Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:54: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Sn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 15 11 3 336 223 35 Max 16 12 4 340 233 41 Sum 1137 859 261 24385 16385 2705 bravais-lattice index = 14 lattice parameter (alat) = 7.6724 a.u. unit-cell volume = 364.9190 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.672447 celldm(2)= 1.000000 celldm(3)= 1.051240 celldm(4)= 0.480218 celldm(5)= 0.480218 celldm(6)= 0.265773 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.265773 0.964036 0.000000 ) a(3) = ( 0.504824 0.384483 0.838111 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.275688 -0.475864 ) b(2) = ( 0.000000 1.037306 -0.475864 ) b(3) = ( 0.000000 0.000000 1.193159 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Sn 14.00 118.71000 Sn( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 387 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0081967 0.0062428 -0.0078010), wk = 0.0025840 k( 3) = ( 0.0163934 0.0124855 -0.0156021), wk = 0.0025840 k( 4) = ( 0.0245902 0.0187283 -0.0234031), wk = 0.0025840 k( 5) = ( 0.0327869 0.0249711 -0.0312042), wk = 0.0025840 k( 6) = ( 0.0409836 0.0312138 -0.0390052), wk = 0.0025840 k( 7) = ( 0.0491803 0.0374566 -0.0468063), wk = 0.0025840 k( 8) = ( 0.0573770 0.0436994 -0.0546073), wk = 0.0025840 k( 9) = ( 0.0655738 0.0499421 -0.0624084), wk = 0.0025840 k( 10) = ( 0.0737705 0.0561849 -0.0702094), wk = 0.0025840 k( 11) = ( 0.0819672 0.0624277 -0.0780104), wk = 0.0025840 k( 12) = ( 0.0901639 0.0686704 -0.0858115), wk = 0.0025840 k( 13) = ( 0.0983607 0.0749132 -0.0936125), wk = 0.0025840 k( 14) = ( 0.1065574 0.0811560 -0.1014136), wk = 0.0025840 k( 15) = ( 0.1147541 0.0873988 -0.1092146), wk = 0.0025840 k( 16) = ( 0.1229508 0.0936415 -0.1170157), wk = 0.0025840 k( 17) = ( 0.1311475 0.0998843 -0.1248167), wk = 0.0025840 k( 18) = ( 0.1393443 0.1061271 -0.1326178), wk = 0.0025840 k( 19) = ( 0.1475410 0.1123698 -0.1404188), wk = 0.0025840 k( 20) = ( 0.1557377 0.1186126 -0.1482198), wk = 0.0025840 k( 21) = ( 0.1639344 0.1248554 -0.1560209), wk = 0.0025840 k( 22) = ( 0.1721312 0.1310981 -0.1638219), wk = 0.0025840 k( 23) = ( 0.1803279 0.1373409 -0.1716230), wk = 0.0025840 k( 24) = ( 0.1885246 0.1435837 -0.1794240), wk = 0.0025840 k( 25) = ( 0.1967213 0.1498264 -0.1872251), wk = 0.0025840 k( 26) = ( 0.2049180 0.1560692 -0.1950261), wk = 0.0025840 k( 27) = ( 0.2131147 0.1623120 -0.2028271), wk = 0.0025840 k( 28) = ( 0.2213115 0.1685548 -0.2106282), wk = 0.0025840 k( 29) = ( 0.2295082 0.1747975 -0.2184292), wk = 0.0025840 k( 30) = ( 0.2377049 0.1810403 -0.2262303), wk = 0.0025840 k( 31) = ( 0.2459016 0.1872831 -0.2340313), wk = 0.0025840 k( 32) = ( 0.2540984 0.1935258 -0.2418324), wk = 0.0025840 k( 33) = ( 0.2622951 0.1997686 -0.2496334), wk = 0.0025840 k( 34) = ( 0.2704918 0.2060114 -0.2574345), wk = 0.0025840 k( 35) = ( 0.2786885 0.2122541 -0.2652355), wk = 0.0025840 k( 36) = ( 0.2868852 0.2184969 -0.2730366), wk = 0.0025840 k( 37) = ( 0.2950820 0.2247397 -0.2808376), wk = 0.0025840 k( 38) = ( 0.3032787 0.2309824 -0.2886386), wk = 0.0025840 k( 39) = ( 0.3114754 0.2372252 -0.2964397), wk = 0.0025840 k( 40) = ( 0.3196721 0.2434680 -0.3042407), wk = 0.0025840 k( 41) = ( 0.3278688 0.2497107 -0.3120418), wk = 0.0025840 k( 42) = ( 0.3360656 0.2559535 -0.3198428), wk = 0.0025840 k( 43) = ( 0.3442623 0.2621963 -0.3276439), wk = 0.0025840 k( 44) = ( 0.3524590 0.2684390 -0.3354449), wk = 0.0025840 k( 45) = ( 0.3606557 0.2746818 -0.3432460), wk = 0.0025840 k( 46) = ( 0.3688525 0.2809246 -0.3510470), wk = 0.0025840 k( 47) = ( 0.3770492 0.2871673 -0.3588480), wk = 0.0025840 k( 48) = ( 0.3852459 0.2934101 -0.3666491), wk = 0.0025840 k( 49) = ( 0.3934426 0.2996529 -0.3744501), wk = 0.0025840 k( 50) = ( 0.4016393 0.3058957 -0.3822512), wk = 0.0025840 k( 51) = ( 0.4098361 0.3121384 -0.3900522), wk = 0.0025840 k( 52) = ( 0.4180328 0.3183812 -0.3978533), wk = 0.0025840 k( 53) = ( 0.4262295 0.3246240 -0.4056543), wk = 0.0025840 k( 54) = ( 0.4344262 0.3308667 -0.4134553), wk = 0.0025840 k( 55) = ( 0.4426230 0.3371095 -0.4212564), wk = 0.0025840 k( 56) = ( 0.4508197 0.3433523 -0.4290574), wk = 0.0025840 k( 57) = ( 0.4590164 0.3495950 -0.4368585), wk = 0.0025840 k( 58) = ( 0.4672131 0.3558378 -0.4446595), wk = 0.0025840 k( 59) = ( 0.4754098 0.3620806 -0.4524606), wk = 0.0025840 k( 60) = ( 0.4836066 0.3683233 -0.4602616), wk = 0.0025840 k( 61) = ( 0.4918033 0.3745661 -0.4680627), wk = 0.0025840 k( 62) = ( 0.5000000 0.3808089 -0.4758637), wk = 0.0025840 k( 63) = ( 0.5000000 0.3808089 -0.4758637), wk = 0.0025840 k( 64) = ( 0.5060593 0.3854237 -0.4658041), wk = 0.0025840 k( 65) = ( 0.5121186 0.3900386 -0.4557444), wk = 0.0025840 k( 66) = ( 0.5181778 0.3946534 -0.4456848), wk = 0.0025840 k( 67) = ( 0.5242371 0.3992683 -0.4356251), wk = 0.0025840 k( 68) = ( 0.5302964 0.4038832 -0.4255655), wk = 0.0025840 k( 69) = ( 0.5363557 0.4084980 -0.4155059), wk = 0.0025840 k( 70) = ( 0.5424150 0.4131129 -0.4054462), wk = 0.0025840 k( 71) = ( 0.5484742 0.4177277 -0.3953866), wk = 0.0025840 k( 72) = ( 0.5545335 0.4223426 -0.3853269), wk = 0.0025840 k( 73) = ( 0.5605928 0.4269574 -0.3752673), wk = 0.0025840 k( 74) = ( 0.5666521 0.4315723 -0.3652076), wk = 0.0025840 k( 75) = ( 0.5727114 0.4361871 -0.3551480), wk = 0.0025840 k( 76) = ( 0.5727114 0.4361871 -0.3551480), wk = 0.0025840 k( 77) = ( 0.5707979 0.4347298 -0.3426253), wk = 0.0025840 k( 78) = ( 0.5688844 0.4332725 -0.3301025), wk = 0.0025840 k( 79) = ( 0.5669710 0.4318152 -0.3175798), wk = 0.0025840 k( 80) = ( 0.5650575 0.4303579 -0.3050571), wk = 0.0025840 k( 81) = ( 0.5631441 0.4289005 -0.2925344), wk = 0.0025840 k( 82) = ( 0.5612306 0.4274432 -0.2800116), wk = 0.0025840 k( 83) = ( 0.5593172 0.4259859 -0.2674889), wk = 0.0025840 k( 84) = ( 0.5574037 0.4245286 -0.2549662), wk = 0.0025840 k( 85) = ( 0.5554902 0.4230712 -0.2424434), wk = 0.0025840 k( 86) = ( 0.5535768 0.4216139 -0.2299207), wk = 0.0025840 k( 87) = ( 0.5516633 0.4201566 -0.2173980), wk = 0.0025840 k( 88) = ( 0.5497499 0.4186993 -0.2048753), wk = 0.0025840 k( 89) = ( 0.5478364 0.4172419 -0.1923525), wk = 0.0025840 k( 90) = ( 0.5459230 0.4157846 -0.1798298), wk = 0.0025840 k( 91) = ( 0.5440095 0.4143273 -0.1673071), wk = 0.0025840 k( 92) = ( 0.5420961 0.4128700 -0.1547843), wk = 0.0025840 k( 93) = ( 0.5401826 0.4114127 -0.1422616), wk = 0.0025840 k( 94) = ( 0.5382691 0.4099553 -0.1297389), wk = 0.0025840 k( 95) = ( 0.5363557 0.4084980 -0.1172162), wk = 0.0025840 k( 96) = ( 0.5344422 0.4070407 -0.1046934), wk = 0.0025840 k( 97) = ( 0.5325288 0.4055834 -0.0921707), wk = 0.0025840 k( 98) = ( 0.5306153 0.4041260 -0.0796480), wk = 0.0025840 k( 99) = ( 0.5287019 0.4026687 -0.0671252), wk = 0.0025840 k( 100) = ( 0.5267884 0.4012114 -0.0546025), wk = 0.0025840 k( 101) = ( 0.5248749 0.3997541 -0.0420798), wk = 0.0025840 k( 102) = ( 0.5229615 0.3982967 -0.0295570), wk = 0.0025840 k( 103) = ( 0.5210480 0.3968394 -0.0170343), wk = 0.0025840 k( 104) = ( 0.5191346 0.3953821 -0.0045116), wk = 0.0025840 k( 105) = ( 0.5172211 0.3939248 0.0080111), wk = 0.0025840 k( 106) = ( 0.5153077 0.3924675 0.0205339), wk = 0.0025840 k( 107) = ( 0.5133942 0.3910101 0.0330566), wk = 0.0025840 k( 108) = ( 0.5114807 0.3895528 0.0455793), wk = 0.0025840 k( 109) = ( 0.5095673 0.3880955 0.0581021), wk = 0.0025840 k( 110) = ( 0.5076538 0.3866382 0.0706248), wk = 0.0025840 k( 111) = ( 0.5057404 0.3851808 0.0831475), wk = 0.0025840 k( 112) = ( 0.5038269 0.3837235 0.0956702), wk = 0.0025840 k( 113) = ( 0.5019135 0.3822662 0.1081930), wk = 0.0025840 k( 114) = ( 0.5000000 0.3808089 0.1207157), wk = 0.0025840 k( 115) = ( 0.5000000 0.3808089 0.1207157), wk = 0.0025840 k( 116) = ( 0.5076764 0.3707298 0.1207157), wk = 0.0025840 k( 117) = ( 0.5153529 0.3606506 0.1207157), wk = 0.0025840 k( 118) = ( 0.5230293 0.3505715 0.1207157), wk = 0.0025840 k( 119) = ( 0.5307057 0.3404924 0.1207157), wk = 0.0025840 k( 120) = ( 0.5383822 0.3304133 0.1207157), wk = 0.0025840 k( 121) = ( 0.5460586 0.3203342 0.1207157), wk = 0.0025840 k( 122) = ( 0.5537351 0.3102550 0.1207157), wk = 0.0025840 k( 123) = ( 0.5614115 0.3001759 0.1207157), wk = 0.0025840 k( 124) = ( 0.5690879 0.2900968 0.1207157), wk = 0.0025840 k( 125) = ( 0.5767644 0.2800177 0.1207157), wk = 0.0025840 k( 126) = ( 0.5844408 0.2699386 0.1207157), wk = 0.0025840 k( 127) = ( 0.5921172 0.2598594 0.1207157), wk = 0.0025840 k( 128) = ( 0.5997937 0.2497803 0.1207157), wk = 0.0025840 k( 129) = ( 0.6074701 0.2397012 0.1207157), wk = 0.0025840 k( 130) = ( 0.6151465 0.2296221 0.1207157), wk = 0.0025840 k( 131) = ( 0.6228230 0.2195430 0.1207157), wk = 0.0025840 k( 132) = ( 0.6304994 0.2094638 0.1207157), wk = 0.0025840 k( 133) = ( 0.6381759 0.1993847 0.1207157), wk = 0.0025840 k( 134) = ( 0.6458523 0.1893056 0.1207157), wk = 0.0025840 k( 135) = ( 0.6535287 0.1792265 0.1207157), wk = 0.0025840 k( 136) = ( 0.6612052 0.1691474 0.1207157), wk = 0.0025840 k( 137) = ( 0.6688816 0.1590682 0.1207157), wk = 0.0025840 k( 138) = ( 0.6765580 0.1489891 0.1207157), wk = 0.0025840 k( 139) = ( 0.6842345 0.1389100 0.1207157), wk = 0.0025840 k( 140) = ( 0.6919109 0.1288309 0.1207157), wk = 0.0025840 k( 141) = ( 0.6995874 0.1187518 0.1207157), wk = 0.0025840 k( 142) = ( 0.7072638 0.1086726 0.1207157), wk = 0.0025840 k( 143) = ( 0.7149402 0.0985935 0.1207157), wk = 0.0025840 k( 144) = ( 0.7226167 0.0885144 0.1207157), wk = 0.0025840 k( 145) = ( 0.7302931 0.0784353 0.1207157), wk = 0.0025840 k( 146) = ( 0.2697069 -0.3541237 0.5965794), wk = 0.0025840 k( 147) = ( 0.2620010 -0.3440059 0.5965794), wk = 0.0025840 k( 148) = ( 0.2542951 -0.3338881 0.5965794), wk = 0.0025840 k( 149) = ( 0.2465892 -0.3237702 0.5965794), wk = 0.0025840 k( 150) = ( 0.2388832 -0.3136524 0.5965794), wk = 0.0025840 k( 151) = ( 0.2311773 -0.3035346 0.5965794), wk = 0.0025840 k( 152) = ( 0.2234714 -0.2934168 0.5965794), wk = 0.0025840 k( 153) = ( 0.2157655 -0.2832990 0.5965794), wk = 0.0025840 k( 154) = ( 0.2080596 -0.2731811 0.5965794), wk = 0.0025840 k( 155) = ( 0.2003537 -0.2630633 0.5965794), wk = 0.0025840 k( 156) = ( 0.1926478 -0.2529455 0.5965794), wk = 0.0025840 k( 157) = ( 0.1849419 -0.2428277 0.5965794), wk = 0.0025840 k( 158) = ( 0.1772360 -0.2327099 0.5965794), wk = 0.0025840 k( 159) = ( 0.1695300 -0.2225920 0.5965794), wk = 0.0025840 k( 160) = ( 0.1618241 -0.2124742 0.5965794), wk = 0.0025840 k( 161) = ( 0.1541182 -0.2023564 0.5965794), wk = 0.0025840 k( 162) = ( 0.1464123 -0.1922386 0.5965794), wk = 0.0025840 k( 163) = ( 0.1387064 -0.1821208 0.5965794), wk = 0.0025840 k( 164) = ( 0.1310005 -0.1720029 0.5965794), wk = 0.0025840 k( 165) = ( 0.1232946 -0.1618851 0.5965794), wk = 0.0025840 k( 166) = ( 0.1155887 -0.1517673 0.5965794), wk = 0.0025840 k( 167) = ( 0.1078828 -0.1416495 0.5965794), wk = 0.0025840 k( 168) = ( 0.1001768 -0.1315317 0.5965794), wk = 0.0025840 k( 169) = ( 0.0924709 -0.1214138 0.5965794), wk = 0.0025840 k( 170) = ( 0.0847650 -0.1112960 0.5965794), wk = 0.0025840 k( 171) = ( 0.0770591 -0.1011782 0.5965794), wk = 0.0025840 k( 172) = ( 0.0693532 -0.0910604 0.5965794), wk = 0.0025840 k( 173) = ( 0.0616473 -0.0809426 0.5965794), wk = 0.0025840 k( 174) = ( 0.0539414 -0.0708247 0.5965794), wk = 0.0025840 k( 175) = ( 0.0462355 -0.0607069 0.5965794), wk = 0.0025840 k( 176) = ( 0.0385296 -0.0505891 0.5965794), wk = 0.0025840 k( 177) = ( 0.0308237 -0.0404713 0.5965794), wk = 0.0025840 k( 178) = ( 0.0231177 -0.0303535 0.5965794), wk = 0.0025840 k( 179) = ( 0.0154118 -0.0202356 0.5965794), wk = 0.0025840 k( 180) = ( 0.0077059 -0.0101178 0.5965794), wk = 0.0025840 k( 181) = ( 0.0000000 0.0000000 0.5965794), wk = 0.0025840 k( 182) = ( 0.0000000 0.0000000 0.5965794), wk = 0.0025840 k( 183) = ( 0.0101735 0.0077483 0.5965794), wk = 0.0025840 k( 184) = ( 0.0203471 0.0154967 0.5965794), wk = 0.0025840 k( 185) = ( 0.0305206 0.0232450 0.5965794), wk = 0.0025840 k( 186) = ( 0.0406942 0.0309934 0.5965794), wk = 0.0025840 k( 187) = ( 0.0508677 0.0387417 0.5965794), wk = 0.0025840 k( 188) = ( 0.0610412 0.0464901 0.5965794), wk = 0.0025840 k( 189) = ( 0.0712148 0.0542384 0.5965794), wk = 0.0025840 k( 190) = ( 0.0813883 0.0619868 0.5965794), wk = 0.0025840 k( 191) = ( 0.0915619 0.0697351 0.5965794), wk = 0.0025840 k( 192) = ( 0.1017354 0.0774835 0.5965794), wk = 0.0025840 k( 193) = ( 0.1119089 0.0852318 0.5965794), wk = 0.0025840 k( 194) = ( 0.1220825 0.0929802 0.5965794), wk = 0.0025840 k( 195) = ( 0.1322560 0.1007285 0.5965794), wk = 0.0025840 k( 196) = ( 0.1424295 0.1084769 0.5965794), wk = 0.0025840 k( 197) = ( 0.1526031 0.1162252 0.5965794), wk = 0.0025840 k( 198) = ( 0.1627766 0.1239736 0.5965794), wk = 0.0025840 k( 199) = ( 0.1729502 0.1317219 0.5965794), wk = 0.0025840 k( 200) = ( 0.1831237 0.1394703 0.5965794), wk = 0.0025840 k( 201) = ( 0.1932972 0.1472186 0.5965794), wk = 0.0025840 k( 202) = ( 0.2034708 0.1549670 0.5965794), wk = 0.0025840 k( 203) = ( 0.2136443 0.1627153 0.5965794), wk = 0.0025840 k( 204) = ( 0.2238179 0.1704637 0.5965794), wk = 0.0025840 k( 205) = ( 0.2339914 0.1782120 0.5965794), wk = 0.0025840 k( 206) = ( 0.2441649 0.1859603 0.5965794), wk = 0.0025840 k( 207) = ( 0.2543385 0.1937087 0.5965794), wk = 0.0025840 k( 208) = ( 0.2645120 0.2014570 0.5965794), wk = 0.0025840 k( 209) = ( 0.2746856 0.2092054 0.5965794), wk = 0.0025840 k( 210) = ( 0.2848591 0.2169537 0.5965794), wk = 0.0025840 k( 211) = ( 0.2950326 0.2247021 0.5965794), wk = 0.0025840 k( 212) = ( 0.3052062 0.2324504 0.5965794), wk = 0.0025840 k( 213) = ( 0.3153797 0.2401988 0.5965794), wk = 0.0025840 k( 214) = ( 0.3255533 0.2479471 0.5965794), wk = 0.0025840 k( 215) = ( 0.3357268 0.2556955 0.5965794), wk = 0.0025840 k( 216) = ( 0.3459003 0.2634438 0.5965794), wk = 0.0025840 k( 217) = ( 0.3560739 0.2711922 0.5965794), wk = 0.0025840 k( 218) = ( 0.3662474 0.2789405 0.5965794), wk = 0.0025840 k( 219) = ( 0.3764209 0.2866889 0.5965794), wk = 0.0025840 k( 220) = ( 0.3865945 0.2944372 0.5965794), wk = 0.0025840 k( 221) = ( 0.3967680 0.3021856 0.5965794), wk = 0.0025840 k( 222) = ( 0.4069416 0.3099339 0.5965794), wk = 0.0025840 k( 223) = ( 0.4171151 0.3176823 0.5965794), wk = 0.0025840 k( 224) = ( 0.4272886 0.3254306 0.5965794), wk = 0.0025840 k( 225) = ( 0.5000000 0.3808089 -0.4758637), wk = 0.0025840 k( 226) = ( 0.5072844 0.3712445 -0.4758637), wk = 0.0025840 k( 227) = ( 0.5145688 0.3616801 -0.4758637), wk = 0.0025840 k( 228) = ( 0.5218532 0.3521158 -0.4758637), wk = 0.0025840 k( 229) = ( 0.4781468 -0.6278042 -0.0000000), wk = 0.0025840 k( 230) = ( 0.4704348 -0.6176783 -0.0000000), wk = 0.0025840 k( 231) = ( 0.4627227 -0.6075525 -0.0000000), wk = 0.0025840 k( 232) = ( 0.4550107 -0.5974266 -0.0000000), wk = 0.0025840 k( 233) = ( 0.4472987 -0.5873007 -0.0000000), wk = 0.0025840 k( 234) = ( 0.4395866 -0.5771748 -0.0000000), wk = 0.0025840 k( 235) = ( 0.4318746 -0.5670490 -0.0000000), wk = 0.0025840 k( 236) = ( 0.4241625 -0.5569231 -0.0000000), wk = 0.0025840 k( 237) = ( 0.4164505 -0.5467972 -0.0000000), wk = 0.0025840 k( 238) = ( 0.4087384 -0.5366713 -0.0000000), wk = 0.0025840 k( 239) = ( 0.4010264 -0.5265455 -0.0000000), wk = 0.0025840 k( 240) = ( 0.3933143 -0.5164196 -0.0000000), wk = 0.0025840 k( 241) = ( 0.3856023 -0.5062937 -0.0000000), wk = 0.0025840 k( 242) = ( 0.3778902 -0.4961678 -0.0000000), wk = 0.0025840 k( 243) = ( 0.3701782 -0.4860420 -0.0000000), wk = 0.0025840 k( 244) = ( 0.3624661 -0.4759161 -0.0000000), wk = 0.0025840 k( 245) = ( 0.3547541 -0.4657902 -0.0000000), wk = 0.0025840 k( 246) = ( 0.3470420 -0.4556643 -0.0000000), wk = 0.0025840 k( 247) = ( 0.3393300 -0.4455385 -0.0000000), wk = 0.0025840 k( 248) = ( 0.3316180 -0.4354126 -0.0000000), wk = 0.0025840 k( 249) = ( 0.3239059 -0.4252867 -0.0000000), wk = 0.0025840 k( 250) = ( 0.3161939 -0.4151608 -0.0000000), wk = 0.0025840 k( 251) = ( 0.3084818 -0.4050350 -0.0000000), wk = 0.0025840 k( 252) = ( 0.3007698 -0.3949091 -0.0000000), wk = 0.0025840 k( 253) = ( 0.2930577 -0.3847832 -0.0000000), wk = 0.0025840 k( 254) = ( 0.2853457 -0.3746574 -0.0000000), wk = 0.0025840 k( 255) = ( 0.2776336 -0.3645315 -0.0000000), wk = 0.0025840 k( 256) = ( 0.2699216 -0.3544056 -0.0000000), wk = 0.0025840 k( 257) = ( 0.2622096 -0.3442797 -0.0000000), wk = 0.0025840 k( 258) = ( 0.2544975 -0.3341539 -0.0000000), wk = 0.0025840 k( 259) = ( 0.2467855 -0.3240280 -0.0000000), wk = 0.0025840 k( 260) = ( 0.2390734 -0.3139021 -0.0000000), wk = 0.0025840 k( 261) = ( 0.2313614 -0.3037762 -0.0000000), wk = 0.0025840 k( 262) = ( 0.2236493 -0.2936504 -0.0000000), wk = 0.0025840 k( 263) = ( 0.2159373 -0.2835245 -0.0000000), wk = 0.0025840 k( 264) = ( 0.2082252 -0.2733986 -0.0000000), wk = 0.0025840 k( 265) = ( 0.2005132 -0.2632727 -0.0000000), wk = 0.0025840 k( 266) = ( 0.1928011 -0.2531469 -0.0000000), wk = 0.0025840 k( 267) = ( 0.1850891 -0.2430210 -0.0000000), wk = 0.0025840 k( 268) = ( 0.1773771 -0.2328951 -0.0000000), wk = 0.0025840 k( 269) = ( 0.1696650 -0.2227692 -0.0000000), wk = 0.0025840 k( 270) = ( 0.1619530 -0.2126434 -0.0000000), wk = 0.0025840 k( 271) = ( 0.1542409 -0.2025175 -0.0000000), wk = 0.0025840 k( 272) = ( 0.1465289 -0.1923916 -0.0000000), wk = 0.0025840 k( 273) = ( 0.1388168 -0.1822657 -0.0000000), wk = 0.0025840 k( 274) = ( 0.1311048 -0.1721399 -0.0000000), wk = 0.0025840 k( 275) = ( 0.1233927 -0.1620140 -0.0000000), wk = 0.0025840 k( 276) = ( 0.1156807 -0.1518881 -0.0000000), wk = 0.0025840 k( 277) = ( 0.1079686 -0.1417622 -0.0000000), wk = 0.0025840 k( 278) = ( 0.1002566 -0.1316364 -0.0000000), wk = 0.0025840 k( 279) = ( 0.0925446 -0.1215105 -0.0000000), wk = 0.0025840 k( 280) = ( 0.0848325 -0.1113846 -0.0000000), wk = 0.0025840 k( 281) = ( 0.0771205 -0.1012587 -0.0000000), wk = 0.0025840 k( 282) = ( 0.0694084 -0.0911329 -0.0000000), wk = 0.0025840 k( 283) = ( 0.0616964 -0.0810070 -0.0000000), wk = 0.0025840 k( 284) = ( 0.0539843 -0.0708811 -0.0000000), wk = 0.0025840 k( 285) = ( 0.0462723 -0.0607552 -0.0000000), wk = 0.0025840 k( 286) = ( 0.0385602 -0.0506294 -0.0000000), wk = 0.0025840 k( 287) = ( 0.0308482 -0.0405035 -0.0000000), wk = 0.0025840 k( 288) = ( 0.0231361 -0.0303776 -0.0000000), wk = 0.0025840 k( 289) = ( 0.0154241 -0.0202517 -0.0000000), wk = 0.0025840 k( 290) = ( 0.0077120 -0.0101259 -0.0000000), wk = 0.0025840 k( 291) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 292) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 293) = ( 0.0111111 -0.0030632 -0.0052874), wk = 0.0025840 k( 294) = ( 0.0222222 -0.0061264 -0.0105747), wk = 0.0025840 k( 295) = ( 0.0333333 -0.0091896 -0.0158621), wk = 0.0025840 k( 296) = ( 0.0444444 -0.0122528 -0.0211495), wk = 0.0025840 k( 297) = ( 0.0555556 -0.0153160 -0.0264369), wk = 0.0025840 k( 298) = ( 0.0666667 -0.0183792 -0.0317242), wk = 0.0025840 k( 299) = ( 0.0777778 -0.0214424 -0.0370116), wk = 0.0025840 k( 300) = ( 0.0888889 -0.0245056 -0.0422990), wk = 0.0025840 k( 301) = ( 0.1000000 -0.0275688 -0.0475864), wk = 0.0025840 k( 302) = ( 0.1111111 -0.0306320 -0.0528737), wk = 0.0025840 k( 303) = ( 0.1222222 -0.0336953 -0.0581611), wk = 0.0025840 k( 304) = ( 0.1333333 -0.0367585 -0.0634485), wk = 0.0025840 k( 305) = ( 0.1444444 -0.0398217 -0.0687359), wk = 0.0025840 k( 306) = ( 0.1555556 -0.0428849 -0.0740232), wk = 0.0025840 k( 307) = ( 0.1666667 -0.0459481 -0.0793106), wk = 0.0025840 k( 308) = ( 0.1777778 -0.0490113 -0.0845980), wk = 0.0025840 k( 309) = ( 0.1888889 -0.0520745 -0.0898854), wk = 0.0025840 k( 310) = ( 0.2000000 -0.0551377 -0.0951727), wk = 0.0025840 k( 311) = ( 0.2111111 -0.0582009 -0.1004601), wk = 0.0025840 k( 312) = ( 0.2222222 -0.0612641 -0.1057475), wk = 0.0025840 k( 313) = ( 0.2333333 -0.0643273 -0.1110349), wk = 0.0025840 k( 314) = ( 0.2444444 -0.0673905 -0.1163222), wk = 0.0025840 k( 315) = ( 0.2555556 -0.0704537 -0.1216096), wk = 0.0025840 k( 316) = ( 0.2666667 -0.0735169 -0.1268970), wk = 0.0025840 k( 317) = ( 0.2777778 -0.0765801 -0.1321844), wk = 0.0025840 k( 318) = ( 0.2888889 -0.0796433 -0.1374717), wk = 0.0025840 k( 319) = ( 0.3000000 -0.0827065 -0.1427591), wk = 0.0025840 k( 320) = ( 0.3111111 -0.0857697 -0.1480465), wk = 0.0025840 k( 321) = ( 0.3222222 -0.0888329 -0.1533339), wk = 0.0025840 k( 322) = ( 0.3333333 -0.0918961 -0.1586212), wk = 0.0025840 k( 323) = ( 0.3444444 -0.0949593 -0.1639086), wk = 0.0025840 k( 324) = ( 0.3555556 -0.0980226 -0.1691960), wk = 0.0025840 k( 325) = ( 0.3666667 -0.1010858 -0.1744834), wk = 0.0025840 k( 326) = ( 0.3777778 -0.1041490 -0.1797707), wk = 0.0025840 k( 327) = ( 0.3888889 -0.1072122 -0.1850581), wk = 0.0025840 k( 328) = ( 0.4000000 -0.1102754 -0.1903455), wk = 0.0025840 k( 329) = ( 0.4111111 -0.1133386 -0.1956329), wk = 0.0025840 k( 330) = ( 0.4222222 -0.1164018 -0.2009202), wk = 0.0025840 k( 331) = ( 0.4333333 -0.1194650 -0.2062076), wk = 0.0025840 k( 332) = ( 0.4444444 -0.1225282 -0.2114950), wk = 0.0025840 k( 333) = ( 0.4555556 -0.1255914 -0.2167824), wk = 0.0025840 k( 334) = ( 0.4666667 -0.1286546 -0.2220697), wk = 0.0025840 k( 335) = ( 0.4777778 -0.1317178 -0.2273571), wk = 0.0025840 k( 336) = ( 0.4888889 -0.1347810 -0.2326445), wk = 0.0025840 k( 337) = ( 0.5000000 -0.1378442 -0.2379319), wk = 0.0025840 k( 338) = ( 0.5000000 -0.1378442 0.3586475), wk = 0.0025840 k( 339) = ( 0.4897959 -0.1350311 0.3513282), wk = 0.0025840 k( 340) = ( 0.4795918 -0.1322179 0.3440089), wk = 0.0025840 k( 341) = ( 0.4693878 -0.1294048 0.3366895), wk = 0.0025840 k( 342) = ( 0.4591837 -0.1265916 0.3293702), wk = 0.0025840 k( 343) = ( 0.4489796 -0.1237785 0.3220509), wk = 0.0025840 k( 344) = ( 0.4387755 -0.1209653 0.3147315), wk = 0.0025840 k( 345) = ( 0.4285714 -0.1181522 0.3074122), wk = 0.0025840 k( 346) = ( 0.4183674 -0.1153390 0.3000928), wk = 0.0025840 k( 347) = ( 0.4081633 -0.1125259 0.2927735), wk = 0.0025840 k( 348) = ( 0.3979592 -0.1097127 0.2854542), wk = 0.0025840 k( 349) = ( 0.3877551 -0.1068996 0.2781348), wk = 0.0025840 k( 350) = ( 0.3775510 -0.1040864 0.2708155), wk = 0.0025840 k( 351) = ( 0.3673469 -0.1012733 0.2634962), wk = 0.0025840 k( 352) = ( 0.3571429 -0.0984602 0.2561768), wk = 0.0025840 k( 353) = ( 0.3469388 -0.0956470 0.2488575), wk = 0.0025840 k( 354) = ( 0.3367347 -0.0928339 0.2415381), wk = 0.0025840 k( 355) = ( 0.3265306 -0.0900207 0.2342188), wk = 0.0025840 k( 356) = ( 0.3163265 -0.0872076 0.2268995), wk = 0.0025840 k( 357) = ( 0.3061224 -0.0843944 0.2195801), wk = 0.0025840 k( 358) = ( 0.2959184 -0.0815813 0.2122608), wk = 0.0025840 k( 359) = ( 0.2857143 -0.0787681 0.2049415), wk = 0.0025840 k( 360) = ( 0.2755102 -0.0759550 0.1976221), wk = 0.0025840 k( 361) = ( 0.2653061 -0.0731418 0.1903028), wk = 0.0025840 k( 362) = ( 0.2551020 -0.0703287 0.1829834), wk = 0.0025840 k( 363) = ( 0.2448980 -0.0675155 0.1756641), wk = 0.0025840 k( 364) = ( 0.2346939 -0.0647024 0.1683448), wk = 0.0025840 k( 365) = ( 0.2244898 -0.0618892 0.1610254), wk = 0.0025840 k( 366) = ( 0.2142857 -0.0590761 0.1537061), wk = 0.0025840 k( 367) = ( 0.2040816 -0.0562629 0.1463868), wk = 0.0025840 k( 368) = ( 0.1938776 -0.0534498 0.1390674), wk = 0.0025840 k( 369) = ( 0.1836735 -0.0506366 0.1317481), wk = 0.0025840 k( 370) = ( 0.1734694 -0.0478235 0.1244287), wk = 0.0025840 k( 371) = ( 0.1632653 -0.0450104 0.1171094), wk = 0.0025840 k( 372) = ( 0.1530612 -0.0421972 0.1097901), wk = 0.0025840 k( 373) = ( 0.1428571 -0.0393841 0.1024707), wk = 0.0025840 k( 374) = ( 0.1326531 -0.0365709 0.0951514), wk = 0.0025840 k( 375) = ( 0.1224490 -0.0337578 0.0878321), wk = 0.0025840 k( 376) = ( 0.1122449 -0.0309446 0.0805127), wk = 0.0025840 k( 377) = ( 0.1020408 -0.0281315 0.0731934), wk = 0.0025840 k( 378) = ( 0.0918367 -0.0253183 0.0658740), wk = 0.0025840 k( 379) = ( 0.0816327 -0.0225052 0.0585547), wk = 0.0025840 k( 380) = ( 0.0714286 -0.0196920 0.0512354), wk = 0.0025840 k( 381) = ( 0.0612245 -0.0168789 0.0439160), wk = 0.0025840 k( 382) = ( 0.0510204 -0.0140657 0.0365967), wk = 0.0025840 k( 383) = ( 0.0408163 -0.0112526 0.0292774), wk = 0.0025840 k( 384) = ( 0.0306122 -0.0084394 0.0219580), wk = 0.0025840 k( 385) = ( 0.0204082 -0.0056263 0.0146387), wk = 0.0025840 k( 386) = ( 0.0102041 -0.0028131 0.0073193), wk = 0.0025840 k( 387) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0025840 k( 3) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0025840 k( 4) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0025840 k( 5) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0025840 k( 6) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0025840 k( 7) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0025840 k( 8) = ( 0.0573770 0.0573771 -0.0000000), wk = 0.0025840 k( 9) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0025840 k( 10) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0025840 k( 11) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0025840 k( 12) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0025840 k( 13) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0025840 k( 14) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0025840 k( 15) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0025840 k( 16) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0025840 k( 17) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0025840 k( 18) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0025840 k( 19) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0025840 k( 20) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0025840 k( 21) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0025840 k( 22) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0025840 k( 23) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0025840 k( 24) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0025840 k( 25) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0025840 k( 26) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0025840 k( 27) = ( 0.2131147 0.2131147 0.0000000), wk = 0.0025840 k( 28) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0025840 k( 29) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0025840 k( 30) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0025840 k( 31) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0025840 k( 32) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0025840 k( 33) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0025840 k( 34) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0025840 k( 35) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0025840 k( 36) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0025840 k( 37) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0025840 k( 38) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0025840 k( 39) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0025840 k( 40) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0025840 k( 41) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0025840 k( 42) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0025840 k( 43) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0025840 k( 44) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0025840 k( 45) = ( 0.3606557 0.3606557 0.0000000), wk = 0.0025840 k( 46) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0025840 k( 47) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0025840 k( 48) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0025840 k( 49) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0025840 k( 50) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0025840 k( 51) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0025840 k( 52) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0025840 k( 53) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0025840 k( 54) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0025840 k( 55) = ( 0.4426230 0.4426230 -0.0000000), wk = 0.0025840 k( 56) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0025840 k( 57) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0025840 k( 58) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0025840 k( 59) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0025840 k( 60) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0025840 k( 61) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0025840 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025840 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025840 k( 64) = ( 0.5060593 0.5060593 0.0132643), wk = 0.0025840 k( 65) = ( 0.5121186 0.5121186 0.0265286), wk = 0.0025840 k( 66) = ( 0.5181778 0.5181778 0.0397929), wk = 0.0025840 k( 67) = ( 0.5242371 0.5242371 0.0530572), wk = 0.0025840 k( 68) = ( 0.5302964 0.5302964 0.0663215), wk = 0.0025840 k( 69) = ( 0.5363557 0.5363557 0.0795858), wk = 0.0025840 k( 70) = ( 0.5424150 0.5424150 0.0928502), wk = 0.0025840 k( 71) = ( 0.5484742 0.5484742 0.1061145), wk = 0.0025840 k( 72) = ( 0.5545335 0.5545335 0.1193788), wk = 0.0025840 k( 73) = ( 0.5605928 0.5605928 0.1326431), wk = 0.0025840 k( 74) = ( 0.5666521 0.5666521 0.1459074), wk = 0.0025840 k( 75) = ( 0.5727114 0.5727114 0.1591717), wk = 0.0025840 k( 76) = ( 0.5727114 0.5727114 0.1591717), wk = 0.0025840 k( 77) = ( 0.5707979 0.5707979 0.1681409), wk = 0.0025840 k( 78) = ( 0.5688844 0.5688845 0.1771100), wk = 0.0025840 k( 79) = ( 0.5669710 0.5669710 0.1860792), wk = 0.0025840 k( 80) = ( 0.5650575 0.5650575 0.1950483), wk = 0.0025840 k( 81) = ( 0.5631441 0.5631441 0.2040175), wk = 0.0025840 k( 82) = ( 0.5612306 0.5612306 0.2129867), wk = 0.0025840 k( 83) = ( 0.5593172 0.5593172 0.2219558), wk = 0.0025840 k( 84) = ( 0.5574037 0.5574037 0.2309250), wk = 0.0025840 k( 85) = ( 0.5554902 0.5554902 0.2398942), wk = 0.0025840 k( 86) = ( 0.5535768 0.5535768 0.2488633), wk = 0.0025840 k( 87) = ( 0.5516633 0.5516633 0.2578325), wk = 0.0025840 k( 88) = ( 0.5497499 0.5497499 0.2668017), wk = 0.0025840 k( 89) = ( 0.5478364 0.5478364 0.2757708), wk = 0.0025840 k( 90) = ( 0.5459230 0.5459230 0.2847400), wk = 0.0025840 k( 91) = ( 0.5440095 0.5440095 0.2937092), wk = 0.0025840 k( 92) = ( 0.5420961 0.5420961 0.3026783), wk = 0.0025840 k( 93) = ( 0.5401826 0.5401826 0.3116475), wk = 0.0025840 k( 94) = ( 0.5382691 0.5382691 0.3206167), wk = 0.0025840 k( 95) = ( 0.5363557 0.5363557 0.3295858), wk = 0.0025840 k( 96) = ( 0.5344422 0.5344422 0.3385550), wk = 0.0025840 k( 97) = ( 0.5325288 0.5325288 0.3475242), wk = 0.0025840 k( 98) = ( 0.5306153 0.5306153 0.3564933), wk = 0.0025840 k( 99) = ( 0.5287019 0.5287019 0.3654625), wk = 0.0025840 k( 100) = ( 0.5267884 0.5267884 0.3744317), wk = 0.0025840 k( 101) = ( 0.5248749 0.5248749 0.3834008), wk = 0.0025840 k( 102) = ( 0.5229615 0.5229615 0.3923700), wk = 0.0025840 k( 103) = ( 0.5210480 0.5210480 0.4013392), wk = 0.0025840 k( 104) = ( 0.5191346 0.5191346 0.4103083), wk = 0.0025840 k( 105) = ( 0.5172211 0.5172211 0.4192775), wk = 0.0025840 k( 106) = ( 0.5153077 0.5153077 0.4282467), wk = 0.0025840 k( 107) = ( 0.5133942 0.5133942 0.4372158), wk = 0.0025840 k( 108) = ( 0.5114807 0.5114807 0.4461850), wk = 0.0025840 k( 109) = ( 0.5095673 0.5095673 0.4551542), wk = 0.0025840 k( 110) = ( 0.5076538 0.5076538 0.4641233), wk = 0.0025840 k( 111) = ( 0.5057404 0.5057404 0.4730925), wk = 0.0025840 k( 112) = ( 0.5038269 0.5038269 0.4820617), wk = 0.0025840 k( 113) = ( 0.5019135 0.5019135 0.4910308), wk = 0.0025840 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 116) = ( 0.5076764 0.4923236 0.5000000), wk = 0.0025840 k( 117) = ( 0.5153529 0.4846471 0.5000000), wk = 0.0025840 k( 118) = ( 0.5230293 0.4769707 0.5000000), wk = 0.0025840 k( 119) = ( 0.5307057 0.4692943 0.5000000), wk = 0.0025840 k( 120) = ( 0.5383822 0.4616178 0.5000000), wk = 0.0025840 k( 121) = ( 0.5460586 0.4539414 0.5000000), wk = 0.0025840 k( 122) = ( 0.5537351 0.4462649 0.5000000), wk = 0.0025840 k( 123) = ( 0.5614115 0.4385885 0.5000000), wk = 0.0025840 k( 124) = ( 0.5690879 0.4309121 0.5000000), wk = 0.0025840 k( 125) = ( 0.5767644 0.4232356 0.5000000), wk = 0.0025840 k( 126) = ( 0.5844408 0.4155592 0.5000000), wk = 0.0025840 k( 127) = ( 0.5921172 0.4078828 0.5000000), wk = 0.0025840 k( 128) = ( 0.5997937 0.4002063 0.5000000), wk = 0.0025840 k( 129) = ( 0.6074701 0.3925299 0.5000000), wk = 0.0025840 k( 130) = ( 0.6151465 0.3848535 0.5000000), wk = 0.0025840 k( 131) = ( 0.6228230 0.3771770 0.5000000), wk = 0.0025840 k( 132) = ( 0.6304994 0.3695006 0.5000000), wk = 0.0025840 k( 133) = ( 0.6381759 0.3618241 0.5000000), wk = 0.0025840 k( 134) = ( 0.6458523 0.3541477 0.5000000), wk = 0.0025840 k( 135) = ( 0.6535287 0.3464713 0.5000000), wk = 0.0025840 k( 136) = ( 0.6612052 0.3387948 0.5000000), wk = 0.0025840 k( 137) = ( 0.6688816 0.3311184 0.5000000), wk = 0.0025840 k( 138) = ( 0.6765580 0.3234420 0.5000000), wk = 0.0025840 k( 139) = ( 0.6842345 0.3157655 0.5000000), wk = 0.0025840 k( 140) = ( 0.6919109 0.3080891 0.5000000), wk = 0.0025840 k( 141) = ( 0.6995874 0.3004127 0.5000000), wk = 0.0025840 k( 142) = ( 0.7072638 0.2927362 0.5000000), wk = 0.0025840 k( 143) = ( 0.7149402 0.2850598 0.5000000), wk = 0.0025840 k( 144) = ( 0.7226167 0.2773833 0.5000000), wk = 0.0025840 k( 145) = ( 0.7302931 0.2697069 0.5000000), wk = 0.0025840 k( 146) = ( 0.2697069 -0.2697069 0.5000000), wk = 0.0025840 k( 147) = ( 0.2620010 -0.2620010 0.5000000), wk = 0.0025840 k( 148) = ( 0.2542951 -0.2542951 0.5000000), wk = 0.0025840 k( 149) = ( 0.2465892 -0.2465892 0.5000000), wk = 0.0025840 k( 150) = ( 0.2388832 -0.2388833 0.5000000), wk = 0.0025840 k( 151) = ( 0.2311773 -0.2311773 0.5000000), wk = 0.0025840 k( 152) = ( 0.2234714 -0.2234714 0.5000000), wk = 0.0025840 k( 153) = ( 0.2157655 -0.2157655 0.5000000), wk = 0.0025840 k( 154) = ( 0.2080596 -0.2080596 0.5000000), wk = 0.0025840 k( 155) = ( 0.2003537 -0.2003537 0.5000000), wk = 0.0025840 k( 156) = ( 0.1926478 -0.1926478 0.5000000), wk = 0.0025840 k( 157) = ( 0.1849419 -0.1849419 0.5000000), wk = 0.0025840 k( 158) = ( 0.1772360 -0.1772360 0.5000000), wk = 0.0025840 k( 159) = ( 0.1695300 -0.1695301 0.5000000), wk = 0.0025840 k( 160) = ( 0.1618241 -0.1618241 0.5000000), wk = 0.0025840 k( 161) = ( 0.1541182 -0.1541182 0.5000000), wk = 0.0025840 k( 162) = ( 0.1464123 -0.1464123 0.5000000), wk = 0.0025840 k( 163) = ( 0.1387064 -0.1387064 0.5000000), wk = 0.0025840 k( 164) = ( 0.1310005 -0.1310005 0.5000000), wk = 0.0025840 k( 165) = ( 0.1232946 -0.1232946 0.5000000), wk = 0.0025840 k( 166) = ( 0.1155887 -0.1155887 0.5000000), wk = 0.0025840 k( 167) = ( 0.1078828 -0.1078828 0.5000000), wk = 0.0025840 k( 168) = ( 0.1001768 -0.1001768 0.5000000), wk = 0.0025840 k( 169) = ( 0.0924709 -0.0924709 0.5000000), wk = 0.0025840 k( 170) = ( 0.0847650 -0.0847650 0.5000000), wk = 0.0025840 k( 171) = ( 0.0770591 -0.0770591 0.5000000), wk = 0.0025840 k( 172) = ( 0.0693532 -0.0693532 0.5000000), wk = 0.0025840 k( 173) = ( 0.0616473 -0.0616473 0.5000000), wk = 0.0025840 k( 174) = ( 0.0539414 -0.0539414 0.5000000), wk = 0.0025840 k( 175) = ( 0.0462355 -0.0462355 0.5000000), wk = 0.0025840 k( 176) = ( 0.0385296 -0.0385296 0.5000000), wk = 0.0025840 k( 177) = ( 0.0308237 -0.0308237 0.5000000), wk = 0.0025840 k( 178) = ( 0.0231177 -0.0231177 0.5000000), wk = 0.0025840 k( 179) = ( 0.0154118 -0.0154118 0.5000000), wk = 0.0025840 k( 180) = ( 0.0077059 -0.0077059 0.5000000), wk = 0.0025840 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 183) = ( 0.0101735 0.0101735 0.5081150), wk = 0.0025840 k( 184) = ( 0.0203471 0.0203471 0.5162299), wk = 0.0025840 k( 185) = ( 0.0305206 0.0305206 0.5243449), wk = 0.0025840 k( 186) = ( 0.0406942 0.0406942 0.5324598), wk = 0.0025840 k( 187) = ( 0.0508677 0.0508677 0.5405748), wk = 0.0025840 k( 188) = ( 0.0610412 0.0610412 0.5486898), wk = 0.0025840 k( 189) = ( 0.0712148 0.0712148 0.5568047), wk = 0.0025840 k( 190) = ( 0.0813883 0.0813883 0.5649197), wk = 0.0025840 k( 191) = ( 0.0915619 0.0915619 0.5730346), wk = 0.0025840 k( 192) = ( 0.1017354 0.1017354 0.5811496), wk = 0.0025840 k( 193) = ( 0.1119089 0.1119089 0.5892646), wk = 0.0025840 k( 194) = ( 0.1220825 0.1220825 0.5973795), wk = 0.0025840 k( 195) = ( 0.1322560 0.1322560 0.6054945), wk = 0.0025840 k( 196) = ( 0.1424295 0.1424295 0.6136094), wk = 0.0025840 k( 197) = ( 0.1526031 0.1526031 0.6217244), wk = 0.0025840 k( 198) = ( 0.1627766 0.1627766 0.6298394), wk = 0.0025840 k( 199) = ( 0.1729502 0.1729502 0.6379543), wk = 0.0025840 k( 200) = ( 0.1831237 0.1831237 0.6460693), wk = 0.0025840 k( 201) = ( 0.1932972 0.1932972 0.6541842), wk = 0.0025840 k( 202) = ( 0.2034708 0.2034708 0.6622992), wk = 0.0025840 k( 203) = ( 0.2136443 0.2136443 0.6704142), wk = 0.0025840 k( 204) = ( 0.2238179 0.2238179 0.6785291), wk = 0.0025840 k( 205) = ( 0.2339914 0.2339914 0.6866441), wk = 0.0025840 k( 206) = ( 0.2441649 0.2441649 0.6947590), wk = 0.0025840 k( 207) = ( 0.2543385 0.2543385 0.7028740), wk = 0.0025840 k( 208) = ( 0.2645120 0.2645120 0.7109890), wk = 0.0025840 k( 209) = ( 0.2746856 0.2746856 0.7191039), wk = 0.0025840 k( 210) = ( 0.2848591 0.2848591 0.7272189), wk = 0.0025840 k( 211) = ( 0.2950326 0.2950326 0.7353338), wk = 0.0025840 k( 212) = ( 0.3052062 0.3052062 0.7434488), wk = 0.0025840 k( 213) = ( 0.3153797 0.3153797 0.7515638), wk = 0.0025840 k( 214) = ( 0.3255533 0.3255533 0.7596787), wk = 0.0025840 k( 215) = ( 0.3357268 0.3357268 0.7677937), wk = 0.0025840 k( 216) = ( 0.3459003 0.3459003 0.7759086), wk = 0.0025840 k( 217) = ( 0.3560739 0.3560739 0.7840236), wk = 0.0025840 k( 218) = ( 0.3662474 0.3662474 0.7921386), wk = 0.0025840 k( 219) = ( 0.3764209 0.3764209 0.8002535), wk = 0.0025840 k( 220) = ( 0.3865945 0.3865945 0.8083685), wk = 0.0025840 k( 221) = ( 0.3967680 0.3967680 0.8164834), wk = 0.0025840 k( 222) = ( 0.4069416 0.4069416 0.8245984), wk = 0.0025840 k( 223) = ( 0.4171151 0.4171151 0.8327134), wk = 0.0025840 k( 224) = ( 0.4272886 0.4272886 0.8408283), wk = 0.0025840 k( 225) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025840 k( 226) = ( 0.5072844 0.4927156 -0.0000000), wk = 0.0025840 k( 227) = ( 0.5145688 0.4854312 -0.0000000), wk = 0.0025840 k( 228) = ( 0.5218532 0.4781468 0.0000000), wk = 0.0025840 k( 229) = ( 0.4781468 -0.4781468 -0.0000000), wk = 0.0025840 k( 230) = ( 0.4704348 -0.4704348 0.0000000), wk = 0.0025840 k( 231) = ( 0.4627227 -0.4627227 -0.0000000), wk = 0.0025840 k( 232) = ( 0.4550107 -0.4550107 -0.0000000), wk = 0.0025840 k( 233) = ( 0.4472987 -0.4472987 -0.0000000), wk = 0.0025840 k( 234) = ( 0.4395866 -0.4395866 -0.0000000), wk = 0.0025840 k( 235) = ( 0.4318746 -0.4318746 -0.0000000), wk = 0.0025840 k( 236) = ( 0.4241625 -0.4241625 -0.0000000), wk = 0.0025840 k( 237) = ( 0.4164505 -0.4164505 -0.0000000), wk = 0.0025840 k( 238) = ( 0.4087384 -0.4087384 -0.0000000), wk = 0.0025840 k( 239) = ( 0.4010264 -0.4010264 -0.0000000), wk = 0.0025840 k( 240) = ( 0.3933143 -0.3933143 -0.0000000), wk = 0.0025840 k( 241) = ( 0.3856023 -0.3856023 -0.0000000), wk = 0.0025840 k( 242) = ( 0.3778902 -0.3778902 -0.0000000), wk = 0.0025840 k( 243) = ( 0.3701782 -0.3701782 -0.0000000), wk = 0.0025840 k( 244) = ( 0.3624661 -0.3624661 -0.0000000), wk = 0.0025840 k( 245) = ( 0.3547541 -0.3547541 -0.0000000), wk = 0.0025840 k( 246) = ( 0.3470420 -0.3470421 -0.0000000), wk = 0.0025840 k( 247) = ( 0.3393300 -0.3393300 -0.0000000), wk = 0.0025840 k( 248) = ( 0.3316180 -0.3316180 -0.0000000), wk = 0.0025840 k( 249) = ( 0.3239059 -0.3239059 -0.0000000), wk = 0.0025840 k( 250) = ( 0.3161939 -0.3161939 -0.0000000), wk = 0.0025840 k( 251) = ( 0.3084818 -0.3084818 -0.0000000), wk = 0.0025840 k( 252) = ( 0.3007698 -0.3007698 -0.0000000), wk = 0.0025840 k( 253) = ( 0.2930577 -0.2930577 -0.0000000), wk = 0.0025840 k( 254) = ( 0.2853457 -0.2853457 -0.0000000), wk = 0.0025840 k( 255) = ( 0.2776336 -0.2776336 -0.0000000), wk = 0.0025840 k( 256) = ( 0.2699216 -0.2699216 -0.0000000), wk = 0.0025840 k( 257) = ( 0.2622096 -0.2622096 -0.0000000), wk = 0.0025840 k( 258) = ( 0.2544975 -0.2544975 -0.0000000), wk = 0.0025840 k( 259) = ( 0.2467855 -0.2467855 -0.0000000), wk = 0.0025840 k( 260) = ( 0.2390734 -0.2390734 -0.0000000), wk = 0.0025840 k( 261) = ( 0.2313614 -0.2313614 -0.0000000), wk = 0.0025840 k( 262) = ( 0.2236493 -0.2236493 -0.0000000), wk = 0.0025840 k( 263) = ( 0.2159373 -0.2159373 -0.0000000), wk = 0.0025840 k( 264) = ( 0.2082252 -0.2082252 -0.0000000), wk = 0.0025840 k( 265) = ( 0.2005132 -0.2005132 -0.0000000), wk = 0.0025840 k( 266) = ( 0.1928011 -0.1928011 -0.0000000), wk = 0.0025840 k( 267) = ( 0.1850891 -0.1850891 -0.0000000), wk = 0.0025840 k( 268) = ( 0.1773771 -0.1773771 -0.0000000), wk = 0.0025840 k( 269) = ( 0.1696650 -0.1696650 -0.0000000), wk = 0.0025840 k( 270) = ( 0.1619530 -0.1619530 -0.0000000), wk = 0.0025840 k( 271) = ( 0.1542409 -0.1542409 -0.0000000), wk = 0.0025840 k( 272) = ( 0.1465289 -0.1465289 -0.0000000), wk = 0.0025840 k( 