 3.0865 3.3396 3.3535 3.6571 3.6692 3.7250 3.7309 8.0213 8.0331 8.0738 8.0977 8.2886 8.3006 9.1385 9.1545 k = 0.5000 0.3884 0.2032 ( 4506 PWs) bands (ev): -8.0182 -8.0181 -7.8114 -7.8105 -7.2228 -7.2217 -7.2123 -7.2119 -3.4182 -3.3961 -3.3805 -3.3396 -2.8168 -2.7736 -2.7247 -2.6996 -2.6773 -2.6587 -0.5992 -0.5803 -0.2106 -0.2046 0.7542 0.7666 1.4805 1.4923 1.6814 1.6824 2.0677 2.0802 2.3713 2.3875 2.7369 2.7460 3.0515 3.0660 3.3076 3.3223 3.6609 3.6726 3.7204 3.7257 8.0037 8.0120 8.0416 8.0661 8.2318 8.2440 9.1033 9.1213 k = 0.5000 0.3884 0.1829 ( 4502 PWs) bands (ev): -8.0244 -8.0242 -7.8148 -7.8140 -7.2166 -7.2155 -7.2080 -7.2077 -3.4191 -3.3982 -3.3769 -3.3397 -2.8159 -2.7734 -2.7233 -2.6986 -2.6784 -2.6591 -0.6283 -0.6105 -0.2089 -0.2034 0.8053 0.8171 1.4907 1.5013 1.6685 1.6701 2.0795 2.0906 2.4097 2.4268 2.7459 2.7547 3.0312 3.0456 3.2740 3.2895 3.6647 3.6760 3.7166 3.7213 7.9841 7.9878 8.0171 8.0412 8.1801 8.1922 9.0626 9.0826 k = 0.5000 0.3884 0.1626 ( 4506 PWs) bands (ev): -8.0299 -8.0298 -7.8181 -7.8174 -7.2108 -7.2098 -7.2040 -7.2037 -3.4197 -3.4004 -3.3731 -3.3399 -2.8147 -2.7742 -2.7208 -2.6975 -2.6796 -2.6597 -0.6557 -0.6393 -0.2081 -0.2032 0.8549 0.8661 1.4996 1.5091 1.6525 1.6554 2.0906 2.1003 2.4535 2.4711 2.7557 2.7643 3.0111 3.0254 3.2386 3.2547 3.6683 3.6792 3.7134 3.7177 7.9629 7.9631 7.9990 8.0220 8.1335 8.1456 9.0170 9.0386 k = 0.5000 0.3884 0.1423 ( 4504 PWs) bands (ev): -8.0349 -8.0348 -7.8212 -7.8205 -7.2056 -7.2047 -7.2003 -7.2000 -3.4200 -3.4026 -3.3693 -3.3402 -2.8132 -2.7757 -2.7174 -2.6962 -2.6807 -2.6607 -0.6810 -0.6661 -0.2080 -0.2036 0.9025 0.9130 1.5074 1.5157 1.6345 1.6384 2.1007 2.1090 2.5017 2.5196 2.7661 2.7747 2.9915 3.0055 3.2012 3.2179 3.6716 3.6819 3.7110 3.7150 7.9404 7.9421 7.9851 8.0069 8.0924 8.1043 8.9685 8.9909 k = 0.5000 0.3884 0.1219 ( 4508 PWs) bands (ev): -8.0393 -8.0392 -7.8239 -7.8233 -7.2009 -7.2001 -7.1969 -7.1967 -3.4200 -3.4047 -3.3656 -3.3407 -2.8114 -2.7778 -2.7134 -2.6949 -2.6818 -2.6619 -0.7037 -0.6905 -0.2082 -0.2045 0.9475 0.9572 1.5140 1.5212 1.6152 1.6198 2.1097 2.1167 2.5531 2.5711 2.7772 2.7859 2.9722 2.9860 3.1619 3.1791 3.6743 3.6840 3.7093 3.7130 7.9208 7.9231 7.9742 7.9949 8.0571 8.0686 8.9197 8.9418 k = 0.5000 0.3884 0.1016 ( 4504 PWs) bands (ev): -8.0431 -8.0430 -7.8263 -7.8258 -7.1968 -7.1961 -7.1940 -7.1938 -3.4199 -3.4068 -3.3621 -3.3414 -2.8094 -2.7804 -2.7092 -2.6935 -2.6828 -2.6635 -0.7233 -0.7121 -0.2088 -0.2057 0.9891 0.9979 1.5196 1.5256 1.5955 1.6003 2.1175 2.1233 2.6067 2.6248 2.7889 2.7979 2.9536 2.9669 3.1205 3.1380 3.6766 3.6852 3.7084 3.7118 7.9043 7.9066 7.9656 7.9849 8.0279 8.0386 8.8733 8.8941 k = 0.5000 0.3884 0.0813 ( 4504 PWs) bands (ev): -8.0462 -8.0461 -7.8283 -7.8279 -7.1934 -7.1928 -7.1916 -7.1913 -3.4194 -3.4088 -3.3588 -3.3423 -2.8071 -2.7833 -2.7051 -2.6921 -2.6834 -2.6654 -0.7397 -0.7305 -0.2094 -0.2069 1.0266 1.0342 1.5242 1.5290 1.5763 1.5811 2.1240 2.1286 2.6614 2.6796 2.8013 2.8104 2.9357 2.9485 3.0770 3.0948 3.6785 3.6856 3.7083 3.7111 7.8908 7.8930 7.9590 7.9763 8.0054 8.0145 8.8321 8.8503 k = 0.5000 0.3884 0.0610 ( 4504 PWs) bands (ev): -8.0486 -8.0486 -7.8298 -7.8295 -7.1907 -7.1903 -7.1896 -7.1894 -3.4188 -3.4107 -3.3558 -3.3434 -2.8045 -2.7864 -2.7014 -2.6912 -2.6832 -2.6677 -0.7523 -0.7453 -0.2100 -0.2081 1.0585 1.0648 1.5277 1.5315 1.5590 1.5634 2.1293 2.1327 2.7165 2.7346 2.8142 2.8233 2.9189 2.9308 3.0315 3.0494 3.6799 3.6854 3.7087 3.7108 7.8804 7.8823 7.9540 7.9680 7.9901 7.9966 8.7983 8.8130 k = 0.5000 0.3884 0.0406 ( 4500 PWs) bands (ev): -8.0503 -8.0503 -7.8310 -7.8308 -7.1888 -7.1884 -7.1882 -7.1880 -3.4179 -3.4125 -3.3530 -3.3447 -2.8018 -2.7895 -2.6983 -2.6912 -2.6818 -2.6703 -0.7612 -0.7565 -0.2104 -0.2091 1.0836 1.0880 1.5302 1.5332 1.5451 1.5488 2.1333 2.1355 2.7709 2.7883 2.8280 2.8362 2.9038 2.9144 2.9840 3.0019 3.6810 3.6847 3.7093 3.7107 7.8730 7.8745 7.9504 7.9597 7.9815 7.9848 8.7736 8.7840 k = 0.5000 0.3884 0.0203 ( 4496 PWs) bands (ev): -8.0514 -8.0514 -7.8316 -7.8315 -7.1876 -7.1874 -7.1873 -7.1872 -3.4168 -3.4141 -3.3505 -3.3464 -2.7989 -2.7927 -2.6957 -2.6922 -2.6793 -2.6733 -0.7661 -0.7637 -0.2105 -0.2099 1.1000 1.1024 1.5316 1.5336 1.5365 1.5391 2.1359 2.1370 2.8212 2.8302 2.8468 2.8539 2.8928 2.9001 2.9353 2.9527 3.6820 3.6839 3.7099 3.7106 7.8687 7.8695 7.9485 7.9531 7.9774 7.9785 8.7594 8.7648 k = 0.5000 0.3884-0.0000 ( 4504 PWs) bands (ev): -8.0517 -8.0517 -7.8318 -7.8318 -7.1871 -7.1871 -7.1869 -7.1869 -3.4155 -3.4155 -3.3483 -3.3483 -2.7959 -2.7959 -2.6937 -2.6937 -2.6763 -2.6763 -0.7669 -0.7669 -0.2103 -0.2103 1.1065 1.1065 1.5319 1.5319 1.5356 1.5356 2.1371 2.1371 2.8405 2.8405 2.8798 2.8798 2.8924 2.8924 2.9047 2.9047 3.6830 3.6830 3.7103 3.7103 7.8676 7.8676 7.9493 7.9493 7.9764 7.9764 8.7564 8.7564 k = 0.0000 0.0000 0.8150 ( 4478 PWs) bands (ev): -7.8259 -7.8259 -7.8021 -7.8021 -7.3632 -7.3632 -7.2383 -7.2383 -3.3575 -3.3575 -3.3398 -3.3398 -2.7255 -2.7255 -2.6886 -2.6886 -2.6427 -2.6427 -0.9781 -0.9781 -0.7030 -0.7030 0.2603 0.2603 1.3098 1.3098 1.5448 1.5448 2.0433 2.0433 2.8603 2.8603 2.8995 2.8995 3.4665 3.4665 3.7465 3.7465 3.7884 3.7884 4.0419 4.0419 7.5466 7.5466 9.0313 9.0313 9.1521 9.1521 10.1032 10.1032 k = 0.0156 0.0121 0.8150 ( 4474 PWs) bands (ev): -7.8259 -7.8259 -7.8021 -7.8021 -7.3633 -7.3632 -7.2383 -7.2382 -3.3586 -3.3564 -3.3402 -3.3395 -2.7270 -2.7240 -2.6887 -2.6885 -2.6433 -2.6423 -0.9769 -0.9764 -0.7026 -0.7023 0.2554 0.2562 1.3047 1.3059 1.5493 1.5504 2.0477 2.0499 2.8589 2.8593 2.8993 2.9004 3.4657 3.4666 3.7442 3.7456 3.7880 3.7882 4.0406 4.0407 7.5487 7.5488 9.0322 9.0322 9.1508 9.1509 10.1027 10.1048 k = 0.0312 0.0243 0.8150 ( 4486 PWs) bands (ev): -7.8259 -7.8259 -7.8021 -7.8020 -7.3634 -7.3633 -7.2384 -7.2382 -3.3597 -3.3552 -3.3406 -3.3392 -2.7286 -2.7227 -2.6888 -2.6882 -2.6442 -2.6421 -0.9728 -0.9717 -0.7010 -0.7006 0.2416 0.2431 1.2912 1.2935 1.5638 1.5660 2.0627 2.0669 2.8552 2.8560 2.8997 2.9020 3.4642 3.4660 3.7387 3.7416 3.7869 3.7875 4.0367 4.0369 7.5553 7.5553 9.0350 9.0350 9.1470 9.1472 10.1030 10.1073 k = 0.0469 0.0364 0.8150 ( 4486 PWs) bands (ev): -7.8259 -7.8259 -7.8020 -7.8019 -7.3635 -7.3634 -7.2384 -7.2382 -3.3607 -3.3541 -3.3410 -3.3389 -2.7302 -2.7213 -2.6887 -2.6879 -2.6452 -2.6422 -0.9658 -0.9642 -0.6985 -0.6978 0.2199 0.2220 1.2707 1.2739 1.5873 1.5906 2.0868 2.0930 2.8491 2.8503 2.9008 2.9044 3.4619 3.4648 3.7299 3.7346 3.7855 3.7864 4.0304 4.0307 7.5660 7.5661 9.0395 9.0396 9.1406 9.1410 10.1035 10.1106 k = 0.0625 0.0486 0.8150 ( 4484 PWs) bands (ev): -7.8259 -7.8258 -7.8019 -7.8018 -7.3637 -7.3635 -7.2385 -7.2382 -3.3616 -3.3529 -3.3414 -3.3386 -2.7318 -2.7200 -2.6887 -2.6874 -2.6465 -2.6424 -0.9560 -0.9539 -0.6950 -0.6940 0.1912 0.1940 1.2447 1.2487 1.6189 1.6232 2.1183 2.1262 2.8407 2.8421 2.9028 2.9076 3.4586 3.4629 