Program PWSCF v.5.1.1 starts on 23May2015 at 2:32: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./IrC2.save/ file Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 16 5 802 278 47 Max 34 17 7 806 291 50 Sum 1587 807 247 38585 13673 2329 bravais-lattice index = 14 lattice parameter (alat) = 11.5284 a.u. unit-cell volume = 386.6815 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.528449 celldm(2)= 1.000000 celldm(3)= 1.098218 celldm(4)= 0.842430 celldm(5)= 0.842430 celldm(6)= 0.887093 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.887093 0.461591 0.000000 ) a(3) = ( 0.925172 0.226301 0.546743 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.921813 -0.896698 ) b(2) = ( 0.000000 2.166418 -0.896698 ) b(3) = ( 0.000000 0.000000 1.829014 ) PseudoPot. # 1 for Ir read from file: /home/autes/Pseudo/Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6b565eb6e2516fc30fbc5a2cc5b4266f Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ir 9.00 192.21700 Ir( 1.00) C 4.00 12.01070 C( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 480 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 2) = ( 0.0092593 0.0022649 -0.0166055), wk = 0.0020833 k( 3) = ( 0.0185185 0.0045297 -0.0332111), wk = 0.0020833 k( 4) = ( 0.0277778 0.0067946 -0.0498166), wk = 0.0020833 k( 5) = ( 0.0370370 0.0090594 -0.0664221), wk = 0.0020833 k( 6) = ( 0.0462963 0.0113243 -0.0830276), wk = 0.0020833 k( 7) = ( 0.0555556 0.0135891 -0.0996332), wk = 0.0020833 k( 8) = ( 0.0648148 0.0158540 -0.1162387), wk = 0.0020833 k( 9) = ( 0.0740741 0.0181189 -0.1328442), wk = 0.0020833 k( 10) = ( 0.0833333 0.0203837 -0.1494497), wk = 0.0020833 k( 11) = ( 0.0925926 0.0226486 -0.1660553), wk = 0.0020833 k( 12) = ( 0.1018518 0.0249134 -0.1826608), wk = 0.0020833 k( 13) = ( 0.1111111 0.0271783 -0.1992663), wk = 0.0020833 k( 14) = ( 0.1203704 0.0294431 -0.2158719), wk = 0.0020833 k( 15) = ( 0.1296296 0.0317080 -0.2324774), wk = 0.0020833 k( 16) = ( 0.1388889 0.0339729 -0.2490829), wk = 0.0020833 k( 17) = ( 0.1481482 0.0362377 -0.2656884), wk = 0.0020833 k( 18) = ( 0.1574074 0.0385026 -0.2822940), wk = 0.0020833 k( 19) = ( 0.1666667 0.0407674 -0.2988995), wk = 0.0020833 k( 20) = ( 0.1759259 0.0430323 -0.3155050), wk = 0.0020833 k( 21) = ( 0.1851852 0.0452971 -0.3321106), wk = 0.0020833 k( 22) = ( 0.1944444 0.0475620 -0.3487161), wk = 0.0020833 k( 23) = ( 0.2037037 0.0498269 -0.3653216), wk = 0.0020833 k( 24) = ( 0.2129630 0.0520917 -0.3819271), wk = 0.0020833 k( 25) = ( 0.2222222 0.0543566 -0.3985326), wk = 0.0020833 k( 26) = ( 0.2314815 0.0566214 -0.4151382), wk = 0.0020833 k( 27) = ( 0.2407407 0.0588863 -0.4317437), wk = 0.0020833 k( 28) = ( 0.2500000 0.0611511 -0.4483492), wk = 0.0020833 k( 29) = ( 0.2592593 0.0634160 -0.4649548), wk = 0.0020833 k( 30) = ( 0.2685185 0.0656809 -0.4815603), wk = 0.0020833 k( 31) = ( 0.2777778 0.0679457 -0.4981658), wk = 0.0020833 k( 32) = ( 0.2870370 0.0702106 -0.5147713), wk = 0.0020833 k( 33) = ( 0.2962963 0.0724754 -0.5313769), wk = 0.0020833 k( 34) = ( 0.3055556 0.0747403 -0.5479824), wk = 0.0020833 k( 35) = ( 0.3148148 0.0770051 -0.5645879), wk = 0.0020833 k( 36) = ( 0.3240741 0.0792700 -0.5811934), wk = 0.0020833 k( 37) = ( 0.3333333 0.0815349 -0.5977990), wk = 0.0020833 k( 38) = ( 0.3425926 0.0837997 -0.6144045), wk = 0.0020833 k( 39) = ( 0.3518519 0.0860646 -0.6310100), wk = 0.0020833 k( 40) = ( 0.3611111 0.0883294 -0.6476156), wk = 0.0020833 k( 41) = ( 0.3703704 0.0905943 -0.6642211), wk = 0.0020833 k( 42) = ( 0.3796296 0.0928591 -0.6808266), wk = 0.0020833 k( 43) = ( 0.3888889 0.0951240 -0.6974321), wk = 0.0020833 k( 44) = ( 0.3981481 0.0973889 -0.7140377), wk = 0.0020833 k( 45) = ( 0.4074074 0.0996537 -0.7306432), wk = 0.0020833 k( 46) = ( 0.4166667 0.1019186 -0.7472487), wk = 0.0020833 k( 47) = ( 0.4259259 0.1041834 -0.7638543), wk = 0.0020833 k( 48) = ( 0.4351852 0.1064483 -0.7804598), wk = 0.0020833 k( 49) = ( 0.4444444 0.1087131 -0.7970653), wk = 0.0020833 k( 50) = ( 0.4537037 0.1109780 -0.8136708), wk = 0.0020833 k( 51) = ( 0.4629630 0.1132429 -0.8302764), wk = 0.0020833 k( 52) = ( 0.4722222 0.1155077 -0.8468819), wk = 0.0020833 k( 53) = ( 0.4814815 0.1177726 -0.8634874), wk = 0.0020833 k( 54) = ( 0.4907407 0.1200374 -0.8800929), wk = 0.0020833 k( 55) = ( 0.5000000 0.1223023 -0.8966985), wk = 0.0020833 k( 56) = ( 0.5000000 0.1223023 -0.8966985), wk = 0.0020833 k( 57) = ( 0.5150674 0.1259878 -0.8877942), wk = 0.0020833 k( 58) = ( 0.5301348 0.1296734 -0.8788899), wk = 0.0020833 k( 59) = ( 0.5301348 0.1296734 -0.8788899), wk = 0.0020833 k( 60) = ( 0.5294937 0.1295166 -0.8598112), wk = 0.0020833 k( 61) = ( 0.5288525 0.1293597 -0.8407325), wk = 0.0020833 k( 62) = ( 0.5282113 0.1292029 -0.8216538), wk = 0.0020833 k( 63) = ( 0.5275702 0.1290461 -0.8025751), wk = 0.0020833 k( 64) = ( 0.5269290 0.1288892 -0.7834965), wk = 0.0020833 k( 65) = ( 0.5262878 0.1287324 -0.7644177), wk = 0.0020833 k( 66) = ( 0.5256467 0.1285756 -0.7453391), wk = 0.0020833 k( 67) = ( 0.5250055 0.1284187 -0.7262604), wk = 0.0020833 k( 68) = ( 0.5243643 0.1282619 -0.7071817), wk = 0.0020833 k( 69) = ( 0.5237232 0.1281051 -0.6881030), wk = 0.0020833 k( 70) = ( 0.5230820 0.1279482 -0.6690243), wk = 0.0020833 k( 71) = ( 0.5224408 0.1277914 -0.6499456), wk = 0.0020833 k( 72) = ( 0.5217997 0.1276346 -0.6308669), wk = 0.0020833 k( 73) = ( 0.5211585 0.1274777 -0.6117882), wk = 0.0020833 k( 74) = ( 0.5205173 0.1273209 -0.5927095), wk = 0.0020833 k( 75) = ( 0.5198762 0.1271641 -0.5736308), wk = 0.0020833 k( 76) = ( 0.5192350 0.1270072 -0.5545522), wk = 0.0020833 k( 77) = ( 0.5185938 0.1268504 -0.5354735), wk = 0.0020833 k( 78) = ( 0.5179527 0.1266936 -0.5163948), wk = 0.0020833 k( 79) = ( 0.5173115 0.1265368 -0.4973161), wk = 0.0020833 k( 80) = ( 0.5166703 0.1263799 -0.4782374), wk = 0.0020833 k( 81) = ( 0.5160292 0.1262231 -0.4591587), wk = 0.0020833 k( 82) = ( 0.5153880 0.1260663 -0.4400800), wk = 0.0020833 k( 83) = ( 0.5147468 0.1259094 -0.4210013), wk = 0.0020833 k( 84) = ( 0.5141057 0.1257526 -0.4019226), wk = 0.0020833 k( 85) = ( 0.5134645 0.1255958 -0.3828440), wk = 0.0020833 k( 86) = ( 0.5128233 0.1254389 -0.3637652), wk = 0.0020833 k( 87) = ( 0.5121822 0.1252821 -0.3446866), wk = 0.0020833 k( 88) = ( 0.5115410 0.1251253 -0.3256079), wk = 0.0020833 k( 89) = ( 0.5108998 0.1249684 -0.3065292), wk = 0.0020833 k( 90) = ( 0.5102587 0.1248116 -0.2874505), wk = 0.0020833 k( 91) = ( 0.5096175 0.1246548 -0.2683718), wk = 0.0020833 k( 92) = ( 0.5089763 0.1244979 -0.2492931), wk = 0.0020833 k( 93) = ( 0.5083352 0.1243411 -0.2302144), wk = 0.0020833 k( 94) = ( 0.5076940 0.1241843 -0.2111357), wk = 0.0020833 k( 95) = ( 0.5070528 0.1240274 -0.1920570), wk = 0.0020833 k( 96) = ( 0.5064117 0.1238706 -0.1729783), wk = 0.0020833 k( 97) = ( 0.5057705 0.1237138 -0.1538997), wk = 0.0020833 k( 98) = ( 0.5051293 0.1235569 -0.1348210), wk = 0.0020833 k( 99) = ( 0.5044882 0.1234001 -0.1157423), wk = 0.0020833 k( 100) = ( 0.5038470 0.1232433 -0.0966636), wk = 0.0020833 k( 101) = ( 0.5032058 0.1230864 -0.0775849), wk = 0.0020833 k( 102) = ( 0.5025647 0.1229296 -0.0585062), wk = 0.0020833 k( 103) = ( 0.5019235 0.1227728 -0.0394275), wk = 0.0020833 k( 104) = ( 0.5012823 0.1226159 -0.0203488), wk = 0.0020833 k( 105) = ( 0.5006412 0.1224591 -0.0012701), wk = 0.0020833 k( 106) = ( 0.5000000 0.1223023 0.0178086), wk = 0.0020833 k( 107) = ( 0.5000000 0.1223023 0.0178086), wk = 0.0020833 k( 108) = ( 0.5045522 0.1036918 0.0178086), wk = 0.0020833 k( 109) = ( 0.5091044 0.0850812 0.0178086), wk = 0.0020833 k( 110) = ( 0.5136567 0.0664707 0.0178086), wk = 0.0020833 k( 111) = ( 0.5182089 0.0478601 0.0178086), wk = 0.0020833 k( 112) = ( 0.5227611 0.0292496 0.0178086), wk = 0.0020833 k( 113) = ( 0.5273133 0.0106391 0.0178086), wk = 0.0020833 k( 114) = ( 0.5318656 -0.0079715 0.0178086), wk = 0.0020833 k( 115) = ( 0.5364178 -0.0265820 0.0178086), wk = 0.0020833 k( 116) = ( 0.5409700 -0.0451925 0.0178086), wk = 0.0020833 k( 117) = ( 0.5455222 -0.0638031 0.0178086), wk = 0.0020833 k( 118) = ( 0.5500744 -0.0824136 0.0178086), wk = 0.0020833 k( 119) = ( 0.5546267 -0.1010242 0.0178086), wk = 0.0020833 k( 120) = ( 0.5591789 -0.1196347 0.0178086), wk = 0.0020833 k( 121) = ( 0.5637311 -0.1382452 0.0178086), wk = 0.0020833 k( 122) = ( 0.5682833 -0.1568558 0.0178086), wk = 0.0020833 k( 123) = ( 0.5728355 -0.1754663 0.0178086), wk = 0.0020833 k( 124) = ( 0.5773878 -0.1940769 0.0178086), wk = 0.0020833 k( 125) = ( 0.5819400 -0.2126874 0.0178086), wk = 0.0020833 k( 126) = ( 0.5864922 -0.2312979 0.0178086), wk = 0.0020833 k( 127) = ( 0.5910444 -0.2499084 0.0178086), wk = 0.0020833 k( 128) = ( 0.5955967 -0.2685190 0.0178086), wk = 0.0020833 k( 129) = ( 0.6001489 -0.2871295 0.0178086), wk = 0.0020833 k( 130) = ( 0.6047011 -0.3057401 0.0178086), wk = 0.0020833 k( 131) = ( 0.6092533 -0.3243506 0.0178086), wk = 0.0020833 k( 132) = ( 0.6138056 -0.3429611 0.0178086), wk = 0.0020833 k( 133) = ( 0.6183578 -0.3615717 0.0178086), wk = 0.0020833 k( 134) = ( 0.6229100 -0.3801822 0.0178086), wk = 0.0020833 k( 135) = ( 0.6274622 -0.3987927 0.0178086), wk = 0.0020833 k( 136) = ( 0.6320144 -0.4174033 0.0178086), wk = 0.0020833 k( 137) = ( 0.6365667 -0.4360138 0.0178086), wk = 0.0020833 k( 138) = ( 0.6411189 -0.4546244 0.0178086), wk = 0.0020833 k( 139) = ( 0.6456711 -0.4732349 0.0178086), wk = 0.0020833 k( 140) = ( 0.6502233 -0.4918454 0.0178086), wk = 0.0020833 k( 141) = ( 0.6547755 -0.5104559 0.0178086), wk = 0.0020833 k( 142) = ( 0.6593278 -0.5290665 0.0178086), wk = 0.0020833 k( 143) = ( 0.6638800 -0.5476770 0.0178086), wk = 0.0020833 k( 144) = ( 0.6684322 -0.5662876 0.0178086), wk = 0.0020833 k( 145) = ( 0.6729844 -0.5848981 0.0178086), wk = 0.0020833 k( 146) = ( 0.6775367 -0.6035086 0.0178086), wk = 0.0020833 k( 147) = ( 0.6820889 -0.6221192 0.0178086), wk = 0.0020833 k( 148) = ( 0.6866411 -0.6407297 0.0178086), wk = 0.0020833 k( 149) = ( 0.6911933 -0.6593402 0.0178086), wk = 0.0020833 k( 150) = ( 0.6957456 -0.6779508 0.0178086), wk = 0.0020833 k( 151) = ( 0.7002978 -0.6965613 0.0178086), wk = 0.0020833 k( 152) = ( 0.7048500 -0.7151719 0.0178086), wk = 0.0020833 k( 153) = ( 0.7094022 -0.7337824 0.0178086), wk = 0.0020833 k( 154) = ( 0.7139544 -0.7523929 0.0178086), wk = 0.0020833 k( 155) = ( 0.7185067 -0.7710035 0.0178086), wk = 0.0020833 k( 156) = ( 0.7230589 -0.7896140 0.0178086), wk = 0.0020833 k( 157) = ( 0.7276111 -0.8082245 0.0178086), wk = 0.0020833 k( 158) = ( 0.7321633 -0.8268351 0.0178086), wk = 0.0020833 k( 159) = ( 0.7367155 -0.8454456 0.0178086), wk = 0.0020833 k( 160) = ( 0.7412678 -0.8640561 0.0178086), wk = 0.0020833 k( 161) = ( 0.7458200 -0.8826667 0.0178086), wk = 0.0020833 k( 162) = ( 0.7503722 -0.9012772 0.0178086), wk = 0.0020833 k( 163) = ( 0.7549244 -0.9198878 0.0178086), wk = 0.0020833 k( 164) = ( 0.7594767 -0.9384983 0.0178086), wk = 0.0020833 k( 165) = ( 0.7640289 -0.9571089 0.0178086), wk = 0.0020833 k( 166) = ( 0.7685811 -0.9757194 0.0178086), wk = 0.0020833 k( 167) = ( 0.7731333 -0.9943299 0.0178086), wk = 0.0020833 k( 168) = ( 0.7776855 -1.0129404 0.0178086), wk = 0.0020833 k( 169) = ( 0.7822378 -1.0315510 0.0178086), wk = 0.0020833 k( 170) = ( 0.2177622 -0.8902623 0.9145070), wk = 0.0020833 k( 171) = ( 0.2132255 -0.8717152 0.9145070), wk = 0.0020833 k( 172) = ( 0.2086888 -0.8531681 0.9145070), wk = 0.0020833 k( 173) = ( 0.2041521 -0.8346209 0.9145070), wk = 0.0020833 k( 174) = ( 0.1996154 -0.8160738 0.9145070), wk = 0.0020833 k( 175) = ( 0.1950787 -0.7975267 0.9145070), wk = 0.0020833 k( 176) = ( 0.1905419 -0.7789795 0.9145070), wk = 0.0020833 k( 177) = ( 0.1860052 -0.7604324 0.9145070), wk = 0.0020833 k( 178) = ( 0.1814685 -0.7418853 0.9145070), wk = 0.0020833 k( 179) = ( 0.1769318 -0.7233381 0.9145070), wk = 0.0020833 k( 180) = ( 0.1723951 -0.7047910 0.9145070), wk = 0.0020833 k( 181) = ( 0.1678584 -0.6862439 0.9145070), wk = 0.0020833 k( 182) = ( 0.1633217 -0.6676967 0.9145070), wk = 0.0020833 k( 183) = ( 0.1587850 -0.6491496 0.9145070), wk = 0.0020833 k( 184) = ( 0.1542482 -0.6306025 0.9145070), wk = 0.0020833 k( 185) = ( 0.1497115 -0.6120553 0.9145070), wk = 0.0020833 k( 186) = ( 0.1451748 -0.5935082 0.9145070), wk = 0.0020833 k( 187) = ( 0.1406381 -0.5749611 0.9145070), wk = 0.0020833 k( 188) = ( 0.1361014 -0.5564139 0.9145070), wk = 0.0020833 k( 189) = ( 0.1315647 -0.5378668 0.9145070), wk = 0.0020833 k( 190) = ( 0.1270280 -0.5193197 0.9145070), wk = 0.0020833 k( 191) = ( 0.1224912 -0.5007725 0.9145070), wk = 0.0020833 k( 192) = ( 0.1179545 -0.4822254 0.9145070), wk = 0.0020833 k( 193) = ( 0.1134178 -0.4636783 0.9145070), wk = 0.0020833 k( 194) = ( 0.1088811 -0.4451311 0.9145070), wk = 0.0020833 k( 195) = ( 0.1043444 -0.4265840 0.9145070), wk = 0.0020833 k( 196) = ( 0.0998077 -0.4080369 0.9145070), wk = 0.0020833 k( 197) = ( 0.0952710 -0.3894897 0.9145070), wk = 0.0020833 k( 198) = ( 0.0907343 -0.3709426 0.9145070), wk = 0.0020833 k( 199) = ( 0.0861975 -0.3523955 0.9145070), wk = 0.0020833 k( 200) = ( 0.0816608 -0.3338483 0.9145070), wk = 0.0020833 k( 201) = ( 0.0771241 -0.3153012 0.9145070), wk = 0.0020833 k( 202) = ( 0.0725874 -0.2967541 0.9145070), wk = 0.0020833 k( 203) = ( 0.0680507 -0.2782070 0.9145070), wk = 0.0020833 k( 204) = ( 0.0635140 -0.2596598 0.9145070), wk = 0.0020833 k( 205) = ( 0.0589773 -0.2411127 0.9145070), wk = 0.0020833 k( 206) = ( 0.0544406 -0.2225656 0.9145070), wk = 0.0020833 k( 207) = ( 0.0499038 -0.2040184 0.9145070), wk = 0.0020833 k( 208) = ( 0.0453671 -0.1854713 0.9145070), wk = 0.0020833 k( 209) = ( 0.0408304 -0.1669242 0.9145070), wk = 0.0020833 k( 210) = ( 0.0362937 -0.1483770 0.9145070), wk = 0.0020833 k( 211) = ( 0.0317570 -0.1298299 0.9145070), wk = 0.0020833 k( 212) = ( 0.0272203 -0.1112828 0.9145070), wk = 