273) = ( 0.1388168 -0.1388168 -0.0000000), wk = 0.0025840 k( 274) = ( 0.1311048 -0.1311048 -0.0000000), wk = 0.0025840 k( 275) = ( 0.1233927 -0.1233927 -0.0000000), wk = 0.0025840 k( 276) = ( 0.1156807 -0.1156807 -0.0000000), wk = 0.0025840 k( 277) = ( 0.1079686 -0.1079686 -0.0000000), wk = 0.0025840 k( 278) = ( 0.1002566 -0.1002566 -0.0000000), wk = 0.0025840 k( 279) = ( 0.0925446 -0.0925446 -0.0000000), wk = 0.0025840 k( 280) = ( 0.0848325 -0.0848325 -0.0000000), wk = 0.0025840 k( 281) = ( 0.0771205 -0.0771205 -0.0000000), wk = 0.0025840 k( 282) = ( 0.0694084 -0.0694084 -0.0000000), wk = 0.0025840 k( 283) = ( 0.0616964 -0.0616964 -0.0000000), wk = 0.0025840 k( 284) = ( 0.0539843 -0.0539843 -0.0000000), wk = 0.0025840 k( 285) = ( 0.0462723 -0.0462723 -0.0000000), wk = 0.0025840 k( 286) = ( 0.0385602 -0.0385602 -0.0000000), wk = 0.0025840 k( 287) = ( 0.0308482 -0.0308482 -0.0000000), wk = 0.0025840 k( 288) = ( 0.0231361 -0.0231361 -0.0000000), wk = 0.0025840 k( 289) = ( 0.0154241 -0.0154241 -0.0000000), wk = 0.0025840 k( 290) = ( 0.0077120 -0.0077120 -0.0000000), wk = 0.0025840 k( 291) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 292) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 293) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0025840 k( 294) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0025840 k( 295) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0025840 k( 296) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0025840 k( 297) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0025840 k( 298) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0025840 k( 299) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0025840 k( 300) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0025840 k( 301) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0025840 k( 302) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0025840 k( 303) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0025840 k( 304) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0025840 k( 305) = ( 0.1444444 0.0000000 -0.0000000), wk = 0.0025840 k( 306) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0025840 k( 307) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0025840 k( 308) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0025840 k( 309) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0025840 k( 310) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0025840 k( 311) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0025840 k( 312) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0025840 k( 313) = ( 0.2333333 0.0000000 -0.0000000), wk = 0.0025840 k( 314) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0025840 k( 315) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0025840 k( 316) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0025840 k( 317) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0025840 k( 318) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0025840 k( 319) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0025840 k( 320) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0025840 k( 321) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0025840 k( 322) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0025840 k( 323) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0025840 k( 324) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0025840 k( 325) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0025840 k( 326) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0025840 k( 327) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0025840 k( 328) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0025840 k( 329) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0025840 k( 330) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0025840 k( 331) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0025840 k( 332) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0025840 k( 333) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0025840 k( 334) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0025840 k( 335) = ( 0.4777778 0.0000000 -0.0000000), wk = 0.0025840 k( 336) = ( 0.4888889 0.0000000 -0.0000000), wk = 0.0025840 k( 337) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025840 k( 338) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025840 k( 339) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0025840 k( 340) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0025840 k( 341) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0025840 k( 342) = ( 0.4591837 -0.0000000 0.4591837), wk = 0.0025840 k( 343) = ( 0.4489796 0.0000000 0.4489796), wk = 0.0025840 k( 344) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0025840 k( 345) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0025840 k( 346) = ( 0.4183674 0.0000000 0.4183674), wk = 0.0025840 k( 347) = ( 0.4081633 0.0000000 0.4081633), wk = 0.0025840 k( 348) = ( 0.3979592 0.0000000 0.3979592), wk = 0.0025840 k( 349) = ( 0.3877551 0.0000000 0.3877551), wk = 0.0025840 k( 350) = ( 0.3775510 -0.0000000 0.3775510), wk = 0.0025840 k( 351) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0025840 k( 352) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0025840 k( 353) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0025840 k( 354) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0025840 k( 355) = ( 0.3265306 0.0000000 0.3265306), wk = 0.0025840 k( 356) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0025840 k( 357) = ( 0.3061224 -0.0000000 0.3061224), wk = 0.0025840 k( 358) = ( 0.2959184 0.0000000 0.2959184), wk = 0.0025840 k( 359) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0025840 k( 360) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0025840 k( 361) = ( 0.2653061 0.0000000 0.2653061), wk = 0.0025840 k( 362) = ( 0.2551020 0.0000000 0.2551020), wk = 0.0025840 k( 363) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0025840 k( 364) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0025840 k( 365) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0025840 k( 366) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0025840 k( 367) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0025840 k( 368) = ( 0.1938776 0.0000000 0.1938776), wk = 0.0025840 k( 369) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0025840 k( 370) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0025840 k( 371) = ( 0.1632653 0.0000000 0.1632653), wk = 0.0025840 k( 372) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0025840 k( 373) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0025840 k( 374) = ( 0.1326531 0.0000000 0.1326531), wk = 0.0025840 k( 375) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0025840 k( 376) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0025840 k( 377) = ( 0.1020408 0.0000000 0.1020408), wk = 0.0025840 k( 378) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0025840 k( 379) = ( 0.0816327 -0.0000000 0.0816326), wk = 0.0025840 k( 380) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0025840 k( 381) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0025840 k( 382) = ( 0.0510204 0.0000000 0.0510204), wk = 0.0025840 k( 383) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0025840 k( 384) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0025840 k( 385) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0025840 k( 386) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0025840 k( 387) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 Dense grid: 24385 G-vectors FFT dimensions: ( 40, 40, 45) Smooth grid: 16385 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 62, 22) NL pseudopotentials 0.02 Mb ( 31, 34) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 340) G-vector shells 0.00 Mb ( 340) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 62, 88) Each subspace H/S matrix 0.00 Mb ( 14, 14) Each matrix 0.02 Mb ( 34, 2, 22) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Sn.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.3 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.8 secs Computing kpt #: 14 total cpu time spent up to now is 5.0 secs Computing kpt #: 15 total cpu time spent up to now is 5.2 secs Computing kpt #: 16 total cpu time spent up to now is 5.4 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 6.0 secs Computing kpt #: 19 total cpu time spent up to now is 6.2 secs Computing kpt #: 20 total cpu time spent up to now is 6.4 secs Computing kpt #: 21 total cpu time spent up to now is 6.7 secs Computing kpt #: 22 total cpu time spent up to now is 6.9 secs Computing kpt #: 23 total cpu time spent up to now is 7.2 secs Computing kpt #: 24 total cpu time spent up to now is 7.4 secs Computing kpt #: 25 total cpu time spent up to now is 7.7 secs Computing kpt #: 26 total cpu time spent up to now is 7.9 secs Computing kpt #: 27 total cpu time spent up to now is 8.1 secs Computing kpt #: 28 total cpu time spent up to now is 8.3 secs Computing kpt #: 29 total cpu time spent up to now is 8.6 secs Computing kpt #: 30 total cpu time spent up to now is 8.8 secs Computing kpt #: 31 total cpu time spent up to now is 9.0 secs Computing kpt #: 32 total cpu time spent up to now is 9.6 secs Computing kpt #: 33 total cpu time spent up to now is 9.8 secs Computing kpt #: 34 total cpu time spent up to now is 10.0 secs Computing kpt #: 35 total cpu time spent up to now is 10.2 secs Computing kpt #: 36 total cpu time spent up to now is 10.4 secs Computing kpt #: 37 total cpu time spent up to now is 10.6 secs Computing kpt #: 38 total cpu time spent up to now is 10.8 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.1 secs Computing kpt #: 41 total cpu time spent up to now is 11.3 secs Computing kpt #: 42 total cpu time spent up to now is 11.4 secs Computing kpt #: 43 total cpu time spent up to now is 11.6 secs Computing kpt #: 44 total cpu time spent up to now is 11.8 secs Computing kpt #: 45 total cpu time spent up to now is 11.9 secs Computing kpt #: 46 total cpu time spent up to now is 12.1 secs Computing kpt #: 47 total cpu time spent up to now is 12.3 secs Computing kpt #: 48 total cpu time spent up to now is 12.4 secs Computing kpt #: 49 total cpu time spent up to now is 12.6 secs Computing kpt #: 50 total cpu time spent up to now is 12.8 secs Computing kpt #: 51 total cpu time spent up to now is 12.9 secs Computing kpt #: 52 total cpu time spent up to now is 13.1 secs Computing kpt #: 53 total cpu time spent up to now is 13.2 secs Computing kpt #: 54 total cpu time spent up to now is 13.4 secs Computing kpt #: 55 total cpu time spent up to now is 13.6 secs Computing kpt #: 56 total cpu time spent up to now is 13.7 secs Computing kpt #: 57 total cpu time spent up to now is 13.9 secs Computing kpt #: 58 total cpu time spent up to now is 14.0 secs Computing kpt #: 59 total cpu time spent up to now is 14.2 secs Computing kpt #: 60 total cpu time spent up to now is 14.3 secs Computing kpt #: 61 total cpu time spent up to now is 14.5 secs Computing kpt #: 62 total cpu time spent up to now is 14.6 secs Computing kpt #: 63 total cpu time spent up to now is 14.8 secs Computing kpt #: 64 total cpu time spent up to now is 14.9 secs Computing kpt #: 65 total cpu time spent up to now is 15.0 secs Computing kpt #: 66 total cpu time spent up to now is 15.2 secs Computing kpt #: 67 total cpu time spent up to now is 15.4 secs Computing kpt #: 68 total cpu time spent up to now is 15.5 secs Computing kpt #: 69 total cpu time spent up to now is 15.7 secs Computing kpt #: 70 total cpu time spent up to now is 15.8 secs Computing kpt #: 71 total cpu time spent up to now is 16.0 secs Computing kpt #: 72 total cpu time spent up to now is 16.1 secs Computing kpt #: 73 total cpu time spent up to now is 16.3 secs Computing kpt #: 74 total cpu time spent up to now is 16.4 secs Computing kpt #: 75 total cpu time spent up to now is 16.6 secs Computing kpt #: 76 total cpu time spent up to now is 16.7 secs Computing kpt #: 77 total cpu time spent up to now is 16.9 secs Computing kpt #: 78 total cpu time spent up to now is 17.2 secs Computing kpt #: 79 total cpu time spent up to now is 17.4 secs Computing kpt #: 80 total cpu time spent up to now is 17.5 secs Computing kpt #: 81 total cpu time spent up to now is 17.7 secs Computing kpt #: 82 total cpu time spent up to now is 17.9 secs Computing kpt #: 83 total cpu time spent up to now is 18.1 secs Computing kpt #: 84 total cpu time spent up to now is 18.3 secs Computing kpt #: 85 total cpu time spent up to now is 18.4 secs Computing kpt #: 86 total cpu time spent up to now is 18.6 secs Computing kpt #: 87 total cpu time spent up to now is 18.8 secs Computing kpt #: 88 total cpu time spent up to now is 19.0 secs Computing kpt #: 89 total cpu time spent up to now is 19.2 secs Computing kpt #: 90 total cpu time spent up to now is 19.8 secs Computing kpt #: 91 total cpu time spent up to now is 20.0 secs Computing kpt #: 92 total cpu time spent up to now is 20.2 secs Computing kpt #: 93 total cpu time spent up to now is 20.4 secs Computing kpt #: 94 total cpu time spent up to now is 20.7 secs Computing kpt #: 95 total cpu time spent up to now is 21.2 secs Computing kpt #: 96 total cpu time spent up to now is 21.4 secs Computing kpt #: 97 total cpu time spent up to now is 21.6 secs Computing kpt #: 98 total cpu time spent up to now is 21.8 secs Computing kpt #: 99 total cpu time spent up to now is 22.0 secs Computing kpt #: 100 total cpu time spent up to now is 22.2 secs Computing kpt #: 101 total cpu time spent up to now is 22.4 secs Computing kpt #: 102 total cpu time spent up to now is 22.6 secs Computing kpt #: 103 total cpu time spent up to now is 22.8 secs Computing kpt #: 104 total cpu time spent up to now is 23.1 secs Computing kpt #: 105 total cpu time spent up to now is 23.3 secs Computing kpt #: 106 total cpu time spent up to now is 23.5 secs Computing kpt #: 107 total cpu time spent up to now is 23.7 secs Computing kpt #: 108 total cpu time spent up to now is 24.0 secs Computing kpt #: 109 total cpu time spent up to now is 24.1 secs Computing kpt #: 110 total cpu time spent up to now is 24.4 secs Computing kpt #: 111 total cpu time spent up to now is 24.5 secs Computing kpt #: 112 total cpu time spent up to now is 24.7 secs Computing kpt #: 113 total cpu time spent up to now is 24.9 secs Computing kpt #: 114 total cpu time spent up to now is 25.1 secs Computing kpt #: 115 total cpu time spent up to now is 25.2 secs Computing kpt #: 116 total cpu time spent up to now is 25.4 secs Computing kpt #: 117 total cpu time spent up to now is 25.6 secs Computing kpt #: 118 total cpu time spent up to now is 25.8 secs Computing kpt #: 119 total cpu time spent up to now is 26.0 secs Computing kpt #: 120 total cpu time spent up to now is 26.1 secs Computing kpt #: 121 total cpu time spent up to now is 26.3 secs Computing kpt #: 122 total cpu time spent up to now is 26.5 secs Computing kpt #: 123 total cpu time spent up to now is 26.8 secs Computing kpt #: 124 total cpu time spent up to now is 26.9 secs Computing kpt #: 125 total cpu time spent up to now is 27.1 secs Computing kpt #: 126 total cpu time spent up to now is 27.3 secs Computing kpt #: 127 total cpu time spent up to now is 27.5 secs Computing kpt #: 128 total cpu time spent up to now is 27.7 secs Computing kpt #: 129 total cpu time spent up to now is 27.8 secs Computing kpt #: 130 total cpu time spent up to now is 28.0 secs Computing kpt #: 131 total cpu time spent up to now is 28.2 secs Computing kpt #: 132 total cpu time spent up to now is 28.4 secs Computing kpt #: 133 total cpu time spent up to now is 28.6 secs Computing kpt #: 134 total cpu time spent up to now is 28.7 secs Computing kpt #: 135 total cpu time spent up to now is 28.9 secs Computing kpt #: 136 total cpu time spent up to now is 29.1 secs Computing kpt #: 137 total cpu time spent up to now is 29.3 secs Computing kpt #: 138 total cpu time spent up to now is 29.5 secs Computing kpt #: 139 total cpu time spent up to now is 29.7 secs Computing kpt #: 140 total cpu time spent up to now is 29.9 secs Computing kpt #: 141 total cpu time spent up to now is 30.1 secs Computing kpt #: 142 total cpu time spent up to now is 30.3 secs Computing kpt #: 143 total cpu time spent up to now is 30.5 secs Computing kpt #: 144 total cpu time spent up to now is 30.7 secs Computing kpt #: 145 total cpu time spent up to now is 30.8 secs Computing kpt #: 146 total cpu time spent up to now is 31.0 secs Computing kpt #: 147 total cpu time spent up to now is 31.2 secs Computing kpt #: 148 total cpu time spent up to now is 31.5 secs Computing kpt #: 149 total cpu time spent up to now is 31.7 secs Computing kpt #: 150 total cpu time spent up to now is 31.9 secs Computing kpt #: 151 total cpu time spent up to now is 32.1 secs Computing kpt #: 152 total cpu time spent up to now is 32.3 secs Computing kpt #: 153 total cpu time spent up to now is 32.5 secs Computing kpt #: 154 total cpu time spent up to now is 32.7 secs Computing kpt #: 155 total cpu time spent up to now is 32.9 secs Computing kpt #: 156 total cpu time spent up to now is 33.1 secs Computing kpt #: 157 total cpu time spent up to now is 33.3 secs Computing kpt #: 158 total cpu time spent up to now is 33.5 secs Computing kpt #: 159 total cpu time spent up to now is 33.7 secs Computing kpt #: 160 total cpu time spent up to now is 33.9 secs Computing kpt #: 161 total cpu time spent up to now is 34.1 secs Computing kpt #: 162 total cpu time spent up to now is 34.3 secs Computing kpt #: 163 total cpu time spent up to now is 34.6 secs Computing kpt #: 164 total cpu time spent up to now is 34.8 secs Computing kpt #: 165 total cpu time spent up to now is 35.0 secs Computing kpt #: 166 total cpu time spent up to now is 35.1 secs Computing kpt #: 167 total cpu time spent up to now is 35.3 secs Computing kpt #: 168 total cpu time spent up to now is 35.5 secs Computing kpt #: 169 total cpu time spent up to now is 35.7 secs Computing kpt #: 170 total cpu time spent up to now is 36.7 secs Computing kpt #: 171 total cpu time spent up to now is 36.9 secs Computing kpt #: 172 total cpu time spent up to now is 37.1 secs Computing kpt #: 173 total cpu time spent up to now is 37.3 secs Computing kpt #: 174 total cpu time spent up to now is 37.5 secs Computing kpt #: 175 total cpu time spent up to now is 37.7 secs Computing kpt #: 176 total cpu time spent up to now is 37.9 secs Computing kpt #: 177 total cpu time spent up to now is 38.0 secs Computing kpt #: 178 total cpu time spent up to now is 38.2 secs Computing kpt #: 179 total cpu time spent up to now is 38.4 secs Computing kpt #: 180 total cpu time spent up to now is 38.5 secs Computing kpt #: 181 total cpu time spent up to now is 38.7 secs Computing kpt #: 182 total cpu time spent up to now is 38.9 secs Computing kpt #: 183 total cpu time spent up to now is 39.1 secs Computing kpt #: 184 total cpu time spent up to now is 39.3 secs Computing kpt #: 185 total cpu time spent up to now is 39.5 secs Computing kpt #: 186 total cpu time spent up to now is 39.7 secs Computing kpt #: 187 total cpu time spent up to now is 39.9 secs Computing kpt #: 188 total cpu time spent up to now is 40.1 secs Computing kpt #: 189 total cpu time spent up to now is 40.3 secs Computing kpt #: 190 total cpu time spent up to now is 40.5 secs Computing kpt #: 191 total cpu time spent up to now is 40.8 secs Computing kpt #: 192 total cpu time spent up to now is 41.0 secs Computing kpt #: 193 total cpu time spent up to now is 41.2 secs Computing kpt #: 194 total cpu time spent up to now is 41.4 secs Computing kpt #: 195 total cpu time spent up to now is 41.6 secs Computing kpt #: 196 total cpu time spent up to now is 41.8 secs Computing kpt #: 197 total cpu time spent up to now is 42.0 secs Computing kpt #: 198 total cpu time spent up to now is 42.2 secs Computing kpt #: 199 total cpu time spent up to now is 42.5 secs Computing kpt #: 200 total cpu time spent up to now is 42.7 secs Computing kpt #: 201 total cpu time spent up to now is 43.0 secs Computing kpt #: 202 total cpu time spent up to now is 43.2 secs Computing kpt #: 203 total cpu time spent up to now is 43.4 secs Computing kpt #: 204 