3.7177 3.7246 3.7838 3.7853 4.0220 4.0225 7.5806 7.5807 9.0457 9.0458 9.1316 9.1322 10.1035 10.1143 k = 0.0781 0.0607 0.8150 ( 4476 PWs) bands (ev): -7.8258 -7.8258 -7.8018 -7.8016 -7.3640 -7.3637 -7.2386 -7.2382 -3.3625 -3.3517 -3.3418 -3.3384 -2.7334 -2.7188 -2.6886 -2.6867 -2.6479 -2.6427 -0.9435 -0.9409 -0.6906 -0.6895 0.1571 0.1603 1.2153 1.2199 1.6570 1.6624 2.1550 2.1646 2.8298 2.8315 2.9056 2.9118 3.4541 3.4603 3.7025 3.7120 3.7819 3.7840 4.0119 4.0126 7.5986 7.5988 9.0534 9.0534 9.1199 9.1208 10.1026 10.1177 k = 0.0938 0.0728 0.8150 ( 4464 PWs) bands (ev): -7.8258 -7.8258 -7.8016 -7.8014 -7.3642 -7.3639 -7.2386 -7.2382 -3.3633 -3.3506 -3.3422 -3.3382 -2.7350 -2.7175 -2.6885 -2.6859 -2.6495 -2.6432 -0.9286 -0.9256 -0.6856 -0.6842 0.1189 0.1225 1.1840 1.1891 1.7001 1.7066 2.1952 2.2064 2.8164 2.8185 2.9093 2.9170 3.4483 3.4569 3.6847 3.6972 3.7800 3.7827 4.0004 4.0014 7.6197 7.6198 9.0620 9.0621 9.1056 9.1070 10.1010 10.1174 k = 0.1094 0.0850 0.8150 ( 4468 PWs) bands (ev): -7.8258 -7.8257 -7.8015 -7.8012 -7.3645 -7.3641 -7.2387 -7.2382 -3.3640 -3.3495 -3.3426 -3.3381 -2.7365 -2.7164 -2.6885 -2.6850 -2.6513 -2.6438 -0.9116 -0.9081 -0.6800 -0.6785 0.0780 0.0818 1.1522 1.1577 1.7469 1.7544 2.2371 2.2499 2.8007 2.8032 2.9141 2.9234 3.4409 3.4525 3.6650 3.6809 3.7779 3.7812 3.9882 3.9894 7.6430 7.6432 9.0699 9.0709 9.0897 9.0924 10.0997 10.1174 k = 0.1250 0.0971 0.8150 ( 4484 PWs) bands (ev): -7.8258 -7.8257 -7.8013 -7.8010 -7.3648 -7.3644 -7.2388 -7.2382 -3.3647 -3.3485 -3.3430 -3.3379 -2.7381 -2.7154 -2.6885 -2.6840 -2.6532 -2.6446 -0.8928 -0.8888 -0.6742 -0.6724 0.0356 0.0397 1.1210 1.1268 1.7959 1.8044 2.2792 2.2935 2.7828 2.7857 2.9201 2.9309 3.4315 3.4469 3.6440 3.6641 3.7757 3.7797 3.9756 3.9772 7.6679 7.6682 9.0657 9.0668 9.0853 9.0883 10.0990 10.1196 k = 0.1406 0.1092 0.8150 ( 4480 PWs) bands (ev): -7.8257 -7.8257 -7.8011 -7.8008 -7.3651 -7.3646 -7.2389 -7.2383 -3.3652 -3.3476 -3.3433 -3.3378 -2.7395 -2.7144 -2.6885 -2.6827 -2.6552 -2.6453 -0.8725 -0.8683 -0.6682 -0.6663 -0.0069 -0.0027 1.0915 1.0976 1.8455 1.8551 2.3200 2.3359 2.7629 2.7664 2.9274 2.9396 3.4201 3.4398 3.6229 3.6475 3.7734 3.7780 3.9633 3.9653 7.6936 7.6939 9.0473 9.0476 9.0949 9.0970 10.0983 10.1195 k = 0.1562 0.1214 0.8150 ( 4480 