total cpu time spent up to now is 43.6 secs Computing kpt #: 205 total cpu time spent up to now is 43.9 secs Computing kpt #: 206 total cpu time spent up to now is 44.1 secs Computing kpt #: 207 total cpu time spent up to now is 44.3 secs Computing kpt #: 208 total cpu time spent up to now is 44.6 secs Computing kpt #: 209 total cpu time spent up to now is 44.8 secs Computing kpt #: 210 total cpu time spent up to now is 45.0 secs Computing kpt #: 211 total cpu time spent up to now is 45.2 secs Computing kpt #: 212 total cpu time spent up to now is 45.4 secs Computing kpt #: 213 total cpu time spent up to now is 45.6 secs Computing kpt #: 214 total cpu time spent up to now is 45.8 secs Computing kpt #: 215 total cpu time spent up to now is 45.9 secs Computing kpt #: 216 total cpu time spent up to now is 46.1 secs Computing kpt #: 217 total cpu time spent up to now is 46.3 secs Computing kpt #: 218 total cpu time spent up to now is 46.4 secs Computing kpt #: 219 total cpu time spent up to now is 46.6 secs Computing kpt #: 220 total cpu time spent up to now is 46.8 secs Computing kpt #: 221 total cpu time spent up to now is 47.0 secs Computing kpt #: 222 total cpu time spent up to now is 47.1 secs Computing kpt #: 223 total cpu time spent up to now is 47.3 secs Computing kpt #: 224 total cpu time spent up to now is 47.5 secs Computing kpt #: 225 total cpu time spent up to now is 47.6 secs Computing kpt #: 226 total cpu time spent up to now is 47.8 secs Computing kpt #: 227 total cpu time spent up to now is 48.0 secs Computing kpt #: 228 total cpu time spent up to now is 48.2 secs Computing kpt #: 229 total cpu time spent up to now is 48.3 secs Computing kpt #: 230 total cpu time spent up to now is 48.5 secs Computing kpt #: 231 total cpu time spent up to now is 48.6 secs Computing kpt #: 232 total cpu time spent up to now is 48.8 secs Computing kpt #: 233 total cpu time spent up to now is 48.9 secs Computing kpt #: 234 total cpu time spent up to now is 49.1 secs Computing kpt #: 235 total cpu time spent up to now is 49.3 secs Computing kpt #: 236 total cpu time spent up to now is 49.4 secs Computing kpt #: 237 total cpu time spent up to now is 49.7 secs Computing kpt #: 238 total cpu time spent up to now is 49.9 secs Computing kpt #: 239 total cpu time spent up to now is 50.0 secs Computing kpt #: 240 total cpu time spent up to now is 50.2 secs Computing kpt #: 241 total cpu time spent up to now is 50.4 secs Computing kpt #: 242 total cpu time spent up to now is 50.6 secs Computing kpt #: 243 total cpu time spent up to now is 50.8 secs Computing kpt #: 244 total cpu time spent up to now is 50.9 secs Computing kpt #: 245 total cpu time spent up to now is 51.3 secs Computing kpt #: 246 total cpu time spent up to now is 51.5 secs Computing kpt #: 247 total cpu time spent up to now is 51.7 secs Computing kpt #: 248 total cpu time spent up to now is 51.9 secs Computing kpt #: 249 total cpu time spent up to now is 52.1 secs Computing kpt #: 250 total cpu time spent up to now is 52.2 secs Computing kpt #: 251 total cpu time spent up to now is 52.4 secs Computing kpt #: 252 total cpu time spent up to now is 52.7 secs Computing kpt #: 253 total cpu time spent up to now is 52.9 secs Computing kpt #: 254 total cpu time spent up to now is 53.1 secs Computing kpt #: 255 total cpu time spent up to now is 53.4 secs Computing kpt #: 256 total cpu time spent up to now is 53.6 secs Computing kpt #: 257 total cpu time spent up to now is 53.8 secs Computing kpt #: 258 total cpu time spent up to now is 54.1 secs Computing kpt #: 259 total cpu time spent up to now is 54.3 secs Computing kpt #: 260 total cpu time spent up to now is 54.6 secs Computing kpt #: 261 total cpu time spent up to now is 54.8 secs Computing kpt #: 262 total cpu time spent up to now is 55.0 secs Computing kpt #: 263 total cpu time spent up to now is 55.2 secs Computing kpt #: 264 total cpu time spent up to now is 55.5 secs Computing kpt #: 265 total cpu time spent up to now is 55.8 secs Computing kpt #: 266 total cpu time spent up to now is 56.0 secs Computing kpt #: 267 total cpu time spent up to now is 56.3 secs Computing kpt #: 268 total cpu time spent up to now is 56.5 secs Computing kpt #: 269 total cpu time spent up to now is 56.8 secs Computing kpt #: 270 total cpu time spent up to now is 57.1 secs Computing kpt #: 271 total cpu time spent up to now is 57.3 secs Computing kpt #: 272 total cpu time spent up to now is 57.5 secs Computing kpt #: 273 total cpu time spent up to now is 57.8 secs Computing kpt #: 274 total cpu time spent up to now is 58.0 secs Computing kpt #: 275 total cpu time spent up to now is 58.2 secs Computing kpt #: 276 total cpu time spent up to now is 58.4 secs Computing kpt #: 277 total cpu time spent up to now is 58.7 secs Computing kpt #: 278 total cpu time spent up to now is 59.0 secs Computing kpt #: 279 total cpu time spent up to now is 59.2 secs Computing kpt #: 280 total cpu time spent up to now is 59.4 secs Computing kpt #: 281 total cpu time spent up to now is 59.7 secs Computing kpt #: 282 total cpu time spent up to now is 59.9 secs Computing kpt #: 283 total cpu time spent up to now is 60.1 secs Computing kpt #: 284 total cpu time spent up to now is 60.3 secs Computing kpt #: 285 total cpu time spent up to now is 60.5 secs Computing kpt #: 286 total cpu time spent up to now is 60.8 secs Computing kpt #: 287 total cpu time spent up to now is 61.0 secs Computing kpt #: 288 total cpu time spent up to now is 61.2 secs Computing kpt #: 289 total cpu time spent up to now is 61.4 secs Computing kpt #: 290 total cpu time spent up to now is 61.6 secs Computing kpt #: 291 total cpu time spent up to now is 61.9 secs Computing kpt #: 292 total cpu time spent up to now is 62.1 secs Computing kpt #: 293 total cpu time spent up to now is 62.3 secs Computing kpt #: 294 total cpu time spent up to now is 62.5 secs Computing kpt #: 295 total cpu time spent up to now is 62.7 secs Computing kpt #: 296 total cpu time spent up to now is 62.9 secs Computing kpt #: 297 total cpu time spent up to now is 63.2 secs Computing kpt #: 298 total cpu time spent up to now is 63.4 secs Computing kpt #: 299 total cpu time spent up to now is 63.6 secs Computing kpt #: 300 total cpu time spent up to now is 63.9 secs Computing kpt #: 301 total cpu time spent up to now is 64.1 secs Computing kpt #: 302 total cpu time spent up to now is 64.2 secs Computing kpt #: 303 total cpu time spent up to now is 64.5 secs Computing kpt #: 304 total cpu time spent up to now is 65.2 secs Computing kpt #: 305 total cpu time spent up to now is 65.4 secs Computing kpt #: 306 total cpu time spent up to now is 65.7 secs Computing kpt #: 307 total cpu time spent up to now is 65.9 secs Computing kpt #: 308 total cpu time spent up to now is 66.1 secs Computing kpt #: 309 total cpu time spent up to now is 66.5 secs Computing kpt #: 310 total cpu time spent up to now is 66.7 secs Computing kpt #: 311 total cpu time spent up to now is 66.9 secs Computing kpt #: 312 total cpu time spent up to now is 67.1 secs Computing kpt #: 313 total cpu time spent up to now is 67.3 secs Computing kpt #: 314 total cpu time spent up to now is 67.5 secs Computing kpt #: 315 total cpu time spent up to now is 67.8 secs Computing kpt #: 316 total cpu time spent up to now is 68.0 secs Computing kpt #: 317 total cpu time spent up to now is 68.2 secs Computing kpt #: 318 total cpu time spent up to now is 68.4 secs Computing kpt #: 319 total cpu time spent up to now is 68.7 secs Computing kpt #: 320 total cpu time spent up to now is 69.0 secs Computing kpt #: 321 total cpu time spent up to now is 69.2 secs Computing kpt #: 322 total cpu time spent up to now is 69.4 secs Computing kpt #: 323 total cpu time spent up to now is 69.6 secs Computing kpt #: 324 total cpu time spent up to now is 69.8 secs Computing kpt #: 325 total cpu time spent up to now is 70.0 secs Computing kpt #: 326 total cpu time spent up to now is 70.3 secs Computing kpt #: 327 total cpu time spent up to now is 70.5 secs Computing kpt #: 328 total cpu time spent up to now is 70.7 secs Computing kpt #: 329 total cpu time spent up to now is 70.9 secs Computing kpt #: 330 total cpu time spent up to now is 71.1 secs Computing kpt #: 331 total cpu time spent up to now is 71.3 secs Computing kpt #: 332 total cpu time spent up to now is 71.5 secs Computing kpt #: 333 total cpu time spent up to now is 71.7 secs Computing kpt #: 334 total cpu time spent up to now is 71.9 secs Computing kpt #: 335 total cpu time spent up to now is 72.1 secs Computing kpt #: 336 total cpu time spent up to now is 72.3 secs Computing kpt #: 337 total cpu time spent up to now is 72.5 secs Computing kpt #: 338 total cpu time spent up to now is 72.7 secs Computing kpt #: 339 total cpu time spent up to now is 72.9 secs Computing kpt #: 340 total cpu time spent up to now is 73.1 secs Computing kpt #: 341 total cpu time spent up to now is 73.3 secs Computing kpt #: 342 total cpu time spent up to now is 73.5 secs Computing kpt #: 343 total cpu time spent up to now is 73.7 secs Computing kpt #: 344 total cpu time spent up to now is 73.9 secs Computing kpt #: 345 total cpu time spent up to now is 74.1 secs Computing kpt #: 346 total cpu time spent up to now is 74.3 secs Computing kpt #: 347 total cpu time spent up to now is 74.5 secs Computing kpt #: 348 total cpu time spent up to now is 74.7 secs Computing kpt #: 349 total cpu time spent up to now is 75.2 secs Computing kpt #: 350 total cpu time spent up to now is 75.4 secs Computing kpt #: 351 total cpu time spent up to now is 75.6 secs Computing kpt #: 352 total cpu time spent up to now is 75.8 secs Computing kpt #: 353 total cpu time spent up to now is 76.0 secs Computing kpt #: 354 total cpu time spent up to now is 76.2 secs Computing kpt #: 355 total cpu time spent up to now is 76.4 secs Computing kpt #: 356 total cpu time spent up to now is 76.6 secs Computing kpt #: 357 total cpu time spent up to now is 76.8 secs Computing kpt #: 358 total cpu time spent up to now is 77.0 secs Computing kpt #: 359 total cpu time spent up to now is 77.2 secs Computing kpt #: 360 total cpu time spent up to now is 77.5 secs Computing kpt #: 361 total cpu time spent up to now is 77.7 secs Computing kpt #: 362 total cpu time spent up to now is 77.9 secs Computing kpt #: 363 total cpu time spent up to now is 78.1 secs Computing kpt #: 364 total cpu time spent up to now is 78.3 secs Computing kpt #: 365 total cpu time spent up to now is 78.5 secs Computing kpt #: 366 total cpu time spent up to now is 78.7 secs Computing kpt #: 367 total cpu time spent up to now is 79.0 secs Computing kpt #: 368 total cpu time spent up to now is 79.2 secs Computing kpt #: 369 total cpu time spent up to now is 79.4 secs Computing kpt #: 370 total cpu time spent up to now is 79.6 secs Computing kpt #: 371 total cpu time spent up to now is 79.8 secs Computing kpt #: 372 total cpu time spent up to now is 80.0 secs Computing kpt #: 373 total cpu time spent up to now is 80.2 secs Computing kpt #: 374 total cpu time spent up to now is 80.4 secs Computing kpt #: 375 total cpu time spent up to now is 80.6 secs Computing kpt #: 376 total cpu time spent up to now is 80.8 secs Computing kpt #: 377 total cpu time spent up to now is 81.0 secs Computing kpt #: 378 total cpu time spent up to now is 81.2 secs Computing kpt #: 379 total cpu time spent up to now is 81.4 secs Computing kpt #: 380 total cpu time spent up to now is 81.6 secs Computing kpt #: 381 total cpu time spent up to now is 81.8 secs Computing kpt #: 382 total cpu time spent up to now is 82.0 secs Computing kpt #: 383 total cpu time spent up to now is 82.2 secs Computing kpt #: 384 total cpu time spent up to now is 82.4 secs Computing kpt #: 385 total cpu time spent up to now is 82.6 secs Computing kpt #: 386 total cpu time spent up to now is 82.8 secs Computing kpt #: 387 total cpu time spent up to now is 83.0 secs ethr = 7.14E-08, avg # of iterations = 13.6 total cpu time spent up to now is 83.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2049 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7532 -17.7532 -17.7436 -17.7436 -4.2742 -4.2742 6.2200 6.2200 6.8668 6.8668 7.3681 7.3681 9.7683 9.7683 11.2809 11.2809 k = 0.0082 0.0062-0.0078 ( 2050 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7532 -17.7532 -17.7436 -17.7436 -4.2731 -4.2731 6.2149 6.2149 6.8600 6.8600 7.3638 7.3638 9.7789 9.7789 11.2856 11.2856 k = 0.0164 0.0125-0.0156 ( 2050 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7630 -17.7630 -17.7531 -17.7531 -17.7436 -17.7436 -4.2696 -4.2696 6.1997 6.1997 6.8400 6.8400 7.3513 7.3513 9.8104 9.8104 11.2996 11.2996 k = 0.0246 0.0187-0.0234 ( 2050 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7630 -17.7630 -17.7531 -17.7531 -17.7435 -17.7435 -4.2637 -4.2637 6.1745 6.1745 6.8073 6.8073 7.3312 7.3312 9.8614 9.8614 11.3227 11.3227 k = 0.0328 0.0250-0.0312 ( 2050 PWs) bands (ev): -18.8004 -18.8004 -18.7871 -18.7871 -17.7630 -17.7630 -17.7531 -17.7531 -17.7435 -17.7435 -4.2556 -4.2556 6.1397 6.1397 6.7629 6.7629 7.3043 7.3043 9.9301 9.9301 11.3545 11.3545 k = 0.0410 0.0312-0.0390 ( 2051 PWs) bands (ev): -18.8003 -18.8003 -18.7871 -18.7871 -17.7629 -17.7629 -17.7531 -17.7531 -17.7435 -17.7435 -4.2451 -4.2451 6.0956 6.0956 6.7081 6.7081 7.2717 7.2717 10.0146 10.0146 11.3944 11.3944 k = 0.0492 0.0375-0.0468 ( 2051 PWs) bands (ev): -18.8003 -18.8003 -18.7870 -18.7870 -17.7628 -17.7628 -17.7530 -17.7530 -17.7435 -17.7435 -4.2323 -4.2323 6.0426 6.0426 6.6444 6.6444 7.2341 7.2341 10.1124 10.1124 11.4416 11.4416 k = 0.0574 0.0437-0.0546 ( 2049 PWs) bands (ev): -18.8002 -18.8002 -18.7870 -18.7870 -17.7627 -17.7627 -17.7529 -17.7529 -17.7434 -17.7434 -4.2172 -4.2172 5.9814 5.9814 6.5733 6.5733 7.1923 7.1923 10.2214 10.2214 11.4956 11.4956 k = 0.0656 0.0499-0.0624 ( 2057 PWs) bands (ev): -18.8002 -18.8002 -18.7869 -18.7869 -17.7626 -17.7626 -17.7529 -17.7529 -17.7434 -17.7434 -4.1998 -4.1998 5.9127 5.9127 6.4963 6.4963 7.1467 7.1467 10.3395 10.3395 11.5555 11.5555 k = 0.0738 0.0562-0.0702 ( 2057 PWs) bands (ev): -18.8001 -18.8001 -18.7868 -18.7868 -17.7625 -17.7625 -17.7528 -17.7528 -17.7434 -17.7434 -4.1802 -4.1802 5.8373 5.8373 6.4144 6.4144 7.0977 7.0977 10.4648 10.4648 11.6203 11.6203 k = 0.0820 0.0624-0.0780 ( 2055 PWs) bands (ev): -18.8000 -18.8000 -18.7867 -18.7867 -17.7624 -17.7624 -17.7527 -17.7527 -17.7433 -17.7433 -4.1583 -4.1583 5.7560 5.7560 6.3289 6.3289 7.0458 7.0458 10.5954 10.5954 11.6794 11.6795 k = 0.0902 0.0687-0.0858 ( 2057 PWs) bands (ev): -18.8000 -18.8000 -18.7867 -18.7867 -17.7622 -17.7622 -17.7526 -17.7526 -17.7432 -17.7432 -4.1342 -4.1342 5.6696 5.6696 6.2406 6.2406 6.9913 6.9913 10.7297 10.7297 11.5845 11.5845 k = 0.0984 0.0749-0.0936 ( 2053 PWs) bands (ev): -18.7999 -18.7999 -18.7866 -18.7866 -17.7621 -17.7621 -17.7526 -17.7526 -17.7432 -17.7432 -4.1079 -4.1079 5.5790 5.5790 6.1501 6.1501 6.9343 6.9343 10.8659 10.8659 11.4691 11.4691 k = 0.1066 0.0812-0.1014 ( 2055 PWs) bands (ev): -18.7998 -18.7998 -18.7865 -18.7865 -17.7619 -17.7619 -17.7525 -17.7525 -17.7431 -17.7431 -4.0793 -4.0793 5.4851 5.4851 6.0581 6.0581 6.8752 6.8752 11.0014 11.0014 11.3534 11.3534 k = 0.1148 0.0874-0.1092 ( 2052 PWs) bands (ev): -18.7997 -18.7997 -18.7863 -18.7863 -17.7617 -17.7617 -17.7524 -17.7524 -17.7430 -17.7430 -4.0487 -4.0487 5.3886 5.3886 5.9649 5.9649 6.8142 6.8142 11.1258 11.1258 11.2475 11.2475 k = 0.1230 0.0936-0.1170 ( 2056 PWs) bands (ev): -18.7996 -18.7996 -18.7862 -18.7862 -17.7615 -17.7615 -17.7522 -17.7522 -17.7429 -17.7429 -4.0159 -4.0159 5.2902 5.2902 5.8709 5.8709 6.7515 6.7515 11.1004 11.1004 11.2890 11.2890 k = 0.1311 0.0999-0.1248 ( 2055 PWs) bands (ev): -18.7995 -18.7995 -18.7861 -18.7861 -17.7614 -17.7614 -17.7521 -17.7521 -17.7428 -17.7428 -3.9810 -3.9810 5.1906 5.1906 5.7764 5.7764 6.6873 6.6873 10.9882 10.9882 11.4135 11.4135 k = 0.1393 0.1061-0.1326 ( 2051 PWs) bands (ev): -18.7994 -18.7994 -18.7860 -18.7860 -17.7612 -17.7612 -17.7520 -17.7520 -17.7427 -17.7427 -3.9441 -3.9441 5.0903 5.0903 5.6817 5.6817 6.6219 6.6219 10.8723 10.8723 11.5366 11.5366 k = 0.1475 0.1124-0.1404 ( 2052 PWs) bands (ev): -18.7993 -18.7993 -18.7858 -18.7858 -17.7610 -17.7610 -17.7519 -17.7519 -17.7426 -17.7426 -3.9051 -3.9051 4.9898 4.9898 5.5871 5.5871 6.5556 6.5556 10.7565 10.7565 11.6526 11.6526 k = 0.1557 0.1186-0.1482 ( 2055 PWs) bands (ev): -18.7991 -18.7991 -18.7857 -18.7857 -17.7608 -17.7608 -17.7518 -17.7518 -17.7425 -17.7425 -3.8643 -3.8643 4.8896 4.8896 5.4928 5.4928 6.4884 6.4884 10.6417 10.6417 11.7589 11.7589 k = 0.1639 0.1249-0.1560 ( 2057 PWs) bands (ev): -18.7990 -18.7990 -18.7855 -18.7855 -17.7606 -17.7606 -17.7517 -17.7517 -17.7423 -17.7423 -3.8214 -3.8214 4.7900 4.7900 5.3989 5.3989 6.4206 6.4206 10.5282 10.5282 11.8527 11.8527 k = 0.1721 0.1311-0.1638 ( 2057 PWs) bands (ev): -18.7989 -18.7989 -18.7854 -18.7854 -17.7604 -17.7604 -17.7516 -17.7516 -17.7422 -17.7422 -3.7768 -3.7768 4.6914 4.6914 5.3056 5.3056 6.3525 6.3525 10.4162 10.4162 11.9310 11.9310 k = 0.1803 0.1373-0.1716 ( 2057 PWs) bands (ev): -18.7987 -18.7987 -18.7852 -18.7852 -17.7602 -17.7602 -17.7514 -17.7514 -17.7420 -17.7420 -3.7303 -3.7303 4.5940 4.5940 5.2132 5.2132 6.2841 6.2841 10.3060 10.3060 11.9906 11.9906 k = 0.1885 0.1436-0.1794 ( 2051 PWs) bands (ev): -18.7986 -18.7986 -18.7851 -18.7851 -17.7600 -17.7600 -17.7513 -17.7513 -17.7418 -17.7418 -3.6821 -3.6821 4.4982 4.4982 5.1218 5.1218 6.2157 6.2157 10.1976 10.1976 12.0277 12.0277 k = 0.1967 0.1498-0.1872 ( 2043 PWs) bands (ev): -18.7985 -18.7985 -18.7849 -18.7849 -17.7598 -17.7598 -17.7512 -17.7512 -17.7416 -17.7416 -3.6322 -3.6322 4.4040 4.4040 5.0316 5.0316 6.1475 6.1475 10.0912 10.0912 12.0384 12.0384 k = 0.2049 0.1561-0.1950 ( 2043 PWs) bands (ev): -18.7983 -18.7983 -18.7847 -18.7847 -17.7595 -17.7595 -17.7511 -17.7511 -17.7414 -17.7414 -3.5807 -3.5807 4.3117 4.3117 4.9426 4.9426 6.0796 6.0796 9.9869 9.9869 12.0192 12.0192 k = 0.2131 0.1623-0.2028 ( 2044 PWs) bands (ev): -18.7982 -18.7982 -18.7846 -18.7846 -17.7593 -17.7593 -17.7510 -17.7510 -17.7412 -17.7412 -3.5277 -3.5277 4.2215 4.2215 4.8550 4.8550 6.0122 6.0122 9.8847 9.8847 11.9681 11.9681 k = 0.2213 0.1686-0.2106 ( 2037 PWs) bands (ev): -18.7981 -18.7981 -18.7844 -18.7844 -17.7592 -17.7592 -17.7509 -17.7509 -17.7409 -17.7409 -3.4732 -3.4732 4.1334 4.1334 4.7690 4.7690 5.9455 5.9455 9.7846 9.7846 11.8855 11.8855 k = 0.2295 0.1748-0.2184 ( 2037 PWs) bands (ev): -18.7979 -18.7979 -18.7842 -18.7842 -17.7590 -17.7590 -17.7508 -17.7508 -17.7407 -17.7407 -3.4174 -3.4174 4.0477 4.0477 4.6847 4.6847 5.8795 5.8795 9.6868 9.6868 11.7741 11.7741 k = 0.2377 0.1810-0.2262 ( 2039 PWs) bands (ev): -18.7978 -18.7978 -18.7841 -18.7841 -17.7588 -17.7588 -17.7507 -17.7507 -17.7404 -17.7404 -3.3604 -3.3604 3.9644 3.9644 4.6021 4.6021 5.8144 5.8144 9.5912 9.5912 11.6385 11.6385 k = 0.2459 0.1873-0.2340 ( 2043 PWs) bands (ev): -18.7977 -18.7977 -18.7839 -18.7839 -17.7586 -17.7586 -17.7507 -17.7507 -17.7402 -17.7402 -3.3022 -3.3022 3.8836 3.8836 4.5214 4.5214 5.7504 5.7504 9.4978 9.4978 11.4840 11.4840 k = 0.2541 0.1935-0.2418 ( 2047 PWs) bands (ev): -18.7975 -18.7975 -18.7837 -18.7837 -17.7584 -17.7584 -17.7506 -17.7506 -17.7399 -17.7399 -3.2430 -3.2430 3.8054 3.8054 4.4426 4.4426 5.6875 5.6875 9.4067 9.4067 11.3156 11.3156 k = 0.2623 0.1998-0.2496 ( 2049 PWs) bands (ev): -18.7974 -18.7974 -18.7836 -18.7836 -17.7582 -17.7582 -17.7505 -17.7505 -17.7396 -17.7396 -3.1828 -3.1828 3.7299 3.7299 4.3658 4.3658 5.6259 5.6259 9.3177 9.3177 11.1376 11.1376 k = 0.2705 0.2060-0.2574 ( 2043 PWs) bands (ev): -18.7973 -18.7973 -18.7834 -18.7834 -17.7581 -17.7581 -17.7505 -17.7505 -17.7393 -17.7393 -3.1219 -3.1219 3.6572 3.6572 4.2912 4.2912 5.5656 5.5656 9.2308 9.2308 10.9534 10.9534 k = 0.2787 0.2123-0.2652 ( 2046 PWs) bands (ev): -18.7971 -18.7971 -18.7832 -18.7832 -17.7579 -17.7579 -17.7504 -17.7504 -17.7390 -17.7390 -3.0604 -3.0604 3.5873 3.5873 4.2187 4.2187 5.5069 5.5069 9.1460 9.1460 10.7658 10.7658 k = 0.2869 0.2185-0.2730 ( 2048 PWs) bands (ev): -18.7970 -18.7970 -18.7831 -18.7831 -17.7578 -17.7578 -17.7503 -17.7503 -17.7386 -17.7386 -2.9983 -2.9983 3.5202 3.5202 4.1486 4.1486 5.4497 5.4497 9.0631 9.0631 10.5770 10.5770 k = 0.2951 0.2247-0.2808 ( 2048 PWs) bands (ev): -18.7969 -18.7969 -18.7829 -18.7829 -17.7576 -17.7576 -17.7503 -17.7503 -17.7383 -17.7383 -2.9359 -2.9359 3.4560 3.4560 4.0807 4.0807 5.3942 5.3942 8.9819 8.9819 10.3889 10.3889 k = 0.3033 0.2310-0.2886 ( 2051 PWs) bands (ev): -18.7967 -18.7967 -18.7827 -18.7827 -17.7575 -17.7575 -17.7503 -17.7503 -17.7380 -17.7380 -2.8734 -2.8734 3.3948 3.3948 4.0152 4.0152 5.3404 5.3404 8.9022 8.9022 10.2030 10.2030 k = 0.3115 0.2372-0.2964 ( 2056 PWs) bands (ev): -18.7966 -18.7966 -18.7826 -18.7826 -17.7573 -17.7573 -17.7502 -17.7502 -17.7377 -17.7377 -2.8108 -2.8108 3.3365 3.3365 3.9521 3.9521 5.2885 5.2885 8.8237 8.8237 10.0205 10.0205 k = 0.3197 0.2435-0.3042 ( 2060 PWs) bands (ev): -18.7965 -18.7965 -18.7824 -18.7824 -17.7572 -17.7572 -17.7502 -17.7502 -17.7373 -17.7373 -2.7485 -2.7485 3.2812 3.2812 3.8915 3.8915 5.2384 5.2384 8.7461 8.7461 9.8428 9.8428 k = 0.3279 0.2497-0.3120 ( 2060 PWs) bands (ev): -18.7964 -18.7964 -18.7823 -18.7823 -17.7571 -17.7571 -17.7502 -17.7502 -17.7370 -17.7370 -2.6865 -2.6865 3.2289 3.2289 3.8334 3.8334 5.1903 5.1903 8.6687 8.6687 9.6712 9.6712 k = 0.3361 0.2560-0.3198 ( 2060 PWs) bands (ev): -18.7963 -18.7963 -18.7821 -18.7821 -17.7570 -17.7570 -17.7501 -17.7501 -17.7367 -17.7367 -2.6251 -2.6251 3.1796 3.1796 3.7779 3.7779 5.1442 5.1442 8.5909 8.5909 9.5068 9.5068 k = 0.3443 0.2622-0.3276 ( 2056 PWs) bands (ev): -18.7962 -18.7962 -18.7820 -18.7820 -17.7569 -17.7569 -17.7501 -17.7501 -17.7364 -17.7364 -2.5645 -2.5645 3.1333 3.1333 3.7251 3.7251 5.1002 5.1002 8.5120 8.5120 9.3512 9.3512 k = 0.3525 0.2684-0.3354 ( 2050 PWs) bands (ev): -18.7961 -18.7961 -18.7819 -18.7819 -17.7568 -17.7568 -17.7501 -17.7501 -17.7361 -17.7361 -2.5050 -2.5050 3.0900 3.0900 3.6748 3.6748 5.0584 5.0584 8.4309 8.4309 9.2058 9.2058 k = 0.3607 0.2747-0.3432 ( 2046 PWs) bands (ev): -18.7960 -18.7960 -18.7817 -18.7817 -17.7567 -17.7567 -17.7501 -17.7501 -17.7358 -17.7358 -2.4467 -2.4467 3.0497 3.0497 3.6273 3.6273 5.0187 5.0187 8.3467 8.3467 9.0719 9.0719 k = 0.3689 0.2809-0.3510 ( 2039 PWs) bands (ev): -18.7959 -18.7959 -18.7816 -18.7816 -17.7566 -17.7566 -17.7500 -17.7500 -17.7355 -17.7355 -2.3899 -2.3899 3.0124 3.0124 3.5824 3.5824 4.9812 4.9812 8.2588 8.2588 8.9509 8.9509 k = 0.3770 0.2872-0.3588 ( 2043 PWs) bands (ev): -18.7958 -18.7958 -18.7815 -18.7815 -17.7565 -17.7565 -17.7500 -17.7500 -17.7352 -17.7352 -2.3348 -2.3348 2.9779 2.9779 3.5403 3.5403 4.9460 4.9460 8.1668 8.1668 8.8433 8.8433 k = 0.3852 0.2934-0.3666 ( 2050 PWs) bands (ev): -18.7957 -18.7957 -18.7814 -18.7814 -17.7565 -17.7565 -17.7500 -17.7500 -17.7349 -17.7349 -2.2818 -2.2818 2.9463 2.9463 3.5010 3.5010 4.9131 4.9131 8.0713 8.0713 8.7491 8.7491 k = 0.3934 0.2997-0.3745 ( 2054 PWs) bands (ev): -18.7956 -18.7956 -18.7813 -18.7813 -17.7564 -17.7564 -17.7500 -17.7500 -17.7347 -17.7347 -2.2310 -2.2310 2.9175 2.9175 3.4644 3.4644 4.8824 4.8824 7.9736 7.9736 8.6675 8.6675 k = 0.4016 0.3059-0.3823 ( 2050 PWs) bands (ev): -18.7955 -18.7955 -18.7812 -18.7812 -17.7563 -17.7563 -17.7500 -17.7500 -17.7344 -17.7344 -2.1827 -2.1827 2.8914 2.8914 3.4306 3.4306 4.8542 4.8542 7.8754 7.8754 8.5972 8.5972 k = 0.4098 0.3121-0.3901 ( 2052 PWs) bands (ev): -18.7955 -18.7955 -18.7811 -18.7811 -17.7563 -17.7563 -17.7500 -17.7500 -17.7342 -17.7342 -2.1371 -2.1371 2.8679 2.8679 3.3996 3.3996 4.8282 4.8282 7.7786 7.7786 8.5368 8.5368 k = 0.4180 0.3184-0.3979 ( 2054 PWs) bands (ev): -18.7954 -18.7954 -18.7810 -18.7810 -17.7562 -17.7562 -17.7500 -17.7500 -17.7340 -17.7340 -2.0946 -2.0946 2.8469 2.8469 3.3714 3.3714 4.8046 4.8046 7.6850 7.6850 8.4849 8.4849 k = 0.4262 0.3246-0.4057 ( 2049 PWs) bands (ev): -18.7953 -18.7953 -18.7809 -18.7809 -17.7562 -17.7562 -17.7500 -17.7500 -17.7338 -17.7338 -2.0553 -2.0553 2.8284 2.8284 3.3460 3.3460 4.7834 4.7834 7.5962 7.5962 8.4403 8.4403 k = 0.4344 0.3309-0.4135 ( 2055 PWs) bands (ev): -18.7953 -18.7953 -18.7809 -18.7809 -17.7562 -17.7562 -17.7500 -17.7500 -17.7336 -17.7336 -2.0194 -2.0194 2.8122 2.8122 3.3233 3.3233 4.7644 4.7644 7.5136 7.5136 8.4020 8.4020 k = 0.4426 0.3371-0.4213 ( 2055 PWs) bands (ev): -18.7953 -18.7953 -18.7808 -18.7808 -17.7561 -17.7561 -17.7500 -17.7500 -17.7334 -17.7334 -1.9872 -1.9872 2.7982 2.7982 3.3034 3.3034 4.7478 4.7478 7.4383 7.4383 8.3695 8.3695 k = 0.4508 0.3434-0.4291 ( 2049 PWs) bands (ev): -18.7952 -18.7952 -18.7808 -18.7808 -17.7561 -17.7561 -17.7500 -17.7500 -17.7333 -17.7333 -1.9588 -1.9588 2.7864 2.7864 3.2862 3.2862 4.7335 4.7335 7.3713 7.3713 8.3421 8.3421 k = 0.4590 0.3496-0.4369 ( 2045 PWs) bands (ev): -18.7952 -18.7952 -18.7807 -18.7807 -17.7561 -17.7561 -17.7500 -17.7500 -17.7332 -17.7332 -1.9345 -1.9345 2.7765 2.7765 3.2718 3.2718 4.7215 4.7215 7.3133 7.3133 8.3194 8.3194 k = 0.4672 0.3558-0.4447 ( 2047 PWs) bands (ev): -18.7952 -18.7952 -18.7807 -18.7807 -17.7561 -17.7561 -17.7500 -17.7500 -17.7331 -17.7331 -1.9144 -1.9144 2.7686 2.7686 3.2600 3.2600 4.7116 4.7116 7.2651 7.2651 8.3012 8.3012 k = 0.4754 0.3621-0.4525 ( 2045 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7561 -17.7561 -17.7500 -17.7500 -17.7330 -17.7330 -1.8987 -1.8987 2.7626 2.7626 3.2508 3.2508 4.7041 4.7041 7.2270 7.2270 8.2873 8.2873 k = 0.4836 0.3683-0.4603 ( 2045 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7561 -17.7561 -17.7499 -17.7499 -17.7329 -17.7329 -1.8873 -1.8873 2.7583 2.7583 3.2443 3.2443 4.6987 4.6987 7.1996 7.1996 8.2774 8.2774 k = 0.4918 0.3746-0.4681 ( 2043 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7499 -17.7499 -17.7329 -17.7329 -1.8805 -1.8805 2.7558 2.7558 3.2404 3.2404 4.6954 4.6954 7.1830 7.1830 8.2715 8.2715 k = 0.5000 0.3808-0.4759 ( 2048 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7499 -17.7499 -17.7329 -17.7329 -1.8782 -1.8782 2.7549 2.7549 3.2391 3.2391 4.6943 4.6943 7.1774 7.1774 8.2695 8.2695 k = 0.5000 0.3808-0.4759 ( 2048 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7499 -17.7499 -17.7329 -17.7329 -1.8782 -1.8782 2.7549 2.7549 3.2391 3.2391 4.6943 4.6943 7.1774 7.1774 8.2695 8.2695 k = 0.5061 0.3854-0.4658 ( 2043 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7499 -17.7499 -17.7329 -17.7329 -1.8783 -1.8783 2.7561 2.7561 3.2404 3.2404 4.6858 4.6858 7.1789 7.1789 8.2823 8.2823 k = 0.5121 0.3900-0.4557 ( 2043 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7561 -17.7561 -17.7499 -17.7499 -17.7329 -17.7329 -1.8787 -1.8787 2.7597 2.7597 3.2443 3.2443 4.6605 4.6605 7.1832 7.1832 8.3204 8.3204 k = 0.5182 0.3947-0.4457 ( 2043 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7561 -17.7561 -17.7499 -17.7499 -17.7330 -17.7330 -1.8795 -1.8795 2.7656 2.7656 3.2506 3.2506 4.6196 4.6196 7.1904 7.1904 8.3825 8.3825 k = 0.5242 0.3993-0.4356 ( 2047 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7561 -17.7561 -17.7498 -17.7498 -17.7330 -17.7330 -1.8805 -1.8805 2.7738 2.7738 3.2595 3.2595 4.5650 4.5650 7.2003 7.2003 8.4671 8.4671 k = 0.5303 0.4039-0.4256 ( 2047 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7561 -17.7561 -17.7497 -17.7497 -17.7331 -17.7331 -1.8819 -1.8819 2.7843 2.7843 3.2710 3.2710 4.4989 4.4989 7.2131 7.2131 8.5719 8.5719 k = 0.5364 0.4085-0.4155 ( 2047 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7561 -17.7561 -17.7497 -17.7497 -17.7332 -17.7332 -1.8838 -1.8838 2.7971 2.7971 3.2848 3.2848 4.4234 4.4234 7.2286 7.2286 8.6949 8.6949 k = 0.5424 0.4131-0.4054 ( 2045 PWs) bands (ev): -18.7952 -18.7952 -18.7806 -18.7806 -17.7562 -17.7562 -17.7496 -17.7496 -17.7333 -17.7333 -1.8863 -1.8863 2.8119 2.8119 3.3012 3.3012 4.3411 4.3411 7.2469 7.2469 8.8338 8.8338 k = 0.5485 0.4177-0.3954 ( 2043 PWs) bands (ev): -18.7952 -18.7952 -18.7806 -18.7806 -17.7562 -17.7562 -17.7494 -17.7494 -17.7334 -17.7334 -1.8894 -1.8894 2.8288 2.8288 3.3198 3.3198 4.2539 4.2539 7.2679 7.2679 8.9867 8.9867 k = 0.5545 0.4223-0.3853 ( 2043 PWs) bands (ev): -18.7952 -18.7952 -18.7806 -18.7806 -17.7563 -17.7563 -17.7493 -17.7493 -17.7336 -17.7336 -1.8932 -1.8932 2.8476 2.8476 3.3408 3.3408 4.1640 4.1640 7.2917 7.2917 9.1518 9.1518 k = 0.5606 0.4270-0.3753 ( 2044 PWs) bands (ev): -18.7952 -18.7952 -18.7806 -18.7806 -17.7563 -17.7563 -17.7492 -17.7492 -17.7337 -17.7337 -1.8979 -1.8979 2.8680 2.8680 3.3638 3.3638 4.0734 4.0734 7.3182 7.3182 9.3274 9.3274 k = 0.5667 0.4316-0.3652 ( 2051 PWs) bands (ev): -18.7952 -18.7952 -18.7806 -18.7806 -17.7564 -17.7564 -17.7490 -17.7490 -17.7339 -17.7339 -1.9037 -1.9037 2.8898 2.8898 3.3886 3.3886 3.9839 3.9839 7.3474 7.3474 9.5121 9.5121 k = 0.5727 0.4362-0.3551 ( 2049 PWs) bands (ev): -18.7953 -18.7953 -18.7806 -18.7806 -17.7564 -17.7564 -17.7489 -17.7489 -17.7341 -17.7341 -1.9105 -1.9105 2.9125 2.9125 3.4147 3.4147 3.8978 3.8978 7.3794 7.3794 9.7046 9.7046 k = 0.5727 0.4362-0.3551 ( 2049 PWs) bands (ev): -18.7953 -18.7953 -18.7806 -18.7806 -17.7564 -17.7564 -17.7489 -17.7489 -17.7341 -17.7341 -1.9105 -1.9105 2.9125 2.9125 3.4147 3.4147 3.8978 3.8978 7.3794 7.3794 9.7046 9.7046 k = 0.5708 0.4347-0.3426 ( 2052 PWs) bands (ev): -18.7953 -18.7953 -18.7806 -18.7806 -17.7565 -17.7565 -17.7488 -17.7488 -17.7341 -17.7341 -1.9137 -1.9137 2.9131 2.9131 3.4305 3.4305 3.8659 3.8659 7.4051 7.4051 9.8297 9.8297 k = 0.5689 0.4333-0.3301 ( 2052 PWs) bands (ev): -18.7954 -18.7954 -18.7806 -18.7806 -17.7566 -17.7566 -17.7486 -17.7486 -17.7341 -17.7341 -1.9191 -1.9191 2.9082 2.9082 3.4470 3.4470 3.8451 3.8451 7.4376 7.4376 9.9586 9.9586 k = 0.5670 0.4318-0.3176 ( 2048 PWs) bands (ev): -18.7954 -18.7954 -18.7805 -18.7805 -17.7568 -17.7568 -17.7485 -17.7485 -17.7342 -17.7342 -1.9264 -1.9264 2.8965 2.8965 3.4646 3.4646 3.8362 3.8362 7.4770 7.4770 10.0906 10.0906 k = 0.5651 0.4304-0.3051 ( 2046 PWs) bands (ev): -18.7955 -18.7955 -18.7805 -18.7805 -17.7569 -17.7569 -17.7484 -17.7484 -17.7342 -17.7342 -1.9355 -1.9355 2.8774 2.8774 3.4838 3.4838 3.8396 3.8396 7.5232 7.5232 10.2252 10.2252 k = 0.5631 0.4289-0.2925 ( 2038 PWs) bands (ev): -18.7956 -18.7956 -18.7804 -18.7804 -17.7570 -17.7570 -17.7483 -17.7483 -17.7342 -17.7342 -1.9464 -1.9464 2.8507 2.8507 3.5054 3.5054 3.8544 3.8544 7.5761 7.5761 10.3616 10.3616 k = 0.5612 0.4274-0.2800 ( 2034 PWs) bands (ev): -18.7957 -18.7957 -18.7804 -18.7804 -17.7572 -17.7572 -17.7482 -17.7482 -17.7343 -17.7343 -1.9589 -1.9589 2.8170 2.8170 3.5302 3.5302 3.8793 3.8793 7.6355 7.6355 10.4989 10.4989 k = 0.5593 0.4260-0.2675 ( 2032 PWs) bands (ev): -18.7957 -18.7957 -18.7804 -18.7804 -17.7574 -17.7574 -17.7481 -17.7481 -17.7343 -17.7343 -1.9728 -1.9728 2.7773 2.7773 3.5585 3.5585 3.9129 3.9129 7.7012 7.7012 10.6358 10.6358 k = 0.5574 0.4245-0.2550 ( 2026 PWs) bands (ev): -18.7958 -18.7958 -18.7803 -18.7803 -17.7575 -17.7575 -17.7479 -17.7479 -17.7344 -17.7344 -1.9879 -1.9879 2.7330 2.7330 3.5904 3.5904 3.9538 3.9538 7.7732 7.7732 10.7706 10.7706 k = 0.5555 0.4231-0.2424 ( 2024 PWs) bands (ev): -18.7959 -18.7959 -18.7803 -18.7803 -17.7577 -17.7577 -17.7478 -17.7478 -17.7344 -17.7344 -2.0042 -2.0042 2.6851 2.6851 3.6258 3.6258 4.0009 4.0009 7.8512 7.8512 10.9008 10.9008 k = 0.5536 0.4216-0.2299 ( 2024 PWs) bands (ev): -18.7960 -18.7960 -18.7803 -18.7803 -17.7579 -17.7579 -17.7477 -17.7477 -17.7345 -17.7345 -2.0214 -2.0214 2.6348 2.6348 3.6642 3.6642 4.0532 4.0532 7.9349 7.9349 11.0226 11.0226 k = 0.5517 0.4202-0.2174 ( 2022 PWs) bands (ev): -18.7961 -18.7961 -18.7802 -18.7802 -17.7581 -17.7581 -17.7476 -17.7476 -17.7345 -17.7345 -2.0394 -2.0394 2.5830 2.5830 3.7055 3.7055 4.1101 4.1101 8.0239 8.0239 11.1307 11.1308 k = 0.5497 0.4187-0.2049 ( 2028 PWs) bands (ev): -18.7962 -18.7962 -18.7802 -18.7802 -17.7583 -17.7583 -17.7475 -17.7475 -17.7345 -17.7345 -2.0581 -2.0581 2.5304 2.5304 3.7493 3.7493 4.1710 4.1710 8.1179 8.1179 11.2179 11.2179 k = 0.5478 0.4172-0.1924 ( 2028 PWs) bands (ev): -18.7964 -18.7964 -18.7802 -18.7802 -17.7585 -17.7585 -17.7473 -17.7473 -17.7346 -17.7346 -2.0772 -2.0772 2.4776 2.4776 3.7953 3.7953 4.2354 4.2354 8.2163 8.2163 11.2753 11.2753 k = 0.5459 0.4158-0.1798 ( 2028 PWs) bands (ev): -18.7965 -18.7965 -18.7801 -18.7801 -17.7588 -17.7588 -17.7472 -17.7472 -17.7346 -17.7346 -2.0967 -2.0967 2.4251 2.4251 3.8433 3.8433 4.3030 4.3030 8.3186 8.3186 11.2956 11.2956 k = 0.5440 0.4143-0.1673 ( 2032 PWs) bands (ev): -18.7966 -18.7966 -18.7801 -18.7801 -17.7590 -17.7590 -17.7471 -17.7471 -17.7346 -17.7346 -2.1164 -2.1164 2.3733 2.3733 3.8930 3.8930 4.3733 4.3733 8.4237 8.4237 11.2771 11.2771 k = 0.5421 0.4129-0.1548 ( 2036 PWs) bands (ev): -18.7967 -18.7967 -18.7801 -18.7801 -17.7592 -17.7592 -17.7470 -17.7470 -17.7347 -17.7347 -2.1362 -2.1362 2.3226 2.3226 3.9441 3.9441 4.4462 4.4462 8.5307 8.5307 11.2254 11.2254 k = 0.5402 0.4114-0.1423 ( 2040 PWs) bands (ev): -18.7968 -18.7968 -18.7800 -18.7800 -17.7594 -17.7594 -17.7469 -17.7469 -17.7347 -17.7347 -2.1560 -2.1560 2.2731 2.2731 3.9965 3.9965 4.5213 4.5213 8.6380 8.6380 11.1510 11.1510 k = 0.5383 0.4100-0.1297 ( 2041 PWs) bands (ev): -18.7969 -18.7969 -18.7800 -18.7800 -17.7597 -17.7597 -17.7468 -17.7468 -17.7347 -17.7347 -2.1755 -2.1755 2.2251 2.2251 4.0499 4.0499 4.5983 4.5983 8.7436 8.7436 11.0647 11.0647 k = 0.5364 0.4085-0.1172 ( 2042 PWs) bands (ev): -18.7970 -18.7970 -18.7800 -18.7800 -17.7599 -17.7599 -17.7467 -17.7467 -17.7347 -17.7347 -2.1948 -2.1948 2.1787 2.1787 4.1041 4.1041 4.6771 4.6771 8.8447 8.8447 10.9763 10.9763 k = 0.5344 0.4070-0.1047 ( 2040 PWs) bands (ev): -18.7971 -18.7971 -18.7799 -18.7799 -17.7601 -17.7601 -17.7466 -17.7466 -17.7347 -17.7347 -2.2137 -2.2137 2.1342 2.1342 4.1588 4.1588 4.7573 4.7573 8.9375 8.9375 10.8945 10.8945 k = 0.5325 0.4056-0.0922 ( 2036 PWs) bands (ev): -18.7972 -18.7972 -18.7799 -18.7799 -17.7603 -17.7603 -17.7465 -17.7465 -17.7347 -17.7347 -2.2321 -2.2321 2.0916 2.0916 4.2138 4.2138 4.8388 4.8388 9.0173 9.0173 10.8272 10.8272 k = 0.5306 0.4041-0.0796 ( 2029 PWs) bands (ev): -18.7973 -18.7973 -18.7799 -18.7799 -17.7606 -17.7606 -17.7464 -17.7464 -17.7347 -17.7347 -2.2500 -2.2500 2.0510 2.0510 4.2689 4.2689 4.9212 4.9212 9.0785 9.0785 10.7814 10.7814 k = 0.5287 0.4027-0.0671 ( 2027 PWs) bands (ev): -18.7974 -18.7974 -18.7799 -18.7799 -17.7608 -17.7608 -17.7464 -17.7464 -17.7347 -17.7347 -2.2671 -2.2671 2.0125 2.0125 4.3236 4.3236 5.0043 5.0043 9.1156 9.1156 10.7549 10.7549 k = 0.5268 0.4012-0.0546 ( 2029 PWs) bands (ev): -18.7975 -18.7975 -18.7798 -18.7798 -17.7610 -17.7610 -17.7463 -17.7463 -17.7346 -17.7346 -2.2835 -2.2835 1.9763 1.9763 4.3778 4.3778 5.0878 5.0878 9.1254 9.1254 10.6559 10.6559 k = 0.5249 0.3998-0.0421 ( 2029 PWs) bands (ev): -18.7976 -18.7976 -18.7798 -18.7798 -17.7612 -17.7612 -17.7462 -17.7462 -17.7346 -17.7346 -2.2991 -2.2991 1.9423 1.9423 4.4310 4.4310 5.1712 5.1712 9.1079 9.1079 10.5295 10.5295 k = 0.5230 0.3983-0.0296 ( 2031 PWs) bands (ev): -18.7977 -18.7977 -18.7798 -18.7798 -17.7613 -17.7613 -17.7462 -17.7462 -17.7346 -17.7346 -2.3138 -2.3138 1.9106 1.9106 4.4828 4.4828 5.2541 5.2541 9.0667 9.0667 10.4079 10.4079 k = 0.5210 0.3968-0.0170 ( 2029 PWs) bands (ev): -18.7978 -18.7978 -18.7798 -18.7798 -17.7615 -17.7615 -17.7461 -17.7461 -17.7346 -17.7346 -2.3276 -2.3276 1.8813 1.8813 4.5329 4.5329 5.3360 5.3360 9.0075 9.0075 10.2931 10.2931 k = 0.5191 0.3954-0.0045 ( 2029 PWs) bands (ev): -18.7979 -18.7979 -18.7798 -18.7798 -17.7617 -17.7617 -17.7461 -17.7461 -17.7346 -17.7346 -2.3403 -2.3403 1.8545 1.8545 4.5809 4.5809 5.4163 5.4163 8.9360 8.9360 10.1860 10.1860 k = 0.5172 0.3939 0.0080 ( 2031 PWs) bands (ev): -18.7979 -18.7979 -18.7798 -18.7798 -17.7618 -17.7618 -17.7460 -17.7460 -17.7346 -17.7346 -2.3519 -2.3519 1.8301 1.8301 4.6263 4.6263 5.4943 5.4943 8.8576 8.8576 10.0870 10.0870 k = 0.5153 0.3925 0.0205 ( 2034 PWs) bands (ev): -18.7980 -18.7980 -18.7797 -18.7797 -17.7620 -17.7620 -17.7460 -17.7460 -17.7345 -17.7345 -2.3625 -2.3625 1.8081 1.8081 4.6686 4.6686 5.5692 5.5692 8.7766 8.7766 9.9967 9.9967 k = 0.5134 0.3910 0.0331 ( 2034 PWs) bands (ev): -18.7981 -18.7981 -18.7797 -18.7797 -17.7621 -17.7621 -17.7460 -17.7460 -17.7345 -17.7345 -2.3719 -2.3719 1.7887 1.7887 4.7073 4.7073 5.6399 5.6399 8.6965 8.6965 9.9155 9.9155 k = 0.5115 0.3896 0.0456 ( 2038 PWs) bands (ev): -18.7981 -18.7981 -18.7797 -18.7797 -17.7622 -17.7622 -17.7460 -17.7460 -17.7345 -17.7345 -2.3801 -2.3801 1.7719 1.7719 4.7421 4.7421 5.7053 5.7053 8.6203 8.6203 9.8439 9.8439 k = 0.5096 0.3881 0.0581 ( 2036 PWs) bands (ev): -18.7982 -18.7982 -18.7797 -18.7797 -17.7623 -17.7623 -17.7459 -17.7459 -17.7345 -17.7345 -2.3871 -2.3871 1.7576 1.7576 4.7724 4.7724 5.7641 5.7641 8.5507 8.5507 9.7824 9.7824 k = 0.5077 0.3866 0.0706 ( 2036 PWs) bands (ev): -18.7982 -18.7982 -18.7797 -18.7797 -17.7624 -17.7624 -17.7459 -17.7459 -17.7345 -17.7345 -2.3929 -2.3929 1.7458 1.7458 4.7979 4.7979 5.8151 5.8151 8.4900 8.4900 9.7315 9.7315 k = 0.5057 0.3852 0.0831 ( 2037 PWs) bands (ev): -18.7982 -18.7982 -18.7797 -18.7797 -17.7624 -17.7624 -17.7459 -17.7459 -17.7345 -17.7345 -2.3974 -2.3974 1.7367 1.7367 4.8181 4.8181 5.8566 5.8566 8.4402 8.4402 9.6914 9.6914 k = 0.5038 0.3837 0.0957 ( 2034 PWs) bands (ev): -18.7982 -18.7982 -18.7797 -18.7797 -17.7625 -17.7625 -17.7459 -17.7459 -17.7344 -17.7344 -2.4007 -2.4007 1.7302 1.7302 4.8328 4.8328 5.8875 5.8875 8.4031 8.4031 9.6626 9.6626 k = 0.5019 0.3823 0.1082 ( 2034 PWs) bands (ev): -18.7983 -18.7983 -18.7797 -18.7797 -17.7625 -17.7625 -17.7459 -17.7459 -17.7344 -17.7344 -2.4026 -2.4026 1.7263 1.7263 4.8417 4.8417 5.9065 5.9065 8.3803 8.3803 9.6452 9.6452 k = 0.5000 0.3808 0.1207 ( 2030 PWs) bands (ev): -18.7983 -18.7983 -18.7797 -18.7797 -17.7625 -17.7625 -17.7459 -17.7459 -17.7344 -17.7344 -2.4032 -2.4032 1.7250 1.7250 4.8447 4.8447 5.9129 5.9129 8.3726 8.3726 9.6394 9.6394 k = 0.5000 0.3808 0.1207 ( 2030 PWs) bands (ev): -18.7983 -18.7983 -18.7797 -18.7797 -17.7625 -17.7625 -17.7459 -17.7459 -17.7344 -17.7344 -2.4032 -2.4032 1.7250 1.7250 4.8447 4.8447 5.9129 5.9129 8.3726 8.3726 9.6394 9.6394 k = 0.5077 0.3707 0.1207 ( 2032 PWs) bands (ev): -18.7983 -18.7983 -18.7797 -18.7797 -17.7625 -17.7625 -17.7459 -17.7459 -17.7344 -17.7344 -2.4030 -2.4030 1.7263 1.7263 4.8386 4.8386 5.9065 5.9065 8.3826 8.3826 9.6458 9.6458 k = 0.5154 0.3607 0.1207 ( 2036 PWs) bands (ev): -18.7983 -18.7983 -18.7797 -18.7797 -17.7625 -17.7625 -17.7459 -17.7459 -17.7345 -17.7345 -2.4023 -2.4023 1.7305 1.7305 4.8206 4.8206 5.8873 5.8873 8.4122 8.4122 9.6650 9.6650 k = 0.5230 0.3506 0.1207 ( 2034 PWs) bands (ev): -18.7982 -18.7982 -18.7797 -18.7797 -17.7624 -17.7624 -17.7459 -17.7459 -17.7345 -17.7345 -2.4011 -2.4011 1.7374 1.7374 4.7912 4.7912 5.8560 5.8560 8.4608 8.4608 9.6964 9.6964 k = 0.5307 0.3405 0.1207 ( 2036 PWs) bands (ev): -18.7982 -18.7982 -18.7797 -18.7797 -17.7624 -17.7624 -17.7459 -17.7459 -17.7345 -17.7345 -2.3995 -2.3995 1.7471 1.7471 4.7516 4.7516 5.8133 5.8133 8.5272 8.5272 9.7393 9.7393 k = 0.5384 0.3304 0.1207 ( 2034 PWs) bands (ev): -18.7982 -18.7982 -18.7798 -18.7798 -17.7624 -17.7624 -17.7459 -17.7459 -17.7346 -17.7346 -2.3974 -2.3974 1.7595 1.7595 4.7029 4.7029 5.7603 5.7603 8.6100 8.6100 9.7927 9.7927 k = 0.5461 0.3203 0.1207 ( 2034 PWs) bands (ev): -18.7982 -18.7982 -18.7798 -18.7798 -17.7623 -17.7623 -17.7459 -17.7459 -17.7347 -17.7347 -2.3950 -2.3950 1.7747 1.7747 4.6465 4.6465 5.6980 5.6980 8.7078 8.7078 9.8555 9.8555 k = 0.5537 0.3103 0.1207 ( 2030 PWs) bands (ev): -18.7982 -18.7982 -18.7798 -18.7798 -17.7622 -17.7622 -17.7459 -17.7459 -17.7348 -17.7348 -2.3922 -2.3922 1.7925 1.7925 4.5839 4.5839 5.6276 5.6276 8.8190 8.8190 9.9265 9.9265 k = 0.5614 0.3002 0.1207 ( 2030 PWs) bands (ev): -18.7981 -18.7981 -18.7799 -18.7799 -17.7621 -17.7621 -17.7459 -17.7459 -17.7349 -17.7349 -2.3891 -2.3891 1.8131 1.8131 4.5163 4.5163 5.5502 5.5502 8.9422 8.9422 10.0047 10.0047 k = 0.5691 0.2901 0.1207 ( 2030 PWs) bands (ev): -18.7981 -18.7981 -18.7799 -18.7799 -17.7621 -17.7621 -17.7459 -17.7459 -17.7350 -17.7350 -2.3857 -2.3857 1.8364 1.8364 4.4450 4.4450 5.4670 5.4670 9.0759 9.0759 10.0887 10.0887 k = 0.5768 0.2800 0.1207 ( 2032 PWs) bands (ev): -18.7981 -18.7981 -18.7800 -18.7800 -17.7620 -17.7620 -17.7459 -17.7459 -17.7351 -17.7351 -2.3822 -2.3822 1.8623 1.8623 4.3713 4.3713 5.3788 5.3788 9.2190 9.2190 10.1777 10.1777 k = 0.5844 0.2699 0.1207 ( 2036 PWs) bands (ev): -18.7980 -18.7980 -18.7800 -18.7800 -17.7618 -17.7618 -17.7459 -17.7459 -17.7352 -17.7352 -2.3785 -2.3785 1.8909 1.8909 