PWs) bands (ev): -7.8257 -7.8256 -7.8009 -7.8006 -7.3654 -7.3649 -7.2389 -7.2383 -3.3657 -3.3467 -3.3437 -3.3378 -2.7408 -2.7134 -2.6885 -2.6814 -2.6573 -2.6460 -0.8516 -0.8470 -0.6625 -0.6604 -0.0483 -0.0440 1.0644 1.0706 1.8944 1.9052 2.3583 2.3757 2.7416 2.7456 2.9360 2.9496 3.4065 3.4310 3.6027 3.6321 3.7710 3.7762 3.9517 3.9541 7.7191 7.7194 9.0262 9.0270 9.1053 9.1073 10.0964 10.1161 k = 0.1719 0.1335 0.8150 ( 4484 PWs) bands (ev): -7.8257 -7.8256 -7.8008 -7.8005 -7.3656 -7.3651 -7.2390 -7.2383 -3.3662 -3.3460 -3.3440 -3.3377 -2.7419 -2.7126 -2.6885 -2.6799 -2.6594 -2.6467 -0.8306 -0.8257 -0.6571 -0.6549 -0.0873 -0.0830 1.0404 1.0468 1.9411 1.9530 2.3929 2.4117 2.7194 2.7242 2.9457 2.9606 3.3910 3.4202 3.5846 3.6186 3.7686 3.7744 3.9412 3.9441 7.7433 7.7437 9.0052 9.0064 9.1154 9.1173 10.0931 10.1113 k = 0.1875 0.1457 0.8150 ( 4474 PWs) bands (ev): -7.8257 -7.8256 -7.8006 -7.8003 -7.3658 -7.3653 -7.2390 -7.2383 -3.3665 -3.3453 -3.3442 -3.3377 -2.7429 -2.7119 -2.6885 -2.6782 -2.6616 -2.6474 -0.8107 -0.8055 -0.6523 -0.6499 -0.1225 -0.1182 1.0200 1.0265 1.9837 1.9969 2.4227 2.4427 2.6976 2.7031 2.9562 2.9721 3.3746 3.4080 3.5695 3.6074 3.7664 3.7727 3.9323 3.9355 7.7653 7.7658 8.9857 8.9871 9.1244 9.1265 10.0888 10.1057 k = 0.2031 0.1578 0.8150 ( 4462 PWs) bands (ev): -7.8256 -7.8256 -7.8005 -7.8002 -7.3660 -7.3654 -7.2391 -7.2384 -3.3668 -3.3448 -3.3444 -3.3377 -2.7436 -2.7113 -2.6885 -2.6765 -2.6638 -2.6479 -0.7929 -0.7876 -0.6483 -0.6458 -0.1524 -0.1482 1.0037 1.0102 2.0204 2.0348 2.4468 2.4677 2.6775 2.6837 2.9667 2.9832 3.3585 3.3953 3.5580 3.5988 3.7644 3.7711 3.9251 3.9287 7.7838 7.7843 8.9688 8.9704 9.1320 9.1341 10.0843 10.1003 k = 0.2188 0.1699 0.8150 ( 4466 PWs) bands (ev): -7.8256 -7.8255 -7.8004 -7.8001 -7.3662 -7.3656 -7.2391 -7.2384 -3.3669 -3.3446 -3.3444 -3.3377 -2.7442 -2.7109 -2.6885 -2.6746 -2.6660 -2.6483 -0.7788 -0.7733 -0.6453 -0.6427 -0.1754 -0.1712 0.9918 0.9984 2.0489 2.0644 2.4645 2.4860 2.6610 2.6677 2.9759 2.9928 3.3447 3.3840 3.5500 3.5927 3.7628 3.7699 3.9199 3.9237 7.7980 7.7985 8.9558 8.9575 9.1377 9.1400 10.0804 10.0957 k = 0.2344 0.1821 0.8150 ( 4462 PWs) bands (ev): -7.8256 -7.8255 -7.8004 -7.8000 -7.3662 -7.3656 -7.2391 -7.2384 -3.3671 -3.3447 -3.3442 -3.3377 -2.7445 -2.7106 -2.6885 -2.6727 -2.6681 -2.6485 -0.7696 -0.7640 -0.6435 -0.6408 -0.1899 -0.1858 0.9845 0.9912 2.0671 2.0835 2.4754 2.4970 2.6501 2.6571 2.9824 2.9994 3.3353 3.3760 3.5453 3.5892 3.7618 3.7691 3.9167 3.9207 7.8068 7.8074 8.9475 8.9494 9.1413 9.1436 10.0778 10.0928 k = 0.2500 0.1942 0.8150 ( 4448 PWs) bands (ev): -7.8256 -7.8255 -7.8004 -7.8000 -7.3663 -7.3656 -7.2391 -7.2384 -3.3671 -3.3447 -3.3441 -3.3377 -2.7447 -2.7105 -2.6885 -2.6714 -2.6695 -2.6486 -0.7664 -0.7607 -0.6429 -0.6402 -0.1949 -0.1908 0.9821 0.9887 2.0734 2.0901 2.4790 2.5007 2.6462 2.6534 2.9847 3.0018 3.3319 3.3731 3.5438 3.5880 3.7615 3.7688 3.9157 3.9197 7.8098 7.8104 8.9447 8.9466 9.1425 9.1448 10.0768 10.0917 Writing output data file Al2CdS4.save init_run : 5.39s CPU 12.08s WALL ( 1 calls) electrons : 1062.61s CPU 1072.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.61s CPU 1.96s WALL ( 1 calls) Called by electrons: c_bands : 1062.56s CPU 1071.70s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.94s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.12s CPU 0.67s WALL ( 1 calls) newd : 1.43s CPU 1.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 285 calls) cegterg : 1000.81s CPU 1006.47s WALL ( 869 calls) Called by sum_band: Called by *egterg: h_psi : 580.95s CPU 591.51s WALL ( 15979 calls) s_psi : 61.82s CPU 62.12s WALL ( 15979 calls) g_psi : 0.68s CPU 0.76s WALL ( 14825 calls) cdiaghg : 280.52s CPU 277.25s WALL ( 15110 calls) cegterg:over : 56.88s CPU 53.00s WALL ( 14825 calls) cegterg:upda : 11.68s CPU 16.13s WALL ( 14825 calls) cegterg:last : 10.04s CPU 10.89s WALL ( 2117 calls) Called by h_psi: h_psi:vloc : 467.35s CPU 475.68s WALL ( 15979 calls) h_psi:vnl : 113.28s CPU 114.83s WALL ( 15979 calls) add_vuspsi : 45.25s CPU 50.15s WALL ( 15979 calls) General routines calbec : 67.95s CPU 64.51s WALL ( 15979 calls) fft : 0.41s CPU 1.50s WALL ( 19 calls) ffts : 0.01s CPU 0.25s WALL ( 4 calls) fftw : 399.26s CPU 399.04s WALL ( 1255044 calls) interpolate : 0.24s CPU 0.49s WALL ( 4 calls) davcio : 0.04s CPU 1.99s WALL ( 570 calls) Parallel routines fft_scatter : 232.60s CPU 229.64s WALL ( 1255067 calls) PWSCF : 18m37.17s CPU 19m50.16s WALL This run was terminated on: 2:19:42 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=