4.2962 4.2962 5.2866 5.2866 9.3701 9.3701 10.2705 10.2705 k = 0.5921 0.2599 0.1207 ( 2038 PWs) bands (ev): -18.7980 -18.7980 -18.7801 -18.7801 -17.7617 -17.7617 -17.7459 -17.7459 -17.7354 -17.7354 -2.3747 -2.3747 1.9221 1.9221 4.2207 4.2207 5.1912 5.1912 9.5283 9.5283 10.3664 10.3664 k = 0.5998 0.2498 0.1207 ( 2040 PWs) bands (ev): -18.7979 -18.7979 -18.7801 -18.7801 -17.7616 -17.7616 -17.7459 -17.7459 -17.7355 -17.7355 -2.3709 -2.3709 1.9558 1.9558 4.1455 4.1455 5.0934 5.0934 9.6926 9.6926 10.4646 10.4646 k = 0.6075 0.2397 0.1207 ( 2042 PWs) bands (ev): -18.7979 -18.7979 -18.7802 -18.7802 -17.7615 -17.7615 -17.7459 -17.7459 -17.7357 -17.7357 -2.3672 -2.3672 1.9921 1.9921 4.0714 4.0714 4.9938 4.9938 9.8619 9.8619 10.5646 10.5646 k = 0.6151 0.2296 0.1207 ( 2040 PWs) bands (ev): -18.7978 -18.7978 -18.7803 -18.7803 -17.7613 -17.7613 -17.7460 -17.7460 -17.7359 -17.7359 -2.3637 -2.3637 2.0308 2.0308 3.9990 3.9990 4.8930 4.8930 10.0354 10.0354 10.6658 10.6658 k = 0.6228 0.2195 0.1207 ( 2044 PWs) bands (ev): -18.7978 -18.7978 -18.7803 -18.7803 -17.7612 -17.7612 -17.7460 -17.7460 -17.7361 -17.7361 -2.3604 -2.3604 2.0719 2.0719 3.9290 3.9290 4.7916 4.7916 10.2120 10.2120 10.7682 10.7682 k = 0.6305 0.2095 0.1207 ( 2042 PWs) bands (ev): -18.7977 -18.7977 -18.7804 -18.7804 -17.7611 -17.7611 -17.7460 -17.7460 -17.7362 -17.7362 -2.3575 -2.3575 2.1152 2.1152 3.8617 3.8617 4.6900 4.6900 10.3906 10.3906 10.8716 10.8716 k = 0.6382 0.1994 0.1207 ( 2038 PWs) bands (ev): -18.7977 -18.7977 -18.7805 -18.7805 -17.7609 -17.7609 -17.7460 -17.7460 -17.7364 -17.7364 -2.3550 -2.3550 2.1608 2.1608 3.7977 3.7977 4.5887 4.5887 10.5698 10.5698 10.9764 10.9764 k = 0.6459 0.1893 0.1207 ( 2040 PWs) bands (ev): -18.7976 -18.7976 -18.7806 -18.7806 -17.7608 -17.7608 -17.7461 -17.7461 -17.7366 -17.7366 -2.3529 -2.3529 2.2084 2.2084 3.7373 3.7373 4.4881 4.4881 10.7475 10.7475 11.0836 11.0836 k = 0.6535 0.1792 0.1207 ( 2042 PWs) bands (ev): -18.7975 -18.7975 -18.7807 -18.7807 -17.7606 -17.7606 -17.7461 -17.7461 -17.7368 -17.7368 -2.3515 -2.3515 2.2580 2.2580 3.6808 3.6808 4.3887 4.3887 10.9205 10.9205 11.1955 11.1955 k = 0.6612 0.1691 0.1207 ( 2046 PWs) bands (ev): -18.7975 -18.7975 -18.7808 -18.7808 -17.7604 -17.7604 -17.7461 -17.7461 -17.7370 -17.7370 -2.3507 -2.3507 2.3091 2.3091 3.6286 3.6286 4.2909 4.2909 11.0835 11.0835 11.3163 11.3163 k = 0.6689 0.1591 0.1207 ( 2044 PWs) bands (ev): -18.7974 -18.7974 -18.7809 -18.7809 -17.7603 -17.7603 -17.7462 -17.7462 -17.7372 -17.7372 -2.3507 -2.3507 2.3617 2.3617 3.5809 3.5809 4.1953 4.1953 11.2298 11.2298 11.4513 11.4513 k = 0.6766 0.1490 0.1207 ( 2050 PWs) bands (ev): -18.7973 -18.7973 -18.7810 -18.7810 -17.7601 -17.7601 -17.7462 -17.7462 -17.7374 -17.7374 -2.3515 -2.3515 2.4153 2.4153 3.5379 3.5379 4.1025 4.1025 11.3572 11.3572 11.6018 11.6018 k = 0.6842 0.1389 0.1207 ( 2050 PWs) bands (ev): -18.7973 -18.7973 -18.7811 -18.7811 -17.7600 -17.7600 -17.7463 -17.7463 -17.7376 -17.7376 -2.3532 -2.3532 2.4694 2.4694 3.4999 3.4999 4.0130 4.0130 11.4696 11.4696 11.7622 11.7622 k = 0.6919 0.1288 0.1207 ( 2056 PWs) bands (ev): -18.7972 -18.7972 -18.7812 -18.7812 -17.7598 -17.7598 -17.7463 -17.7463 -17.7378 -17.7378 -2.3558 -2.3558 2.5234 2.5234 3.4668 3.4668 3.9278 3.9278 11.5726 11.5726 11.9254 11.9254 k = 0.6996 0.1188 0.1207 ( 2056 PWs) bands (ev): -18.7971 -18.7971 -18.7813 -18.7813 -17.7596 -17.7596 -17.7464 -17.7464 -17.7380 -17.7380 -2.3594 -2.3594 2.5762 2.5762 3.4387 3.4387 3.8481 3.8481 11.6694 11.6694 12.0862 12.0862 k = 0.7073 0.1087 0.1207 ( 2048 PWs) bands (ev): -18.7971 -18.7971 -18.7815 -18.7815 -17.7595 -17.7595 -17.7465 -17.7465 -17.7381 -17.7381 -2.3640 -2.3640 2.6264 2.6264 3.4158 3.4158 3.7754 3.7754 11.7615 11.7615 12.2409 12.2409 k = 0.7149 0.0986 0.1207 ( 2048 PWs) bands (ev): -18.7970 -18.7970 -18.7816 -18.7816 -17.7593 -17.7593 -17.7466 -17.7466 -17.7383 -17.7383 -2.3697 -2.3697 2.6723 2.6723 3.3978 3.3978 3.7120 3.7120 11.8494 11.8494 12.3862 12.3862 k = 0.7226 0.0885 0.1207 ( 2048 PWs) bands (ev): -18.7969 -18.7969 -18.7817 -18.7817 -17.7592 -17.7592 -17.7467 -17.7467 -17.7384 -17.7384 -2.3765 -2.3765 2.7113 2.7113 3.3847 3.3847 3.6605 3.6605 11.9330 11.9330 12.5193 12.5193 k = 0.7303 0.0784 0.1207 ( 2046 PWs) bands (ev): -18.7969 -18.7969 -18.7818 -18.7818 -17.7590 -17.7590 -17.7468 -17.7468 -17.7386 -17.7386 -2.3843 -2.3843 2.7402 2.7402 3.3766 3.3766 3.6240 3.6240 12.0116 12.0116 12.6369 12.6369 k = 0.2697-0.3541 0.5966 ( 2046 PWs) bands (ev): -18.7969 -18.7969 -18.7818 -18.7818 -17.7590 -17.7590 -17.7468 -17.7468 -17.7386 -17.7386 -2.3843 -2.3843 2.7402 2.7402 3.3766 3.3766 3.6240 3.6240 12.0116 12.0116 12.6369 12.6369 k = 0.2620-0.3440 0.5966 ( 2048 PWs) bands (ev): -18.7968 -18.7968 -18.7819 -18.7819 -17.7589 -17.7589 -17.7469 -17.7469 -17.7387 -17.7387 -2.3932 -2.3932 2.7558 2.7558 3.3741 3.3741 3.6054 3.6054 12.0846 12.0846 12.7363 12.7363 k = 0.2543-0.3339 0.5966 ( 2050 PWs) bands (ev): -18.7968 -18.7968 -18.7821 -18.7821 -17.7588 -17.7588 -17.7470 -17.7470 -17.7388 -17.7388 -2.4032 -2.4032 2.7556 2.7556 3.3781 3.3781 3.6061 3.6061 12.1504 12.1504 12.8134 12.8134 k = 0.2466-0.3238 0.5966 ( 2056 PWs) bands (ev): -18.7967 -18.7967 -18.7822 -18.7822 -17.7586 -17.7586 -17.7472 -17.7472 -17.7390 -17.7390 -2.4142 -2.4142 2.7396 2.7396 3.3894 3.3894 3.6257 3.6257 12.2070 12.2070 12.8650 12.8650 k = 0.2389-0.3137 0.5966 ( 2060 PWs) bands (ev): -18.7966 -18.7966 -18.7823 -18.7823 -17.7585 -17.7585 -17.7473 -17.7473 -17.7390 -17.7390 -2.4261 -2.4261 2.7095 2.7095 3.4079 3.4079 3.6623 3.6623 12.2524 12.2524 12.8884 12.8884 k = 0.2312-0.3035 0.5966 ( 2060 PWs) bands (ev): -18.7966 -18.7966 -18.7825 -18.7825 -17.7584 -17.7584 -17.7475 -17.7475 -17.7391 -17.7391 -2.4390 -2.4390 2.6687 2.6687 3.4328 3.4328 3.7133 3.7133 12.2840 12.2840 12.8821 12.8821 k = 0.2235-0.2934 0.5966 ( 2064 PWs) bands (ev): -18.7965 -18.7965 -18.7826 -18.7826 -17.7583 -17.7583 -17.7477 -17.7477 -17.7392 -17.7392 -2.4526 -2.4526 2.6203 2.6203 3.4636 3.4636 3.7760 3.7760 12.2992 12.2992 12.8462 12.8462 k = 0.2158-0.2833 0.5966 ( 2064 PWs) bands (ev): -18.7965 -18.7965 -18.7827 -18.7827 -17.7582 -17.7582 -17.7479 -17.7479 -17.7393 -17.7393 -2.4671 -2.4671 2.5671 2.5671 3.4998 3.4998 3.8480 3.8480 12.2955 12.2955 12.7827 12.7827 k = 0.2081-0.2732 0.5966 ( 2064 PWs) bands (ev): -18.7964 -18.7964 -18.7828 -18.7828 -17.7580 -17.7580 -17.7480 -17.7480 -17.7393 -17.7393 -2.4822 -2.4822 2.5110 2.5110 3.5411 3.5411 3.9274 3.9274 12.2710 12.2710 12.6953 12.6953 k = 0.2004-0.2631 0.5966 ( 2062 PWs) bands (ev): -18.7964 -18.7964 -18.7830 -18.7830 -17.7580 -17.7580 -17.7482 -17.7482 -17.7393 -17.7393 -2.4978 -2.4978 2.4535 2.4535 3.5875 3.5875 4.0128 4.0128 12.2244 12.2244 12.5890 12.5890 k = 0.1926-0.2529 0.5966 ( 2062 PWs) bands (ev): -18.7963 -18.7963 -18.7831 -18.7831 -17.7579 -17.7579 -17.7484 -17.7484 -17.7394 -17.7394 -2.5140 -2.5140 2.3956 2.3956 3.6386 3.6386 4.1030 4.1030 12.1545 12.1545 12.4699 12.4699 k = 0.1849-0.2428 0.5966 ( 2062 PWs) bands (ev): -18.7963 -18.7963 -18.7832 -18.7832 -17.7578 -17.7578 -17.7486 -17.7486 -17.7394 -17.7394 -2.5305 -2.5305 2.3381 2.3381 3.6945 3.6945 4.1972 4.1972 12.0605 12.0605 12.3444 12.3444 k = 0.1772-0.2327 0.5966 ( 2062 PWs) bands (ev): -18.7963 -18.7963 -18.7833 -18.7833 -17.7577 -17.7577 -17.7488 -17.7488 -17.7394 -17.7394 -2.5474 -2.5474 2.2814 2.2814 3.7548 3.7548 4.2948 4.2948 11.9425 11.9425 12.2180 12.2180 k = 0.1695-0.2226 0.5966 ( 2062 PWs) bands (ev): -18.7962 -18.7962 -18.7835 -18.7835 -17.7576 -17.7576 -17.7490 -17.7490 -17.7394 -17.7394 -2.5644 -2.5644 2.2260 2.2260 3.8195 3.8195 4.3953 4.3953 11.8029 11.8029 12.0933 12.0933 k = 0.1618-0.2125 0.5966 ( 2066 PWs) bands (ev): -18.7962 -18.7962 -18.7836 -18.7836 -17.7576 -17.7576 -17.7492 -17.7492 -17.7394 -17.7394 -2.5814 -2.5814 2.1722 2.1722 3.8883 3.8883 4.4981 4.4981 11.6468 11.6468 11.9697 11.9697 k = 0.1541-0.2024 0.5966 ( 2066 PWs) bands (ev): -18.7962 -18.7962 -18.7837 -18.7837 -17.7575 -17.7575 -17.7494 -17.7494 -17.7393 -17.7393 -2.5985 -2.5985 2.1201 2.1201 3.9609 3.9609 4.6029 4.6029 11.4793 11.4793 11.8457 11.8457 k = 0.1464-0.1922 0.5966 ( 2062 PWs) bands (ev): -18.7961 -18.7961 -18.7838 -18.7838 -17.7575 -17.7575 -17.7496 -17.7496 -17.7393 -17.7393 -2.6154 -2.6154 2.0701 2.0701 4.0372 4.0372 4.7094 4.7094 11.3048 11.3048 11.7202 11.7202 k = 0.1387-0.1821 0.5966 ( 2064 PWs) bands (ev): -18.7961 -18.7961 -18.7839 -18.7839 -17.7574 -17.7574 -17.7498 -17.7498 -17.7393 -17.7393 -2.6320 -2.6320 2.0221 2.0221 4.1167 4.1167 4.8171 4.8171 11.1262 11.1262 11.5929 11.5929 k = 0.1310-0.1720 0.5966 ( 2068 PWs) bands (ev): -18.7961 -18.7961 -18.7840 -18.7840 -17.7574 -17.7574 -17.7500 -17.7500 -17.7393 -17.7393 -2.6483 -2.6483 1.9763 1.9763 4.1992 4.1992 4.9257 4.9257 10.9460 10.9460 11.4640 11.4640 k = 0.1233-0.1619 0.5966 ( 2070 PWs) bands (ev): -18.7961 -18.7961 -18.7841 -18.7841 -17.7573 -17.7573 -17.7502 -17.7502 -17.7392 -17.7392 -2.6642 -2.6642 1.9328 1.9328 4.2842 4.2842 5.0348 5.0348 10.7656 10.7656 11.3339 11.3339 k = 0.1156-0.1518 0.5966 ( 2078 PWs) bands (ev): -18.7960 -18.7960 -18.7842 -18.7842 -17.7573 -17.7573 -17.7503 -17.7503 -17.7392 -17.7392 -2.6796 -2.6796 1.8917 1.8917 4.3714 4.3714 5.1440 5.1440 10.5865 10.5865 11.2032 11.2032 k = 0.1079-0.1416 0.5966 ( 2078 PWs) bands (ev): -18.7960 -18.7960 -18.7843 -18.7843 -17.7573 -17.7573 -17.7505 -17.7505 -17.7392 -17.7392 -2.6944 -2.6944 1.8531 1.8531 4.4602 4.4602 5.2529 5.2529 10.4099 10.4099 11.0728 11.0728 k = 0.1002-0.1315 0.5966 ( 2076 PWs) bands (ev): -18.7960 -18.7960 -18.7843 -18.7843 -17.7573 -17.7573 -17.7507 -17.7507 -17.7391 -17.7391 -2.7085 -2.7085 1.8169 1.8169 4.5501 4.5501 5.3608 5.3608 10.2368 10.2368 10.9435 10.9435 k = 0.0925-0.1214 0.5966 ( 2072 PWs) bands (ev): -18.7960 -18.7960 -18.7844 -18.7844 -17.7573 -17.7573 -17.7508 -17.7508 -17.7391 -17.7391 -2.7219 -2.7219 1.7833 1.7833 4.6404 4.6404 5.4673 5.4673 10.0682 10.0682 10.8161 10.8161 k = 0.0848-0.1113 0.5966 ( 2072 PWs) bands (ev): -18.7960 -18.7960 -18.7845 -18.7845 -17.7573 -17.7573 -17.7509 -17.7509 -17.7391 -17.7391 -2.7344 -2.7344 1.7523 1.7523 4.7304 4.7304 5.5716 5.5716 9.9051 9.9051 10.6917 10.6917 k = 0.0771-0.1012 0.5966 ( 2070 PWs) bands (ev): -18.7960 -18.7960 -18.7846 -18.7846 -17.7573 -17.7573 -17.7510 -17.7510 -17.7390 -17.7390 -2.7461 -2.7461 1.7238 1.7238 4.8193 4.8193 5.6729 5.6729 9.7487 9.7487 10.5714 10.5714 k = 0.0694-0.0911 0.5966 ( 2070 PWs) bands (ev): -18.7959 -18.7959 -18.7846 -18.7846 -17.7573 -17.7573 -17.7511 -17.7511 -17.7390 -17.7390 -2.7568 -2.7568 1.6981 1.6981 4.9061 4.9061 5.7705 5.7705 9.6001 9.6001 10.4562 10.4562 k = 0.0616-0.0809 0.5966 ( 2072 PWs) bands (ev): -18.7959 -18.7959 -18.7847 -18.7847 -17.7573 -17.7573 -17.7512 -17.7512 -17.7390 -17.7390 -2.7666 -2.7666 1.6749 1.6749 4.9896 4.9896 5.8632 5.8632 9.4606 9.4606 10.3474 10.3474 k = 0.0539-0.0708 0.5966 ( 2074 PWs) bands (ev): -18.7959 -18.7959 -18.7847 -18.7847 -17.7573 -17.7573 -17.7513 -17.7513 -17.7389 -17.7389 -2.7753 -2.7753 1.6545 1.6545 5.0686 5.0686 5.9500 5.9500 9.3315 9.3315 10.2464 10.2464 k = 0.0462-0.0607 0.5966 ( 2076 PWs) bands (ev): -18.7959 -18.7959 -18.7848 -18.7848 -17.7573 -17.7573 -17.7514 -17.7514 -17.7389 -17.7389 -2.7829 -2.7829 1.6367 1.6367 5.1417 5.1417 6.0295 6.0295 9.2144 9.2144 10.1546 10.1546 k = 0.0385-0.0506 0.5966 ( 2078 PWs) bands (ev): -18.7959 -18.7959 -18.7848 -18.7848 -17.7573 -17.7573 -17.7515 -17.7515 -17.7389 -17.7389 -2.7894 -2.7894 1.6217 1.6217 5.2074 5.2074 6.1004 6.1004 9.1110 9.1110 10.0734 10.0734 k = 0.0308-0.0405 0.5966 ( 2074 PWs) bands (ev): -18.7959 -18.7959 -18.7848 -18.7848 -17.7573 -17.7573 -17.7515 -17.7515 -17.7389 -17.7389 -2.7947 -2.7947 1.6093 1.6093 5.2641 5.2641 6.1612 6.1612 9.0230 9.0230 10.0044 10.0044 k = 0.0231-0.0304 0.5966 ( 2074 PWs) bands (ev): -18.7959 -18.7959 -18.7849 -18.7849 -17.7573 -17.7573 -17.7515 -17.7515 -17.7389 -17.7389 -2.7989 -2.7989 1.5997 1.5997 5.3103 5.3103 6.2104 6.2104 8.9521 8.9521 9.9489 9.9489 k = 0.0154-0.0202 0.5966 ( 2070 PWs) bands (ev): -18.7959 -18.7959 -18.7849 -18.7849 -17.7573 -17.7573 -17.7516 -17.7516 -17.7389 -17.7389 -2.8019 -2.8019 1.5929 1.5929 5.3445 5.3445 6.2467 6.2467 8.9002 8.9002 9.9082 9.9082 k = 0.0077-0.0101 0.5966 ( 2074 PWs) bands (ev): -18.7959 -18.7959 -18.7849 -18.7849 -17.7573 -17.7573 -17.7516 -17.7516 -17.7389 -17.7389 -2.8038 -2.8038 1.5888 1.5888 5.3655 5.3655 6.2690 6.2690 8.8684 8.8684 9.8834 9.8834 k = 0.0000 0.0000 0.5966 ( 2074 PWs) bands (ev): -18.7959 -18.7959 -18.7849 -18.7849 -17.7573 -17.7573 -17.7516 -17.7516 -17.7388 -17.7388 -2.8044 -2.8044 1.5874 1.5874 5.3726 5.3726 6.2765 6.2765 8.8576 8.8576 9.8751 9.8751 k = 0.0000 0.0000 0.5966 ( 2074 PWs) bands (ev): -18.7959 -18.7959 -18.7849 -18.7849 -17.7573 -17.7573 -17.7516 -17.7516 -17.7388 -17.7388 -2.8044 -2.8044 1.5874 1.5874 5.3726 5.3726 6.2765 6.2765 8.8576 8.8576 9.8751 9.8751 k = 0.0102 0.0077 0.5966 ( 2074 PWs) bands (ev): -18.7959 -18.7959 -18.7849 -18.7849 -17.7573 -17.7573 -17.7516 -17.7516 -17.7389 -17.7389 -2.8035 -2.8035 1.5888 1.5888 5.3686 5.3686 6.2690 6.2690 8.8666 8.8666 9.8818 9.8818 k = 0.0203 0.0155 0.5966 ( 2073 PWs) bands (ev): -18.7959 -18.7959 -18.7849 -18.7849 -17.7573 -17.7573 -17.7515 -17.7515 -17.7389 -17.7389 -2.8009 -2.8009 1.5929 1.5929 5.3568 5.3568 6.2470 6.2470 8.8933 8.8933 9.9020 9.9020 k = 0.0305 0.0232 0.5966 ( 2071 PWs) bands (ev): -18.7959 -18.7959 -18.7848 -18.7848 -17.7573 -17.7573 -17.7515 -17.7515 -17.7389 -17.7389 -2.7966 -2.7966 1.5998 1.5998 5.3373 5.3373 6.2112 6.2112 8.9364 8.9364 9.9355 9.9355 k = 0.0407 0.0310 0.5966 ( 2070 PWs) bands (ev): -18.7959 -18.7959 -18.7848 -18.7848 -17.7573 -17.7573 -17.7514 -17.7514 -17.7389 -17.7389 -2.7906 -2.7906 1.6094 1.6094 5.3105 5.3105 6.1632 6.1632 8.9945 8.9945 9.9818 9.9818 k = 0.0509 0.0387 0.5966 ( 2068 PWs) bands (ev): -18.7959 -18.7959 -18.7848 -18.7848 -17.7572 -17.7572 -17.7513 -17.7513 -17.7390 -17.7390 -2.7829 -2.7829 1.6218 1.6218 5.2769 5.2769 6.1044 6.1044 9.0655 9.0655 10.0405 10.0405 k = 0.0610 0.0465 0.5966 ( 2070 PWs) bands (ev): -18.7958 -18.7958 -18.7847 -18.7847 -17.7572 -17.7572 -17.7511 -17.7511 -17.7390 -17.7390 -2.7735 -2.7735 1.6368 1.6368 5.2371 5.2371 6.0367 6.0367 9.1472 9.1472 10.1110 10.1110 k = 0.0712 0.0542 0.5966 ( 2072 PWs) bands (ev): -18.7958 -18.7958 -18.7847 -18.7847 -17.7572 -17.7572 -17.7510 -17.7510 -17.7391 -17.7391 -2.7625 -2.7625 1.6547 1.6547 5.1916 5.1916 5.9616 5.9616 9.2371 9.2371 10.1927 10.1927 k = 0.0814 0.0620 0.5966 ( 2072 PWs) bands (ev): -18.7958 -18.7958 -18.7846 -18.7846 -17.7572 -17.7572 -17.7508 -17.7508 -17.7392 -17.7392 -2.7498 -2.7498 1.6752 1.6752 5.1410 5.1410 5.8806 5.8806 9.3328 9.3328 10.2849 10.2849 k = 0.0916 0.0697 0.5966 ( 2074 PWs) bands (ev): -18.7958 -18.7958 -18.7845 -18.7845 -17.7571 -17.7571 -17.7506 -17.7506 -17.7393 -17.7393 -2.7355 -2.7355 1.6984 1.6984 5.0862 5.0862 5.7950 5.7950 9.4313 9.4313 10.3870 10.3870 k = 0.1017 0.0775 0.5966 ( 2072 PWs) bands (ev): -18.7958 -18.7958 -18.7844 -18.7844 -17.7571 -17.7571 -17.7504 -17.7504 -17.7393 -17.7393 -2.7197 -2.7197 1.7243 1.7243 5.0275 5.0275 5.7058 5.7058 9.5291 9.5291 10.4983 10.4983 k = 0.1119 0.0852 0.5966 ( 2074 PWs) bands (ev): -18.7957 -18.7957 -18.7844 -18.7844 -17.7571 -17.7571 -17.7502 -17.7502 -17.7394 -17.7394 -2.7023 -2.7023 1.7528 1.7528 4.9657 4.9657 5.6140 5.6140 9.6222 9.6222 10.6182 10.6182 k = 0.1221 0.0930 0.5966 ( 2072 PWs) bands (ev): -18.7957 -18.7957 -18.7843 -18.7843 -17.7570 -17.7570 -17.7499 -17.7499 -17.7395 -17.7395 -2.6834 -2.6834 1.7840 1.7840 4.9014 4.9014 5.5204 5.5204 9.7049 9.7049 10.7459 10.7459 k = 0.1323 0.1007 0.5966 ( 2072 PWs) bands (ev): -18.7957 -18.7957 -18.7842 -18.7842 -17.7570 -17.7570 -17.7497 -17.7497 -17.7396 -17.7396 -2.6631 -2.6631 1.8178 1.8178 4.8349 4.8349 5.4257 5.4257 9.7705 9.7705 10.8809 10.8809 k = 0.1424 0.1085 0.5966 ( 2072 PWs) bands (ev): -18.7956 -18.7956 -18.7840 -18.7840 -17.7569 -17.7569 -17.7494 -17.7494 -17.7397 -17.7397 -2.6414 -2.6414 1.8542 1.8542 4.7669 4.7669 5.3302 5.3302 9.8110 9.8110 11.0224 11.0224 k = 0.1526 0.1162 0.5966 ( 2072 PWs) bands (ev): -18.7956 -18.7956 -18.7839 -18.7839 -17.7569 -17.7569 -17.7492 -17.7492 -17.7397 -17.7397 -2.6184 -2.6184 1.8931 1.8931 4.6977 4.6977 5.2346 5.2346 9.8192 9.8192 11.1693 11.1693 k = 0.1628 0.1240 0.5966 ( 2066 PWs) bands (ev): -18.7956 -18.7956 -18.7838 -18.7838 -17.7569 -17.7569 -17.7489 -17.7489 -17.7398 -17.7398 -2.5941 -2.5941 1.9345 1.9345 4.6278 4.6278 5.1391 5.1391 9.7915 9.7915 11.3189 11.3189 k = 0.1730 0.1317 0.5966 ( 2066 PWs) bands (ev): -18.7956 -18.7956 -18.7837 -18.7837 -17.7568 -17.7568 -17.7487 -17.7487 -17.7398 -17.7398 -2.5686 -2.5686 1.9784 1.9784 4.5574 4.5574 5.0442 5.0442 9.7299 9.7299 11.4563 11.4563 k = 0.1831 0.1395 0.5966 ( 2070 PWs) bands (ev): -18.7955 -18.7955 -18.7836 -18.7836 -17.7568 -17.7568 -17.7484 -17.7484 -17.7398 -17.7398 -2.5420 -2.5420 2.0247 2.0247 4.4869 4.4869 4.9500 4.9500 9.6409 9.6409 11.5557 11.5557 k = 0.1933 0.1472 0.5966 ( 2061 PWs) bands (ev): -18.7955 -18.7955 -18.7834 -18.7834 -17.7567 -17.7567 -17.7482 -17.7482 -17.7398 -17.7398 -2.5143 -2.5143 2.0734 2.0734 4.4165 4.4165 4.8569 4.8569 9.5321 9.5321 11.6535 11.6535 k = 0.2035 0.1550 0.5966 ( 2061 PWs) bands (ev): -18.7955 -18.7955 -18.7833 -18.7833 -17.7567 -17.7567 -17.7480 -17.7480 -17.7398 -17.7398 -2.4857 -2.4857 2.1244 2.1244 4.3465 4.3465 4.7651 4.7651 9.4105 9.4105 11.7607 11.7607 k = 0.2136 0.1627 0.5966 ( 2060 PWs) bands (ev): -18.7954 -18.7954 -18.7831 -18.7831 -17.7567 -17.7567 -17.7478 -17.7478 -17.7397 -17.7397 -2.4563 -2.4563 2.1776 2.1776 4.2770 4.2770 4.6748 4.6748 9.2812 9.2812 11.8706 11.8706 k = 0.2238 0.1705 0.5966 ( 2055 PWs) bands (ev): -18.7954 -18.7954 -18.7830 -18.7830 -17.7566 -17.7566 -17.7477 -17.7477 -17.7396 -17.7396 -2.4261 -2.4261 2.2329 2.2329 4.2082 4.2082 4.5863 4.5863 9.1482 9.1482 11.9728 11.9728 k = 0.2340 0.1782 0.5966 ( 2055 PWs) bands (ev): -18.7954 -18.7954 -18.7829 -18.7829 -17.7566 -17.7566 -17.7476 -17.7476 -17.7395 -17.7395 -2.3953 -2.3953 2.2902 2.2902 4.1404 4.1404 4.4997 4.4997 9.0141 9.0141 12.0536 12.0536 k = 0.2442 0.1860 0.5966 ( 2051 PWs) bands (ev): -18.7954 -18.7954 -18.7827 -18.7827 -17.7565 -17.7565 -17.7475 -17.7475 -17.7393 -17.7393 -2.3640 -2.3640 2.3495 2.3495 4.0735 4.0735 4.4154 4.4154 8.8809 8.8809 12.0966 12.0966 k = 0.2543 0.1937 0.5966 ( 2053 PWs) bands (ev): -18.7953 -18.7953 -18.7826 -18.7826 -17.7565 -17.7565 -17.7474 -17.7474 -17.7391 -17.7391 -2.3323 -2.3323 2.4104 2.4104 4.0078 4.0078 4.3335 4.3335 8.7499 8.7499 12.0885 12.0885 k = 0.2645 0.2015 0.5966 ( 2051 PWs) bands (ev): -18.7953 -18.7953 -18.7824 -18.7824 -17.7565 -17.7565 -17.7474 -17.7474 -17.7389 -17.7389 -2.3004 -2.3004 2.4729 2.4729 3.9433 3.9433 4.2542 4.2542 8.6221 8.6221 12.0288 12.0288 k = 0.2747 0.2092 0.5966 ( 2051 PWs) bands (ev): -18.7953 -18.7953 -18.7823 -18.7823 -17.7564 -17.7564 -17.7474 -17.7474 -17.7386 -17.7386 -2.2685 -2.2685 2.5367 2.5367 3.8803 3.8803 4.1779 4.1779 8.4985 8.4985 11.9287 11.9287 k = 0.2849 0.2170 0.5966 ( 2049 PWs) bands (ev): -18.7953 -18.7953 -18.7821 -18.7821 -17.7564 -17.7564 -17.7474 -17.7474 -17.7383 -17.7383 -2.2366 -2.2366 2.6014 2.6014 3.8190 3.8190 4.1049 4.1049 8.3795 8.3795 11.8021 11.8021 k = 0.2950 0.2247 0.5966 ( 2051 PWs) bands (ev): -18.7953 -18.7953 -18.7820 -18.7820 -17.7564 -17.7564 -17.7475 -17.7475 -17.7380 -17.7380 -2.2049 -2.2049 2.6666 2.6666 3.7597 3.7597 4.0353 4.0353 8.2657 8.2657 11.6595 11.6595 k = 0.3052 0.2325 0.5966 ( 2053 PWs) bands (ev): -18.7952 -18.7952 -18.7819 -18.7819 -17.7564 -17.7564 -17.7476 -17.7476 -17.7377 -17.7377 -2.1738 -2.1738 2.7316 2.7316 3.7029 3.7029 3.9694 3.9694 8.1574 8.1574 11.5077 11.5077 k = 0.3154 0.2402 0.5966 ( 2047 PWs) bands (ev): -18.7952 -18.7952 -18.7817 -18.7817 -17.7564 -17.7564 -17.7476 -17.7476 -17.7373 -17.7373 -2.1432 -2.1432 2.7955 2.7955 3.6495 3.6495 3.9076 3.9076 8.0551 8.0551 11.3511 11.3511 k = 0.3256 0.2479 0.5966 ( 2045 PWs) bands (ev): -18.7952 -18.7952 -18.7816 -18.7816 -17.7564 -17.7564 -17.7477 -17.7477 -17.7370 -17.7370 -2.1135 -2.1135 2.8568 2.8568 3.6006 3.6006 3.8502 3.8502 7.9589 7.9589 11.1922 11.1922 k = 0.3357 0.2557 0.5966 ( 2048 PWs) bands (ev): -18.7952 -18.7952 -18.7815 -18.7815 -17.7564 -17.7564 -17.7478 -17.7478 -17.7367 -17.7367 -2.0849 -2.0849 2.9134 2.9134 3.5582 3.5582 3.7975 3.7975 7.8692 7.8692 11.0328 11.0328 k = 0.3459 0.2634 0.5966 ( 2046 PWs) bands (ev): -18.7952 -18.7952 -18.7813 -18.7813 -17.7564 -17.7564 -17.7480 -17.7480 -17.7363 -17.7363 -2.0575 -2.0575 2.9621 2.9621 3.5247 3.5247 3.7503 3.7503 7.7862 7.7862 10.8742 10.8742 k = 0.3561 0.2712 0.5966 ( 2049 PWs) bands (ev): -18.7952 -18.7952 -18.7812 -18.7812 -17.7564 -17.7564 -17.7481 -17.7481 -17.7360 -17.7360 -2.0316 -2.0316 2.9990 2.9990 3.5029 3.5029 3.7099 3.7099 7.7099 7.7099 10.7171 10.7171 k = 0.3662 0.2789 0.5966 ( 2049 PWs) bands (ev): -18.7952 -18.7952 -18.7811 -18.7811 -17.7564 -17.7564 -17.7482 -17.7482 -17.7357 -17.7357 -2.0074 -2.0074 3.0201 3.0201 3.4936 3.4936 3.6794 3.6794 7.6407 7.6407 10.5623 10.5623 k = 0.3764 0.2867 0.5966 ( 2046 PWs) bands (ev): -18.7952 -18.7952 -18.7810 -18.7810 -17.7564 -17.7564 -17.7483 -17.7483 -17.7354 -17.7354 -1.9851 -1.9851 3.0244 3.0244 3.4919 3.4919 3.6650 3.6650 7.5786 7.5786 10.4101 10.4101 k = 0.3866 0.2944 0.5966 ( 2050 PWs) bands (ev): -18.7952 -18.7952 -18.7809 -18.7809 -17.7564 -17.7564 -17.7484 -17.7484 -17.7351 -17.7351 -1.9651 -1.9651 3.0142 3.0142 3.4873 3.4873 3.6749 3.6749 7.5238 7.5238 10.2612 10.2612 k = 0.3968 0.3022 0.5966 ( 2050 PWs) bands (ev): -18.7952 -18.7952 -18.7808 -18.7808 -17.7564 -17.7564 -17.7485 -17.7485 -17.7348 -17.7348 -1.9473 -1.9473 2.9942 2.9942 3.4739 3.4739 3.7102 3.7102 7.4764 7.4764 10.1158 10.1158 k = 0.4069 0.3099 0.5966 ( 2050 PWs) bands (ev): -18.7952 -18.7952 -18.7808 -18.7808 -17.7564 -17.7564 -17.7486 -17.7486 -17.7345 -17.7345 -1.9322 -1.9322 2.9686 2.9686 3.4550 3.4550 3.7635 3.7635 7.4365 7.4365 9.9743 9.9743 k = 0.4171 0.3177 0.5966 ( 2046 PWs) bands (ev): -18.7952 -18.7952 -18.7807 -18.7807 -17.7564 -17.7564 -17.7488 -17.7488 -17.7343 -17.7343 -1.9199 -1.9199 2.9406 2.9406 3.4345 3.4345 3.8276 3.8276 7.4041 7.4041 9.8372 9.8372 k = 0.4273 0.3254 0.5966 ( 2049 PWs) bands (ev): -18.7953 -18.7953 -18.7806 -18.7806 -17.7564 -17.7564 -17.7489 -17.7489 -17.7341 -17.7341 -1.9105 -1.9105 2.9125 2.9125 3.4147 3.4147 3.8978 3.8978 7.3794 7.3794 9.7046 9.7046 k = 0.5000 0.3808-0.4759 ( 2048 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7499 -17.7499 -17.7329 -17.7329 -1.8782 -1.8782 2.7549 2.7549 3.2391 3.2391 4.6943 4.6943 7.1774 7.1774 8.2695 8.2695 k = 0.5073 0.3712-0.4759 ( 2048 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7499 -17.7499 -17.7329 -17.7329 -1.8797 -1.8797 2.7559 2.7559 3.2381 3.2381 4.6953 4.6953 7.1833 7.1833 8.2714 8.2714 k = 0.5146 0.3617-0.4759 ( 2044 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7500 -17.7500 -17.7329 -17.7329 -1.8841 -1.8841 2.7588 2.7588 3.2350 3.2350 4.6984 4.6984 7.2010 7.2010 8.2771 8.2771 k = 0.5219 0.3521-0.4759 ( 2042 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7500 -17.7500 -17.7330 -17.7330 -1.8914 -1.8914 2.7637 2.7637 3.2301 3.2301 4.7034 4.7034 7.2301 7.2301 8.2868 8.2868 k = 0.4781-0.6278-0.0000 ( 2042 PWs) bands (ev): -18.7951 -18.7951 -18.7806 -18.7806 -17.7560 -17.7560 -17.7500 -17.7500 -17.7330 -17.7330 -1.8914 -1.8914 2.7637 2.7637 3.2301 3.2301 4.7034 4.7034 7.2301 7.2301 8.2868 8.2868 k = 0.4704-0.6177-0.0000 ( 2046 PWs) bands (ev): -18.7951 -18.7951 -18.7807 -18.7807 -17.7561 -17.7561 -17.7500 -17.7500 -17.7330 -17.7330 -1.9023 -1.9023 2.7709 2.7709 3.2233 3.2233 4.7109 4.7109 7.2729 7.2729 8.3014 8.3014 k = 0.4627-0.6076-0.0000 ( 2050 PWs) bands (ev): -18.7952 -18.7952 -18.7807 -18.7807 -17.7561 -17.7561 -17.7500 -17.7500 -17.7331 -17.7331 -1.9165 -1.9165 2.7800 2.7800 3.2152 3.2152 4.7207 4.7207 7.3273 7.3273 8.3209 8.3209 k = 0.4550-0.5974-0.0000 ( 2050 PWs) bands (ev): -18.7952 -18.7952 -18.7807 -18.7807 -17.7561 -17.7561 -17.7500 -17.7500 -17.7332 -17.7332 -1.9338 -1.9338 2.7911 2.7911 3.2067 3.2067 4.7327 4.7327 7.3923 7.3923 8.3456 8.3456 k = 0.4473-0.5873-0.0000 ( 2052 PWs) bands (ev): -18.7952 -18.7952 -18.7808 -18.7808 -17.7561 -17.7561 -17.7500 -17.7500 -17.7333 -17.7333 -1.9544 -1.9544 2.8038 2.8038 3.1982 3.1982 4.7471 4.7471 7.4668 7.4668 8.3762 8.3762 k = 0.4396-0.5772-0.0000 ( 2054 PWs) bands (ev): -18.7953 -18.7953 -18.7808 -18.7808 -17.7561 -17.7561 -17.7500 -17.7500 -17.7335 -17.7335 -1.9780 -1.9780 2.8179 2.8179 3.1908 3.1908 4.7637 4.7637 7.5492 7.5492 8.4133 8.4133 k = 0.4319-0.5670-0.0000 ( 2054 PWs) bands (ev): -18.7953 -18.7953 -18.7809 -18.7809 -17.7561 -17.7561 -17.7500 -17.7500 -17.7336 -17.7336 -2.0048 -2.0048 2.8332 2.8332 3.1853 3.1853 4.7827 4.7827 7.6379 7.6379 8.4579 8.4579 k = 0.4242-0.5569-0.0000 ( 2054 PWs) bands (ev): -18.7953 -18.7953 -18.7809 -18.7809 -17.7561 -17.7561 -17.7500 -17.7500 -17.7338 -17.7338 -2.0345 -2.0345 2.8494 2.8494 3.1824 3.1824 4.8039 4.8039 7.7308 7.7308 8.5115 8.5115 k = 0.4165-0.5468-0.0000 ( 2058 PWs) bands (ev): -18.7954 -18.7954 -18.7810 -18.7810 -17.7561 -17.7561 -17.7500 -17.7500 -17.7340 -17.7340 -2.0671 -2.0671 2.8659 2.8659 3.1833 3.1833 4.8274 4.8274 7.8257 7.8257 8.5756 8.5756 k = 0.4087-0.5367-0.0000 ( 2050 PWs) bands (ev): -18.7955 -18.7955 -18.7811 -18.7811 -17.7562 -17.7562 -17.7501 -17.7501 -17.7342 -17.7342 -2.1025 -2.1025 2.8826 2.8826 3.1886 3.1886 4.8531 4.8531 7.9202 7.9202 8.6519 8.6519 k = 0.4010-0.5265-0.0000 ( 2048 PWs) bands (ev): -18.7955 -18.7955 -18.7811 -18.7811 -17.7562 -17.7562 -17.7501 -17.7501 -17.7344 -17.7344 -2.1407 -2.1407 2.8991 2.8991 3.1990 3.1990 4.8810 4.8810 8.0121 8.0121 8.7419 8.7419 k = 0.3933-0.5164-0.0000 ( 2046 PWs) bands (ev): -18.7956 -18.7956 -18.7812 -18.7812 -17.7562 -17.7562 -17.7501 -17.7501 -17.7346 -17.7346 -2.1814 -2.1814 2.9155 2.9155 3.2150 3.2150 4.9111 4.9111 8.0999 8.0999 8.8467 8.8467 k = 0.3856-0.5063-0.0000 ( 2046 PWs) bands (ev): -18.7957 -18.7957 -18.7813 -18.7813 -17.7563 -17.7563 -17.7501 -17.7501 -17.7348 -17.7348 -2.2246 -2.2246 2.9319 2.9319 3.2368 3.2368 4.9434 4.9434 8.1827 8.1827 8.9663 8.9663 k = 0.3779-0.4962-0.0000 ( 2050 PWs) bands (ev): -18.7957 -18.7957 -18.7814 -18.7814 -17.7563 -17.7563 -17.7502 -17.7502 -17.7351 -17.7351 -2.2701 -2.2701 2.9487 2.9487 3.2641 3.2641 4.9778 4.9778 8.2608 8.2608 9.1002 9.1002 k = 0.3702-0.4860-0.0000 ( 2052 PWs) bands (ev): -18.7958 -18.7958 -18.7815 -18.7815 -17.7564 -17.7564 -17.7502 -17.7502 -17.7353 -17.7353 -2.3177 -2.3177 2.9664 2.9664 3.2967 3.2967 5.0142 5.0142 8.3349 8.3349 9.2468 9.2468 k = 0.3625-0.4759-0.0000 ( 2052 PWs) bands (ev): -18.7959 -18.7959 -18.7816 -18.7816 -17.7564 -17.7564 -17.7502 -17.7502 -17.7356 -17.7356 -2.3673 -2.3673 2.9857 2.9857 3.3342 3.3342 5.0527 5.0527 8.4062 8.4062 9.4047 9.4047 k = 0.3548-0.4658-0.0000 ( 2052 PWs) bands (ev): -18.7960 -18.7960 -18.7817 -18.7817 -17.7565 -17.7565 -17.7503 -17.7503 -17.7359 -17.7359 -2.4187 -2.4187 3.0071 3.0071 3.3761 3.3761 5.0932 5.0932 8.4756 8.4756 9.5721 9.5721 k = 0.3470-0.4557-0.0000 ( 2048 PWs) bands (ev): -18.7961 -18.7961 -18.7819 -18.7819 -17.7565 -17.7565 -17.7503 -17.7503 -17.7361 -17.7361 -2.4717 -2.4717 3.0310 3.0310 3.4221 3.4221 5.1355 5.1355 8.5443 8.5443 9.7476 9.7476 k = 0.3393-0.4455-0.0000 ( 2048 PWs) bands (ev): -18.7962 -18.7962 -18.7820 -18.7820 -17.7566 -17.7566 -17.7503 -17.7503 -17.7364 -17.7364 -2.5262 -2.5262 3.0578 3.0578 3.4719 3.4719 5.1797 5.1797 8.6128 8.6128 9.9299 9.9299 k = 0.3316-0.4354-0.0000 ( 2048 PWs) bands (ev): -18.7963 -18.7963 -18.7821 -18.7821 -17.7567 -17.7567 -17.7504 -17.7504 -17.7367 -17.7367 -2.5820 -2.5820 3.0878 3.0878 3.5251 3.5251 5.2257 5.2257 8.6819 8.6819 10.1176 10.1176 k = 0.3239-0.4253-0.0000 ( 2046 PWs) bands (ev): -18.7964 -18.7964 -18.7822 -18.7822 -17.7568 -17.7568 -17.7504 -17.7504 -17.7370 -17.7370 -2.6388 -2.6388 3.1213 3.1213 3.5816 3.5816 5.2735 5.2735 8.7519 8.7519 10.3097 10.3097 k = 0.3162-0.4152-0.0000 ( 2044 PWs) bands (ev): -18.7965 -18.7965 -18.7824 -18.7824 -17.7569 -17.7569 -17.7505 -17.7505 -17.7373 -17.7373 -2.6965 -2.6965 3.1583 3.1583 3.6411 3.6411 5.3228 5.3228 8.8233 8.8233 10.5048 10.5048 k = 0.3085-0.4050-0.0000 ( 2048 PWs) bands (ev): -18.7966 -18.7966 -18.7825 -18.7825 -17.7570 -17.7570 -17.7505 -17.7505 -17.7376 -17.7376 -2.7550 -2.7550 3.1991 3.1991 3.7036 3.7036 5.3738 5.3738 8.8962 8.8962 10.7018 10.7018 k = 0.3008-0.3949-0.0000 ( 2044 PWs) bands (ev): -18.7967 -18.7967 -18.7827 -18.7827 -17.7571 -17.7571 -17.7506 -17.7506 -17.7379 -17.7379 -2.8139 -2.8139 3.2436 3.2436 3.7688 3.7688 5.4262 5.4262 8.9710 8.9710 10.8991 10.8991 k = 0.2931-0.3848-0.0000 ( 2044 PWs) bands (ev): -18.7968 -18.7968 -18.7828 -18.7828 -17.7572 -17.7572 -17.7507 -17.7507 -17.7381 -17.7381 -2.8732 -2.8732 3.2918 3.2918 3.8367 3.8367 5.4801 5.4801 9.0477 9.0477 11.0950 11.0950 k = 0.2853-0.3747-0.0000 ( 2044 PWs) bands (ev): -18.7969 -18.7969 -18.7830 -18.7830 -17.7574 -17.7574 -17.7507 -17.7507 -17.7384 -17.7384 -2.9327 -2.9327 3.3439 3.3439 3.9071 3.9071 5.5352 5.5352 9.1265 9.1265 11.2873 11.2873 k = 0.2776-0.3645-0.0000 ( 2046 PWs) bands (ev): -18.7971 -18.7971 -18.7831 -18.7831 -17.7575 -17.7575 -17.7508 -17.7508 -17.7387 -17.7387 -2.9923 -2.9923 3.3996 3.3996 3.9800 3.9800 5.5916 5.5916 9.2075 9.2075 11.4733 11.4733 k = 0.2699-0.3544-0.0000 ( 2048 PWs) bands (ev): -18.7972 -18.7972 -18.7833 -18.7833 -17.7577 -17.7577 -17.7509 -17.7509 -17.7390 -17.7390 -3.0516 -3.0516 3.4592 3.4592 4.0552 4.0552 5.6490 5.6490 9.2908 9.2908 11.6494 11.6494 k = 0.2622-0.3443-0.0000 ( 2042 PWs) bands (ev): -18.7973 -18.7973 -18.7834 -18.7834 -17.7578 -17.7578 -17.7509 -17.7509 -17.7392 -17.7392 -3.1107 -3.1107 3.5223 3.5223 4.1326 4.1326 5.7075 5.7075 9.3763 9.3763 11.8114 11.8114 k = 0.2545-0.3342-0.0000 ( 2044 PWs) bands (ev): -18.7974 -18.7974 -18.7836 -18.7836 -17.7580 -17.7580 -17.7510 -17.7510 -17.7395 -17.7395 -3.1693 -3.1693 3.5891 3.5891 4.2123 4.2123 5.7668 5.7668 9.4642 9.4642 11.9539 11.9539 k = 0.2468-0.3240-0.0000 ( 2050 PWs) bands (ev): -18.7976 -18.7976 -18.7837 -18.7837 -17.7582 -17.7582 -17.7511 -17.7511 -17.7398 -17.7398 -3.2274 -3.2274 3.6594 3.6594 4.2940 4.2940 5.8270 5.8270 9.5545 9.5545 12.0717 12.0717 k = 0.2391-0.3139-0.0000 ( 2048 PWs) bands (ev): -18.7977 -18.7977 -18.7839 -18.7839 -17.7583 -17.7583 -17.7512 -17.7512 -17.7400 -17.7400 -3.2848 -3.2848 3.7331 3.7331 4.3776 4.3776 5.8877 5.8877 9.6471 9.6471 12.1603 12.1603 k = 0.2314-0.3038-0.0000 ( 2052 PWs) bands (ev): -18.7978 -18.7978 -18.7841 -18.7841 -17.7585 -17.7585 -17.7512 -17.7512 -17.7402 -17.7402 -3.3413 -3.3413 3.8101 3.8101 4.4631 4.4631 5.9490 5.9490 9.7422 9.7422 12.2172 12.2172 k = 0.2236-0.2937-0.0000 ( 2050 PWs) bands (ev): -18.7980 -18.7980 -18.7842 -18.7842 -17.7587 -17.7587 -17.7513 -17.7513 -17.7405 -17.7405 -3.3969 -3.3969 3.8904 3.8904 4.5504 4.5504 6.0106 6.0106 9.8396 9.8396 12.2431 12.2431 k = 0.2159-0.2835-0.0000 ( 2048 PWs) bands (ev): -18.7981 -18.7981 -18.7844 -18.7844 -17.7589 -17.7589 -17.7514 -17.7514 -17.7407 -17.7407 -3.4514 -3.4514 3.9738 3.9738 4.6393 4.6393 6.0726 6.0726 9.9394 9.9394 12.2415 12.2415 k = 0.2082-0.2734-0.0000 ( 2052 PWs) bands (ev): -18.7982 -18.7982 -18.7846 -18.7846 -17.7591 -17.7591 -17.7515 -17.7515 -17.7409 -17.7409 -3.5048 -3.5048 4.0602 4.0602 4.7297 4.7297 6.1346 6.1346 10.0416 10.0416 12.2179 12.2179 k = 0.2005-0.2633-0.0000 ( 2052 PWs) bands (ev): -18.7984 -18.7984 -18.7847 -18.7847 -17.7593 -17.7593 -17.7516 -17.7516 -17.7411 -17.7411 -3.5569 -3.5569 4.1495 4.1495 4.8215 4.8215 6.1966 6.1966 10.1462 10.1462 12.1780 12.1780 k = 0.1928-0.2531-0.0000 ( 2048 PWs) bands (ev): -18.7985 -18.7985 -18.7849 -18.7849 -17.7595 -17.7595 -17.7517 -17.7517 -17.7413 -17.7413 -3.6076 -3.6076 4.2414 4.2414 4.9146 4.9146 6.2584 6.2584 10.2530 10.2530 12.1264 12.1264 k = 0.1851-0.2430-0.0000 ( 2046 PWs) bands (ev): -18.7986 -18.7986 -18.7850 -18.7850 -17.7597 -17.7597 -17.7518 -17.7518 -17.7415 -17.7415 -3.6570 -3.6570 4.3359 4.3359 5.0087 5.0087 6.3200 6.3200 10.3622 10.3622 12.0657 12.0657 k = 0.1774-0.2329-0.0000 ( 2046 PWs) bands (ev): -18.7987 -18.7987 -18.7852 -18.7852 -17.7600 -17.7600 -17.7519 -17.7519 -17.7417 -17.7417 -3.7048 -3.7048 4.4327 4.4327 5.1037 5.1037 6.3811 6.3811 10.4735 10.4735 11.9968 11.9968 k = 0.1697-0.2228-0.0000 ( 2046 PWs) bands (ev): -18.7989 -18.7989 -18.7853 -18.7853 -17.7602 -17.7602 -17.7519 -17.7519 -17.7418 -17.7418 -3.7510 -3.7510 4.5317 4.5317 5.1995 5.1995 6.4416 6.4416 10.5870 10.5870 11.9201 11.9201 k = 0.1620-0.2126-0.0000 ( 2044 PWs) bands (ev): -18.7990 -18.7990 -18.7855 -18.7855 -17.7604 -17.7604 -17.7520 -17.7520 -17.7420 -17.7420 -3.7956 -3.7956 4.6326 4.6326 5.2958 5.2958 6.5015 6.5015 10.7025 10.7025 11.8358 11.8358 k = 0.1542-0.2025-0.0000 ( 2046 PWs) bands (ev): -18.7991 -18.7991 -18.7856 -18.7856 -17.7606 -17.7606 -17.7521 -17.7521 -17.7421 -17.7421 -3.8385 -3.8385 4.7351 4.7351 5.3924 5.3924 6.5605 6.5605 10.8199 10.8199 11.7441 11.7441 k = 0.1465-0.1924-0.0000 ( 2052 PWs) bands (ev): -18.7992 -18.7992 -18.7858 -18.7858 -17.7608 -17.7608 -17.7522 -17.7522 -17.7423 -17.7423 -3.8796 -3.8796 4.8389 4.8389 5.4892 5.4892 6.6187 6.6187 10.9390 10.9390 11.6456 11.6456 k = 0.1388-0.1823-0.0000 ( 2050 PWs) bands (ev): -18.7993 -18.7993 -18.7859 -18.7859 -17.7610 -17.7610 -17.7523 -17.7523 -17.7424 -17.7424 -3.9189 -3.9189 4.9437 4.9437 5.5859 5.5859 6.6759 6.6759 11.0597 11.0597 11.5410 11.5410 k = 0.1311-0.1721-0.0000 ( 2052 PWs) bands (ev): -18.7994 -18.7994 -18.7860 -18.7860 -17.7612 -17.7612 -17.7524 -17.7524 -17.7426 -17.7426 -3.9564 -3.9564 5.0490 5.0490 5.6822 5.6822 6.7319 6.7319 11.1814 11.1814 11.4308 11.4308 k = 0.1234-0.1620-0.0000 ( 2049 PWs) bands (ev): -18.7996 -18.7996 -18.7862 -18.7862 -17.7614 -17.7614 -17.7525 -17.7525 -17.7427 -17.7427 -3.9919 -3.9919 5.1544 5.1544 5.7779 5.7779 6.7869 6.7869 11.2955 11.2955 11.3242 11.3242 k = 0.1157-0.1519-0.0000 ( 2049 PWs) bands (ev): -18.7997 -18.7997 -18.7863 -18.7863 -17.7616 -17.7616 -17.7525 -17.7525 -17.7428 -17.7428 -4.0254 -4.0254 5.2592 5.2592 5.8728 5.8728 6.8406 6.8406 11.1938 11.1938 11.4295 11.4295 k = 0.1080-0.1418-0.0000 ( 2045 PWs) bands (ev): -18.7997 -18.7997 -18.7864 -18.7864 -17.7618 -17.7618 -17.7526 -17.7526 -17.7429 -17.7429 -4.0570 -4.0570 5.3629 5.3629 5.9667 5.9667 6.8930 6.8930 11.0708 11.0708 11.5524 11.5524 k = 0.1003-0.1316-0.0000 ( 2043 PWs) bands (ev): -18.7998 -18.7998 -18.7865 -18.7865 -17.7619 -17.7619 -17.7527 -17.7527 -17.7430 -17.7430 -4.0865 -4.0865 5.4647 5.4647 6.0591 6.0591 6.9440 6.9440 10.9450 10.9450 11.6716 11.6717 k = 0.0925-0.1215-0.0000 ( 2045 PWs) bands (ev): -18.7999 -18.7999 -18.7866 -18.7866 -17.7621 -17.7621 -17.7528 -17.7528 -17.7431 -17.7431 -4.1139 -4.1139 5.5637 5.5637 6.1499 6.1499 6.9936 6.9936 10.8177 10.8177 11.6660 11.6660 k = 0.0848-0.1114-0.0000 ( 2041 PWs) bands (ev): -18.8000 -18.8000 -18.7867 -18.7867 -17.7622 -17.7622 -17.7528 -17.7528 -17.7432 -17.7432 -4.1393 -4.1393 5.6590 5.6590 6.2389 6.2389 7.0416 7.0416 10.6902 10.6902 11.6197 11.6197 k = 0.0771-0.1013-0.0000 ( 2041 PWs) bands (ev): -18.8001 -18.8001 -18.7868 -18.7868 -17.7624 -17.7624 -17.7529 -17.7529 -17.7432 -17.7432 -4.1625 -4.1625 5.7497 5.7497 6.3256 6.3256 7.0880 7.0880 10.5639 10.5639 11.5731 11.5731 k = 0.0694-0.0911-0.0000 ( 2041 PWs) bands (ev): -18.8001 -18.8001 -18.7869 -18.7869 -17.7625 -17.7625 -17.7529 -17.7529 -17.7433 -17.7433 -4.1836 -4.1836 5.8345 5.8345 6.4095 6.4095 7.1324 7.1324 10.4403 10.4403 11.5272 11.5272 k = 0.0617-0.0810-0.0000 ( 2045 PWs) bands (ev): -18.8002 -18.8002 -18.7869 -18.7869 -17.7626 -17.7626 -17.7530 -17.7530 -17.7433 -17.7433 -4.2025 -4.2025 5.9127 5.9127 6.4902 6.4902 7.1746 7.1746 10.3209 10.3209 11.4828 11.4828 k = 0.0540-0.0709-0.0000 ( 2047 PWs) bands (ev): -18.8003 -18.8003 -18.7870 -18.7870 -17.7627 -17.7627 -17.7530 -17.7530 -17.7434 -17.7434 -4.2193 -4.2193 5.9831 5.9831 6.5666 6.5666 7.2142 7.2142 10.2078 10.2078 11.4408 11.4408 k = 0.0463-0.0608-0.0000 ( 2045 PWs) bands (ev): -18.8003 -18.8003 -18.7870 -18.7870 -17.7628 -17.7628 -17.7531 -17.7531 -17.7434 -17.7434 -4.2338 -4.2338 6.0452 6.0452 6.6378 6.6378 7.2508 7.2508 10.1028 10.1028 11.4019 11.4019 k = 0.0386-0.0506-0.0000 ( 2045 PWs) bands (ev): -18.8003 -18.8003 -18.7871 -18.7871 -17.7629 -17.7629 -17.7531 -17.7531 -17.7435 -17.7435 -4.2461 -4.2461 6.0983 6.0983 6.7022 6.7022 7.2838 7.2838 10.0082 10.0082 11.3672 11.3672 k = 0.0308-0.0405-0.0000 ( 2053 PWs) bands (ev): -18.8004 -18.8004 -18.7871 -18.7871 -17.7630 -17.7630 -17.7531 -17.7531 -17.7435 -17.7435 -4.2562 -4.2562 6.1420 6.1420 6.7583 6.7583 7.3124 7.3124 9.9262 9.9262 11.3373 11.3373 k = 0.0231-0.0304-0.0000 ( 2053 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7630 -17.7630 -17.7531 -17.7531 -17.7435 -17.7435 -4.2641 -4.2641 6.1761 6.1761 6.8043 6.8043 7.3359 7.3359 9.8592 9.8592 11.3132 11.3132 k = 0.0154-0.0203-0.0000 ( 2051 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7630 -17.7630 -17.7532 -17.7532 -17.7436 -17.7436 -4.2697 -4.2697 6.2005 6.2005 6.8385 6.8385 7.3535 7.3535 9.8094 9.8094 11.2954 11.2954 k = 0.0077-0.0101-0.0000 ( 2051 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7532 -17.7532 -17.7436 -17.7436 -4.2731 -4.2731 6.2151 6.2151 6.8597 6.8597 7.3644 7.3644 9.7787 9.7787 11.2845 11.2845 k = 0.0000 0.0000 0.0000 ( 2049 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7532 -17.7532 -17.7436 -17.7436 -4.2742 -4.2742 6.2200 6.2200 6.8668 6.8668 7.3681 7.3681 9.7683 9.7683 11.2809 11.2809 k = 0.0000 0.0000 0.0000 ( 2049 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7532 -17.7532 -17.7436 -17.7436 -4.2742 -4.2742 6.2200 6.2200 6.8668 6.8668 7.3681 7.3681 9.7683 9.7683 11.2809 11.2809 k = 0.0111-0.0031-0.0053 ( 2050 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7532 -17.7532 -17.7436 -17.7436 -4.2731 -4.2731 6.2151 6.2151 6.8600 6.8600 7.3642 7.3642 9.7786 9.7786 11.2850 11.2850 k = 0.0222-0.0061-0.0106 ( 2052 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7630 -17.7630 -17.7532 -17.7532 -17.7436 -17.7436 -4.2697 -4.2697 6.1999 6.1999 6.8403 6.8403 7.3533 7.3533 9.8083 9.8083 11.2973 11.2973 k = 0.0333-0.0092-0.0159 ( 2053 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7630 -17.7630 -17.7531 -17.7531 -17.7435 -17.7435 -4.2641 -4.2641 6.1730 6.1730 6.8098 6.8098 7.3367 7.3367 9.8549 9.8549 11.3180 11.3180 k = 0.0444-0.0123-0.0211 ( 2053 PWs) bands (ev): -18.8004 -18.8004 -18.7871 -18.7871 -17.7630 -17.7630 -17.7531 -17.7531 -17.7435 -17.7435 -4.2563 -4.2563 6.1324 6.1324 6.7718 6.7718 7.3163 7.3163 9.9146 9.9146 11.3474 11.3474 k = 0.0556-0.0153-0.0264 ( 2051 PWs) bands (ev): -18.8003 -18.8003 -18.7871 -18.7871 -17.7629 -17.7629 -17.7531 -17.7531 -17.7435 -17.7435 -4.2463 -4.2463 6.0757 6.0757 6.7307 6.7307 7.2935 7.2935 9.9829 9.9829 11.3856 11.3856 k = 0.0667-0.0184-0.0317 ( 2050 PWs) bands (ev): -18.8003 -18.8003 -18.7870 -18.7870 -17.7628 -17.7628 -17.7530 -17.7530 -17.7435 -17.7435 -4.2340 -4.2340 6.0013 6.0013 6.6905 6.6905 7.2694 7.2694 10.0552 10.0552 11.4325 11.4325 k = 0.0778-0.0214-0.0370 ( 2051 PWs) bands (ev): -18.8003 -18.8003 -18.7870 -18.7870 -17.7627 -17.7627 -17.7530 -17.7530 -17.7434 -17.7434 -4.2196 -4.2196 5.9089 5.9089 6.6540 6.6540 7.2446 7.2446 10.1272 10.1272 11.4870 11.4870 k = 0.0889-0.0245-0.0423 ( 2053 PWs) bands (ev): -18.8002 -18.8002 -18.7869 -18.7869 -17.7626 -17.7626 -17.7529 -17.7529 -17.7434 -17.7434 -4.2030 -4.2030 5.7998 5.7998 6.6224 6.6224 7.2195 7.2195 10.1951 10.1951 11.5464 11.5464 k = 0.1000-0.0276-0.0476 ( 2053 PWs) bands (ev): -18.8001 -18.8001 -18.7869 -18.7869 -17.7625 -17.7625 -17.7529 -17.7529 -17.7433 -17.7433 -4.1843 -4.1843 5.6764 5.6764 6.5954 6.5954 7.1943 7.1943 10.2561 10.2561 11.6053 11.6053 k = 0.1111-0.0306-0.0529 ( 2052 PWs) bands (ev): -18.8001 -18.8001 -18.7868 -18.7868 -17.7624 -17.7624 -17.7528 -17.7528 -17.7432 -17.7432 -4.1635 -4.1635 5.5415 5.5415 6.5721 6.5721 7.1694 7.1694 10.3078 10.3078 11.6548 11.6548 k = 0.1222-0.0337-0.0582 ( 2050 PWs) bands (ev): -18.8000 -18.8000 -18.7867 -18.7867 -17.7623 -17.7623 -17.7528 -17.7528 -17.7432 -17.7432 -4.1405 -4.1405 5.3977 5.3977 6.5512 6.5512 7.1450 7.1450 10.3491 10.3491 11.6858 11.6858 k = 0.1333-0.0368-0.0634 ( 2049 PWs) bands (ev): -18.7999 -18.7999 -18.7866 -18.7866 -17.7621 -17.7621 -17.7527 -17.7527 -17.7431 -17.7431 -4.1156 -4.1156 5.2472 5.2472 6.5318 6.5318 7.1213 7.1213 10.3792 10.3792 11.6964 11.6964 k = 0.1444-0.0398-0.0687 ( 2045 PWs) bands (ev): -18.7999 -18.7999 -18.7865 -18.7865 -17.7620 -17.7620 -17.7527 -17.7527 -17.7430 -17.7430 -4.0886 -4.0886 5.0918 5.0918 6.5129 6.5129 7.0988 7.0988 10.3979 10.3979 11.6936 11.6936 k = 0.1556-0.0429-0.0740 ( 2044 PWs) bands (ev): -18.7998 -18.7998 -18.7864 -18.7864 -17.7619 -17.7619 -17.7526 -17.7526 -17.7429 -17.7429 -4.0597 -4.0597 4.9331 4.9331 6.4938 6.4938 7.0778 7.0778 10.4055 10.4055 11.6860 11.6860 k = 0.1667-0.0459-0.0793 ( 2043 PWs) bands (ev): -18.7997 -18.7997 -18.7863 -18.7863 -17.7617 -17.7617 -17.7525 -17.7525 -17.7427 -17.7427 -4.0289 -4.0289 4.7723 4.7723 6.4740 6.4740 7.0585 7.0585 10.4027 10.4027 11.6796 11.6796 k = 0.1778-0.0490-0.0846 ( 2048 PWs) bands (ev): -18.7996 -18.7996 -18.7862 -18.7862 -17.7615 -17.7615 -17.7525 -17.7525 -17.7426 -17.7426 -3.9963 -3.9963 4.6102 4.6102 6.4531 6.4531 7.0411 7.0411 10.3903 10.3903 11.6776 11.6776 k = 0.1889-0.0521-0.0899 ( 2047 PWs) bands (ev): -18.7995 -18.7995 -18.7860 -18.7860 -17.7614 -17.7614 -17.7524 -17.7524 -17.7424 -17.7424 -3.9618 -3.9618 4.4477 4.4477 6.4309 6.4309 7.0258 7.0258 10.3696 10.3696 11.6811 11.6811 k = 0.2000-0.0551-0.0952 ( 2049 PWs) bands (ev): -18.7994 -18.7994 -18.7859 -18.7859 -17.7612 -17.7612 -17.7524 -17.7524 -17.7423 -17.7423 -3.9257 -3.9257 4.2855 4.2855 6.4072 6.4072 7.0126 7.0126 10.3417 10.3417 11.6903 11.6903 k = 0.2111-0.0582-0.1005 ( 2049 PWs) bands (ev): -18.7993 -18.7993 -18.7858 -18.7858 -17.7611 -17.7611 -17.7523 -17.7523 -17.7421 -17.7421 -3.8880 -3.8880 4.1242 4.1242 6.3823 6.3823 7.0016 7.0016 10.3082 10.3082 11.7045 11.7045 k = 0.2222-0.0613-0.1057 ( 2051 PWs) bands (ev): -18.7993 -18.7993 -18.7856 -18.7856 -17.7609 -17.7609 -17.7523 -17.7523 -17.7419 -17.7419 -3.8488 -3.8488 3.9642 3.9642 6.3560 6.3560 6.9926 6.9926 10.2702 10.2702 11.7225 11.7225 k = 0.2333-0.0643-0.1110 ( 2051 PWs) bands (ev): -18.7992 -18.7992 -18.7855 -18.7855 -17.7607 -17.7607 -17.7523 -17.7523 -17.7417 -17.7417 -3.8081 -3.8081 3.8060 3.8060 6.3287 6.3287 6.9856 6.9856 10.2289 10.2289 11.7425 11.7425 k = 0.2444-0.0674-0.1163 ( 2053 PWs) bands (ev): -18.7991 -18.7991 -18.7854 -18.7854 -17.7606 -17.7606 -17.7522 -17.7522 -17.7415 -17.7415 -3.7662 -3.7662 3.6500 3.6500 6.3005 6.3005 6.9803 6.9803 10.1855 10.1855 11.7622 11.7622 k = 0.2556-0.0705-0.1216 ( 2053 PWs) bands (ev): -18.7990 -18.7990 -18.7852 -18.7852 -17.7604 -17.7604 -17.7522 -17.7522 -17.7413 -17.7413 -3.7231 -3.7231 3.4966 3.4966 6.2717 6.2717 6.9766 6.9766 10.1407 10.1407 11.7785 11.7785 k = 0.2667-0.0735-0.1269 ( 2053 PWs) bands (ev): -18.7989 -18.7989 -18.7851 -18.7851 -17.7603 -17.7603 -17.7522 -17.7522 -17.7411 -17.7411 -3.6789 -3.6789 3.3460 3.3460 6.2425 6.2425 6.9742 6.9742 10.0954 10.0954 11.7882 11.7882 k = 0.2778-0.0766-0.1322 ( 2051 PWs) bands (ev): -18.7988 -18.7988 -18.7849 -18.7849 -17.7602 -17.7602 -17.7521 -17.7521 -17.7409 -17.7409 -3.6339 -3.6339 3.1988 3.1988 6.2133 6.2133 6.9730 6.9730 10.0502 10.0502 11.7886 11.7886 k = 0.2889-0.0796-0.1375 ( 2054 PWs) bands (ev): -18.7987 -18.7987 -18.7848 -18.7848 -17.7600 -17.7600 -17.7521 -17.7521 -17.7406 -17.7406 -3.5882 -3.5882 3.0551 3.0551 6.1842 6.1842 6.9728 6.9728 10.0055 10.0055 11.7793 11.7793 k = 0.3000-0.0827-0.1428 ( 2051 PWs) bands (ev): -18.7986 -18.7986 -18.7847 -18.7847 -17.7599 -17.7599 -17.7521 -17.7521 -17.7404 -17.7404 -3.5420 -3.5420 2.9154 2.9154 6.1555 6.1555 6.9734 6.9734 9.9617 9.9617 11.7617 11.7617 k = 0.3111-0.0858-0.1480 ( 2047 PWs) bands (ev): -18.7986 -18.7986 -18.7845 -18.7845 -17.7598 -17.7598 -17.7521 -17.7521 -17.7402 -17.7402 -3.4955 -3.4955 2.7799 2.7799 6.1274 6.1274 6.9746 6.9746 9.9193 9.9193 11.7385 11.7385 k = 0.3222-0.0888-0.1533 ( 2047 PWs) bands (ev): -18.7985 -18.7985 -18.7844 -18.7844 -17.7597 -17.7597 -17.7521 -17.7521 -17.7399 -17.7399 -3.4489 -3.4489 2.6489 2.6489 6.1001 6.1001 6.9763 6.9763 9.8784 9.8784 11.7120 11.7120 k = 0.3333-0.0919-0.1586 ( 2044 PWs) bands (ev): -18.7984 -18.7984 -18.7843 -18.7843 -17.7595 -17.7595 -17.7520 -17.7520 -17.7397 -17.7397 -3.4026 -3.4026 2.5230 2.5230 6.0737 6.0737 6.9784 6.9784 9.8393 9.8393 11.6840 11.6840 k = 0.3444-0.0950-0.1639 ( 2041 PWs) bands (ev): -18.7984 -18.7984 -18.7842 -18.7842 -17.7594 -17.7594 -17.7520 -17.7520 -17.7395 -17.7395 -3.3567 -3.3567 2.4023 2.4023 6.0485 6.0485 6.9808 6.9808 9.8021 9.8021 11.6556 11.6556 k = 0.3556-0.0980-0.1692 ( 2039 PWs) bands (ev): -18.7983 -18.7983 -18.7840 -18.7840 -17.7594 -17.7594 -17.7520 -17.7520 -17.7392 -17.7392 -3.3116 -3.3116 2.2873 2.2873 6.0245 6.0245 6.9833 6.9833 9.7671 9.7671 11.6277 11.6277 k = 0.3667-0.1011-0.1745 ( 2042 PWs) bands (ev): -18.7982 -18.7982 -18.7839 -18.7839 -17.7593 -17.7593 -17.7520 -17.7520 -17.7390 -17.7390 -3.2676 -3.2676 2.1783 2.1783 6.0018 6.0018 6.9859 6.9859 9.7343 9.7343 11.6008 11.6008 k = 0.3778-0.1041-0.1798 ( 2041 PWs) bands (ev): -18.7982 -18.7982 -18.7838 -18.7838 -17.7592 -17.7592 -17.7520 -17.7520 -17.7388 -17.7388 -3.2250 -3.2250 2.0758 2.0758 5.9806 5.9806 6.9885 6.9885 9.7039 9.7039 11.5753 11.5753 k = 0.3889-0.1072-0.1851 ( 2044 PWs) bands (ev): -18.7981 -18.7981 -18.7837 -18.7837 -17.7591 -17.7591 -17.7520 -17.7520 -17.7386 -17.7386 -3.1843 -3.1843 1.9802 1.9802 5.9609 5.9609 6.9911 6.9911 9.6759 9.6759 11.5515 11.5515 k = 0.4000-0.1103-0.1903 ( 2041 PWs) bands (ev): -18.7981 -18.7981 -18.7836 -18.7836 -17.7591 -17.7591 -17.7520 -17.7520 -17.7385 -17.7385 -3.1458 -3.1458 1.8919 1.8919 5.9429 5.9429 6.9936 6.9936 9.6504 9.6504 11.5296 11.5296 k = 0.4111-0.1133-0.1956 ( 2041 PWs) bands (ev): -18.7980 -18.7980 -18.7835 -18.7835 -17.7590 -17.7590 -17.7520 -17.7520 -17.7383 -17.7383 -3.1098 -3.1098 1.8114 1.8114 5.9267 5.9267 6.9959 6.9959 9.6275 9.6275 11.5097 11.5097 k = 0.4222-0.1164-0.2009 ( 2042 PWs) bands (ev): -18.7980 -18.7980 -18.7835 -18.7835 -17.7590 -17.7590 -17.7520 -17.7520 -17.7382 -17.7382 -3.0769 -3.0769 1.7390 1.7390 5.9122 5.9122 6.9980 6.9980 9.6071 9.6071 11.4920 11.4920 k = 0.4333-0.1195-0.2062 ( 2038 PWs) bands (ev): -18.7980 -18.7980 -18.7834 -18.7834 -17.7589 -17.7589 -17.7520 -17.7520 -17.7380 -17.7380 -3.0474 -3.0474 1.6752 1.6752 5.8995 5.8995 6.9999 6.9999 9.5894 9.5894 11.4765 11.4765 k = 0.4444-0.1225-0.2115 ( 2039 PWs) bands (ev): -18.7979 -18.7979 -18.7833 -18.7833 -17.7589 -17.7589 -17.7520 -17.7520 -17.7379 -17.7379 -3.0216 -3.0216 1.6204 1.6204 5.8887 5.8887 7.0015 7.0015 9.5744 9.5744 11.4633 11.4633 k = 0.4556-0.1256-0.2168 ( 2042 PWs) bands (ev): -18.7979 -18.7979 -18.7833 -18.7833 -17.7588 -17.7588 -17.7520 -17.7520 -17.7378 -17.7378 -3.0000 -3.0000 1.5750 1.5750 5.8798 5.8798 7.0029 7.0029 9.5621 9.5621 11.4524 11.4524 k = 0.4667-0.1287-0.2221 ( 2042 PWs) bands (ev): -18.7979 -18.7979 -18.7833 -18.7833 -17.7588 -17.7588 -17.7520 -17.7520 -17.7378 -17.7378 -2.9828 -2.9828 1.5394 1.5394 5.8729 5.8729 7.0040 7.0040 9.5524 9.5524 11.4440 11.4440 k = 0.4778-0.1317-0.2274 ( 2044 PWs) bands (ev): -18.7979 -18.7979 -18.7832 -18.7832 -17.7588 -17.7588 -17.7520 -17.7520 -17.7377 -17.7377 -2.9704 -2.9704 1.5137 1.5137 5.8679 5.8679 7.0048 7.0048 9.5456 9.5456 11.4379 11.4379 k = 0.4889-0.1348-0.2326 ( 2044 PWs) bands (ev): -18.7979 -18.7979 -18.7832 -18.7832 -17.7588 -17.7588 -17.7520 -17.7520 -17.7377 -17.7377 -2.9628 -2.9628 1.4982 1.4982 5.8649 5.8649 7.0053 7.0053 9.5414 9.5414 11.4342 11.4342 k = 0.5000-0.1378-0.2379 ( 2048 PWs) bands (ev): -18.7979 -18.7979 -18.7832 -18.7832 -17.7588 -17.7588 -17.7520 -17.7520 -17.7377 -17.7377 -2.9603 -2.9603 1.4930 1.4930 5.8639 5.8639 7.0054 7.0054 9.5401 9.5401 11.4330 11.4330 k = 0.5000-0.1378 0.3586 ( 2044 PWs) bands (ev): -18.7973 -18.7973 -18.7819 -18.7819 -17.7608 -17.7608 -17.7476 -17.7476 -17.7365 -17.7365 -2.5446 -2.5446 1.7145 1.7145 4.8075 4.8075 5.9623 5.9623 8.2493 8.2493 9.4974 9.4974 k = 0.4898-0.1350 0.3513 ( 2043 PWs) bands (ev): -18.7973 -18.7973 -18.7819 -18.7819 -17.7608 -17.7608 -17.7476 -17.7476 -17.7365 -17.7365 -2.5477 -2.5477 1.7198 1.7198 4.8088 4.8088 5.9630 5.9630 8.2514 8.2514 9.4989 9.4989 k = 0.4796-0.1322 0.3440 ( 2043 PWs) bands (ev): -18.7973 -18.7973 -18.7819 -18.7819 -17.7608 -17.7608 -17.7476 -17.7476 -17.7365 -17.7365 -2.5568 -2.5568 1.7355 1.7355 4.8125 4.8125 5.9653 5.9653 8.2579 8.2579 9.5036 9.5036 k = 0.4694-0.1294 0.3367 ( 2044 PWs) bands (ev): -18.7973 -18.7973 -18.7820 -18.7820 -17.7608 -17.7608 -17.7477 -17.7477 -17.7366 -17.7366 -2.5719 -2.5719 1.7614 1.7614 4.8188 4.8188 5.9690 5.9690 8.2686 8.2686 9.5114 9.5114 k = 0.4592-0.1266 0.3294 ( 2046 PWs) bands (ev): -18.7973 -18.7973 -18.7820 -18.7820 -17.7608 -17.7608 -17.7477 -17.7477 -17.7366 -17.7366 -2.5927 -2.5927 1.7974 1.7974 4.8275 4.8275 5.9743 5.9743 8.2836 8.2836 9.5223 9.5223 k = 0.4490-0.1238 0.3221 ( 2048 PWs) bands (ev): -18.7973 -18.7973 -18.7821 -18.7821 -17.7608 -17.7608 -17.7477 -17.7477 -17.7367 -17.7367 -2.6189 -2.6189 1.8430 1.8430 4.8387 4.8387 5.9810 5.9810 8.3030 8.3030 9.5363 9.5363 k = 0.4388-0.1210 0.3147 ( 2055 PWs) bands (ev): -18.7974 -18.7974 -18.7821 -18.7821 -17.7608 -17.7608 -17.7478 -17.7478 -17.7368 -17.7368 -2.6501 -2.6501 1.8979 1.8979 4.8524 4.8524 5.9892 5.9892 8.3266 8.3266 9.5533 9.5533 k = 0.4286-0.1182 0.3074 ( 2054 PWs) bands (ev): -18.7974 -18.7974 -18.7822 -18.7822 -17.7608 -17.7608 -17.7479 -17.7479 -17.7370 -17.7370 -2.6857 -2.6857 1.9616 1.9616 4.8685 4.8685 5.9990 5.9990 8.3545 8.3545 9.5735 9.5735 k = 0.4184-0.1153 0.3001 ( 2056 PWs) bands (ev): -18.7974 -18.7974 -18.7823 -18.7823 -17.7608 -17.7608 -17.7479 -17.7479 -17.7371 -17.7371 -2.7255 -2.7255 2.0336 2.0336 4.8871 4.8871 6.0102 6.0102 8.3866 8.3866 9.5967 9.5967 k = 0.4082-0.1125 0.2928 ( 2053 PWs) bands (ev): -18.7975 -18.7975 -18.7824 -18.7824 -17.7608 -17.7608 -17.7480 -17.7480 -17.7373 -17.7373 -2.7688 -2.7688 2.1133 2.1133 4.9080 4.9080 6.0229 6.0229 8.4230 8.4230 9.6230 9.6230 k = 0.3980-0.1097 0.2855 ( 2052 PWs) bands (ev): -18.7975 -18.7975 -18.7825 -18.7825 -17.7608 -17.7608 -17.7481 -17.7481 -17.7374 -17.7374 -2.8153 -2.8153 2.2002 2.2002 4.9314 4.9314 6.0371 6.0371 8.4637 8.4637 9.6523 9.6523 k = 0.3878-0.1069 0.2781 ( 2055 PWs) bands (ev): -18.7976 -18.7976 -18.7826 -18.7826 -17.7608 -17.7608 -17.7482 -17.7482 -17.7376 -17.7376 -2.8644 -2.8644 2.2938 2.2938 4.9571 4.9571 6.0527 6.0527 8.5086 8.5086 9.6846 9.6846 k = 0.3776-0.1041 0.2708 ( 2056 PWs) bands (ev): -18.7977 -18.7977 -18.7827 -18.7827 -17.7608 -17.7608 -17.7484 -17.7484 -17.7378 -17.7378 -2.9156 -2.9156 2.3937 2.3937 4.9851 4.9851 6.0699 6.0699 8.5576 8.5576 9.7198 9.7198 k = 0.3673-0.1013 0.2635 ( 2054 PWs) bands (ev): -18.7977 -18.7977 -18.7828 -18.7828 -17.7608 -17.7608 -17.7485 -17.7485 -17.7380 -17.7380 -2.9687 -2.9687 2.4992 2.4992 5.0153 5.0153 6.0885 6.0885 8.6109 8.6109 9.7580 9.7580 k = 0.3571-0.0985 0.2562 ( 2057 PWs) bands (ev): -18.7978 -18.7978 -18.7829 -18.7829 -17.7608 -17.7608 -17.7486 -17.7486 -17.7383 -17.7383 -3.0231 -3.0231 2.6100 2.6100 5.0479 5.0479 6.1085 6.1085 8.6684 8.6684 9.7991 9.7991 k = 0.3469-0.0956 0.2489 ( 2059 PWs) bands (ev): -18.7979 -18.7979 -18.7831 -18.7831 -17.7609 -17.7609 -17.7488 -17.7488 -17.7385 -17.7385 -3.0785 -3.0785 2.7255 2.7255 5.0826 5.0826 6.1300 6.1300 8.7300 8.7300 9.8430 9.8430 k = 0.3367-0.0928 0.2415 ( 2059 PWs) bands (ev): -18.7979 -18.7979 -18.7832 -18.7832 -17.7609 -17.7609 -17.7489 -17.7489 -17.7387 -17.7387 -3.1346 -3.1346 2.8454 2.8454 5.1195 5.1195 6.1529 6.1529 8.7956 8.7956 9.8896 9.8896 k = 0.3265-0.0900 0.2342 ( 2060 PWs) bands (ev): -18.7980 -18.7980 -18.7834 -18.7834 -17.7609 -17.7609 -17.7491 -17.7491 -17.7390 -17.7390 -3.1910 -3.1910 2.9691 2.9691 5.1584 5.1584 6.1771 6.1771 8.8654 8.8654 9.9390 9.9390 k = 0.3163-0.0872 0.2269 ( 2058 PWs) bands (ev): -18.7981 -18.7981 -18.7835 -18.7835 -17.7609 -17.7609 -17.7492 -17.7492 -17.7392 -17.7392 -3.2475 -3.2475 3.0965 3.0965 5.1995 5.1995 6.2028 6.2028 8.9392 8.9392 9.9911 9.9911 k = 0.3061-0.0844 0.2196 ( 2057 PWs) bands (ev): -18.7982 -18.7982 -18.7837 -18.7837 -17.7610 -17.7610 -17.7494 -17.7494 -17.7395 -17.7395 -3.3039 -3.3039 3.2270 3.2270 5.2425 5.2425 6.2297 6.2297 9.0169 9.0169 10.0456 10.0456 k = 0.2959-0.0816 0.2123 ( 2058 PWs) bands (ev): -18.7983 -18.7983 -18.7838 -18.7838 -17.7610 -17.7610 -17.7495 -17.7495 -17.7397 -17.7397 -3.3598 -3.3598 3.3602 3.3602 5.2874 5.2874 6.2580 6.2580 9.0985 9.0985 10.1027 10.1027 k = 0.2857-0.0788 0.2049 ( 2060 PWs) bands (ev): -18.7984 -18.7984 -18.7840 -18.7840 -17.7610 -17.7610 -17.7497 -17.7497 -17.7400 -17.7400 -3.4150 -3.4150 3.4959 3.4959 5.3341 5.3341 6.2875 6.2875 9.1839 9.1839 10.1620 10.1620 k = 0.2755-0.0760 0.1976 ( 2057 PWs) bands (ev): -18.7985 -18.7985 -18.7842 -18.7842 -17.7611 -17.7611 -17.7499 -17.7499 -17.7402 -17.7402 -3.4695 -3.4695 3.6337 3.6337 5.3827 5.3827 6.3182 6.3182 9.2729 9.2729 10.2234 10.2234 k = 0.2653-0.0731 0.1903 ( 2056 PWs) bands (ev): -18.7986 -18.7986 -18.7844 -18.7844 -17.7612 -17.7612 -17.7501 -17.7501 -17.7405 -17.7405 -3.5230 -3.5230 3.7732 3.7732 5.4329 5.4329 6.3501 6.3501 9.3654 9.3654 10.2868 10.2868 k = 0.2551-0.0703 0.1830 ( 2057 PWs) bands (ev): -18.7987 -18.7987 -18.7845 -18.7845 -17.7612 -17.7612 -17.7502 -17.7502 -17.7407 -17.7407 -3.5753 -3.5753 3.9141 3.9141 5.4848 5.4848 6.3830 6.3830 9.4612 9.4612 10.3519 10.3519 k = 0.2449-0.0675 0.1757 ( 2057 PWs) bands (ev): -18.7988 -18.7988 -18.7847 -18.7847 -17.7613 -17.7613 -17.7504 -17.7504 -17.7409 -17.7409 -3.6264 -3.6264 4.0560 4.0560 5.5382 5.5382 6.4171 6.4171 9.5600 9.5600 10.4184 10.4184 k = 0.2347-0.0647 0.1683 ( 2056 PWs) bands (ev): -18.7989 -18.7989 -18.7849 -18.7849 -17.7614 -17.7614 -17.7506 -17.7506 -17.7412 -17.7412 -3.6761 -3.6761 4.1985 4.1985 5.5931 5.5931 6.4521 6.4521 9.6614 9.6614 10.4860 10.4860 k = 0.2245-0.0619 0.1610 ( 2050 PWs) bands (ev): -18.7990 -18.7990 -18.7850 -18.7850 -17.7614 -17.7614 -17.7508 -17.7508 -17.7414 -17.7414 -3.7243 -3.7243 4.3412 4.3412 5.6494 5.6494 6.4880 6.4880 9.7648 9.7648 10.5542 10.5542 k = 0.2143-0.0591 0.1537 ( 2049 PWs) bands (ev): -18.7991 -18.7991 -18.7852 -18.7852 -17.7615 -17.7615 -17.7509 -17.7509 -17.7416 -17.7416 -3.7708 -3.7708 4.4836 4.4836 5.7071 5.7071 6.5248 6.5248 9.8697 9.8697 10.6225 10.6225 k = 0.2041-0.0563 0.1464 ( 2047 PWs) bands (ev): -18.7992 -18.7992 -18.7854 -18.7854 -17.7616 -17.7616 -17.7511 -17.7511 -17.7418 -17.7418 -3.8157 -3.8157 4.6254 4.6254 5.7661 5.7661 6.5624 6.5624 9.9750 9.9750 10.6902 10.6902 k = 0.1939-0.0534 0.1391 ( 2049 PWs) bands (ev): -18.7993 -18.7993 -18.7855 -18.7855 -17.7617 -17.7617 -17.7513 -17.7513 -17.7420 -17.7420 -3.8588 -3.8588 4.7658 4.7658 5.8265 5.8265 6.6007 6.6007 10.0792 10.0792 10.7567 10.7567 k = 0.1837-0.0506 0.1317 ( 2047 PWs) bands (ev): -18.7994 -18.7994 -18.7857 -18.7857 -17.7618 -17.7618 -17.7515 -17.7515 -17.7422 -17.7422 -3.9000 -3.9000 4.9043 4.9043 5.8881 5.8881 6.6397 6.6397 10.1804 10.1804 10.8210 10.8210 k = 0.1735-0.0478 0.1244 ( 2048 PWs) bands (ev): -18.7995 -18.7995 -18.7858 -18.7858 -17.7619 -17.7619 -17.7516 -17.7516 -17.7423 -17.7423 -3.9393 -3.9393 5.0402 5.0402 5.9512 5.9512 6.6793 6.6793 10.2754 10.2754 10.8826 10.8826 k = 0.1633-0.0450 0.1171 ( 2048 PWs) bands (ev): -18.7996 -18.7996 -18.7860 -18.7860 -17.7620 -17.7620 -17.7518 -17.7518 -17.7425 -17.7425 -3.9767 -3.9767 5.1726 5.1726 6.0158 6.0158 6.7194 6.7194 10.3599 10.3599 10.9414 10.9414 k = 0.1531-0.0422 0.1098 ( 2048 PWs) bands (ev): -18.7997 -18.7997 -18.7861 -18.7861 -17.7621 -17.7621 -17.7519 -17.7519 -17.7426 -17.7426 -4.0120 -4.0120 5.3005 5.3005 6.0820 6.0820 6.7602 6.7602 10.4280 10.4280 10.9981 10.9981 k = 0.1429-0.0394 0.1025 ( 2047 PWs) bands (ev): -18.7998 -18.7998 -18.7862 -18.7862 -17.7622 -17.7622 -17.7521 -17.7521 -17.7427 -17.7427 -4.0452 -4.0452 5.4228 5.4228 6.1500 6.1500 6.8014 6.8014 10.4728 10.4728 11.0546 11.0546 k = 0.1327-0.0366 0.0952 ( 2046 PWs) bands (ev): -18.7999 -18.7999 -18.7864 -18.7864 -17.7623 -17.7623 -17.7522 -17.7522 -17.7429 -17.7429 -4.0763 -4.0763 5.5383 5.5383 6.2200 6.2200 6.8434 6.8434 10.4891 10.4891 11.1123 11.1123 k = 0.1224-0.0338 0.0878 ( 2046 PWs) bands (ev): -18.7999 -18.7999 -18.7865 -18.7865 -17.7624 -17.7624 -17.7524 -17.7524 -17.7430 -17.7430 -4.1052 -4.1052 5.6459 5.6459 6.2919 6.2919 6.8860 6.8860 10.4757 10.4757 11.1704 11.1704 k = 0.1122-0.0309 0.0805 ( 2049 PWs) bands (ev): -18.8000 -18.8000 -18.7866 -18.7866 -17.7625 -17.7625 -17.7525 -17.7525 -17.7431 -17.7431 -4.1319 -4.1319 5.7444 5.7444 6.3653 6.3653 6.9296 6.9296 10.4362 10.4362 11.2255 11.2255 k = 0.1020-0.0281 0.0732 ( 2049 PWs) bands (ev): -18.8001 -18.8001 -18.7867 -18.7867 -17.7626 -17.7626 -17.7526 -17.7526 -17.7432 -17.7432 -4.1564 -4.1564 5.8331 5.8331 6.4394 6.4394 6.9745 6.9745 10.3765 10.3765 11.2725 11.2725 k = 0.0918-0.0253 0.0659 ( 2049 PWs) bands (ev): -18.8002 -18.8002 -18.7868 -18.7868 -17.7627 -17.7627 -17.7527 -17.7527 -17.7432 -17.7432 -4.1786 -4.1786 5.9117 5.9117 6.5127 6.5127 7.0208 7.0208 10.3032 10.3032 11.3076 11.3076 k = 0.0816-0.0225 0.0586 ( 2051 PWs) bands (ev): -18.8002 -18.8002 -18.7869 -18.7869 -17.7628 -17.7628 -17.7528 -17.7528 -17.7433 -17.7433 -4.1986 -4.1986 5.9802 5.9802 6.5832 6.5832 7.0688 7.0688 10.2220 10.2220 11.3289 11.3289 k = 0.0714-0.0197 0.0512 ( 2053 PWs) bands (ev): -18.8003 -18.8003 -18.7869 -18.7869 -17.7628 -17.7628 -17.7529 -17.7529 -17.7434 -17.7434 -4.2162 -4.2162 6.0390 6.0390 6.6486 6.6486 7.1185 7.1185 10.1380 10.1380 11.3371 11.3371 k = 0.0612-0.0169 0.0439 ( 2054 PWs) bands (ev): -18.8003 -18.8003 -18.7870 -18.7870 -17.7629 -17.7629 -17.7530 -17.7530 -17.7434 -17.7434 -4.2316 -4.2316 6.0886 6.0886 6.7068 6.7068 7.1692 7.1692 10.0551 10.0551 11.3348 11.3348 k = 0.0510-0.0141 0.0366 ( 2055 PWs) bands (ev): -18.8003 -18.8003 -18.7871 -18.7871 -17.7629 -17.7629 -17.7530 -17.7530 -17.7435 -17.7435 -4.2446 -4.2446 6.1297 6.1297 6.7565 6.7565 7.2193 7.2193 9.9771 9.9771 11.3257 11.3257 k = 0.0408-0.0113 0.0293 ( 2054 PWs) bands (ev): -18.8004 -18.8004 -18.7871 -18.7871 -17.7630 -17.7630 -17.7531 -17.7531 -17.7435 -17.7435 -4.2552 -4.2552 6.1627 6.1627 6.7969 6.7969 7.2665 7.2665 9.9075 9.9075 11.3133 11.3133 k = 0.0306-0.0084 0.0220 ( 2053 PWs) bands (ev): -18.8004 -18.8004 -18.7871 -18.7871 -17.7630 -17.7630 -17.7531 -17.7531 -17.7435 -17.7435 -4.2635 -4.2635 6.1879 6.1879 6.8279 6.8279 7.3079 7.3079 9.8492 9.8492 11.3007 11.3007 k = 0.0204-0.0056 0.0146 ( 2052 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7531 -17.7531 -17.7435 -17.7435 -4.2695 -4.2695 6.2058 6.2058 6.8496 6.8496 7.3403 7.3403 9.8051 9.8051 11.2902 11.2902 k = 0.0102-0.0028 0.0073 ( 2051 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7532 -17.7532 -17.7436 -17.7436 -4.2730 -4.2730 6.2165 6.2165 6.8625 6.8625 7.3610 7.3610 9.7777 9.7777 11.2833 11.2833 k = 0.0000 0.0000 0.0000 ( 2049 PWs) bands (ev): -18.8004 -18.8004 -18.7872 -18.7872 -17.7631 -17.7631 -17.7532 -17.7532 -17.7436 -17.7436 -4.2742 -4.2742 6.2200 6.2200 6.8668 6.8668 7.3681 7.3681 9.7683 9.7683 11.2809 11.2809 Writing output data file Sn.save init_run : 0.08s CPU 0.23s WALL ( 1 calls) electrons : 80.36s CPU 81.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 80.35s CPU 81.35s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 387 calls) cegterg : 71.31s CPU 71.89s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 30.56s CPU 31.17s WALL ( 6021 calls) s_psi : 0.31s CPU 0.30s WALL ( 6021 calls) g_psi : 0.04s CPU 0.02s WALL ( 5244 calls) cdiaghg : 39.53s CPU 39.67s WALL ( 5631 calls) cegterg:over : 2.56s CPU 2.57s WALL ( 5244 calls) cegterg:upda : 1.36s CPU 1.32s WALL ( 5244 calls) cegterg:last : 0.66s CPU 0.65s WALL ( 883 calls) cdiaghg:chol : 1.41s CPU 1.37s WALL ( 5631 calls) cdiaghg:inve : 0.34s CPU 0.32s WALL ( 5631 calls) cdiaghg:para : 3.09s CPU 3.09s WALL ( 11262 calls) Called by h_psi: h_psi:vloc : 29.36s CPU 29.95s WALL ( 6021 calls) h_psi:vnl : 1.16s CPU 1.20s WALL ( 6021 calls) add_vuspsi : 0.35s CPU 0.40s WALL ( 6021 calls) General routines calbec : 0.80s CPU 0.79s WALL ( 6021 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.72s CPU 29.32s WALL ( 263612 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.24s WALL ( 774 calls) Parallel routines fft_scatter : 23.30s CPU 23.74s WALL ( 263635 calls) PWSCF : 1m39.83s CPU 2m 2.88s WALL This run was terminated on: 9:56: 8 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=