0.0020833 k( 213) = ( 0.0226836 -0.0927357 0.9145070), wk = 0.0020833 k( 214) = ( 0.0181468 -0.0741885 0.9145070), wk = 0.0020833 k( 215) = ( 0.0136101 -0.0556414 0.9145070), wk = 0.0020833 k( 216) = ( 0.0090734 -0.0370943 0.9145070), wk = 0.0020833 k( 217) = ( 0.0045367 -0.0185471 0.9145070), wk = 0.0020833 k( 218) = ( 0.0000000 0.0000000 0.9145070), wk = 0.0020833 k( 219) = ( 0.0000000 0.0000000 0.9145070), wk = 0.0020833 k( 220) = ( 0.0187946 0.0045972 0.9145070), wk = 0.0020833 k( 221) = ( 0.0375892 0.0091945 0.9145070), wk = 0.0020833 k( 222) = ( 0.0563838 0.0137917 0.9145070), wk = 0.0020833 k( 223) = ( 0.0751784 0.0183890 0.9145070), wk = 0.0020833 k( 224) = ( 0.0939730 0.0229862 0.9145070), wk = 0.0020833 k( 225) = ( 0.1127676 0.0275835 0.9145070), wk = 0.0020833 k( 226) = ( 0.1315622 0.0321807 0.9145070), wk = 0.0020833 k( 227) = ( 0.1503569 0.0367780 0.9145070), wk = 0.0020833 k( 228) = ( 0.1691515 0.0413752 0.9145070), wk = 0.0020833 k( 229) = ( 0.1879461 0.0459725 0.9145070), wk = 0.0020833 k( 230) = ( 0.2067407 0.0505697 0.9145070), wk = 0.0020833 k( 231) = ( 0.2255353 0.0551670 0.9145070), wk = 0.0020833 k( 232) = ( 0.2443299 0.0597642 0.9145070), wk = 0.0020833 k( 233) = ( 0.2631245 0.0643615 0.9145070), wk = 0.0020833 k( 234) = ( 0.2819191 0.0689587 0.9145070), wk = 0.0020833 k( 235) = ( 0.3007137 0.0735559 0.9145070), wk = 0.0020833 k( 236) = ( 0.3195083 0.0781532 0.9145070), wk = 0.0020833 k( 237) = ( 0.3383029 0.0827504 0.9145070), wk = 0.0020833 k( 238) = ( 0.3570975 0.0873477 0.9145070), wk = 0.0020833 k( 239) = ( 0.3758921 0.0919449 0.9145070), wk = 0.0020833 k( 240) = ( 0.3946867 0.0965422 0.9145070), wk = 0.0020833 k( 241) = ( 0.4134814 0.1011394 0.9145070), wk = 0.0020833 k( 242) = ( 0.4322760 0.1057367 0.9145070), wk = 0.0020833 k( 243) = ( 0.4510706 0.1103339 0.9145070), wk = 0.0020833 k( 244) = ( 0.4698652 0.1149312 0.9145070), wk = 0.0020833 k( 245) = ( 0.5000000 0.1223023 -0.8966985), wk = 0.0020833 k( 246) = ( 0.5045155 0.1038420 -0.8966985), wk = 0.0020833 k( 247) = ( 0.5090309 0.0853818 -0.8966985), wk = 0.0020833 k( 248) = ( 0.5135464 0.0669215 -0.8966985), wk = 0.0020833 k( 249) = ( 0.5180619 0.0484612 -0.8966985), wk = 0.0020833 k( 250) = ( 0.5225773 0.0300009 -0.8966985), wk = 0.0020833 k( 251) = ( 0.5270928 0.0115407 -0.8966985), wk = 0.0020833 k( 252) = ( 0.5316083 -0.0069196 -0.8966985), wk = 0.0020833 k( 253) = ( 0.5361237 -0.0253798 -0.8966985), wk = 0.0020833 k( 254) = ( 0.5406392 -0.0438401 -0.8966985), wk = 0.0020833 k( 255) = ( 0.5451546 -0.0623004 -0.8966985), wk = 0.0020833 k( 256) = ( 0.5496701 -0.0807606 -0.8966985), wk = 0.0020833 k( 257) = ( 0.5541856 -0.0992209 -0.8966985), wk = 0.0020833 k( 258) = ( 0.5587011 -0.1176812 -0.8966985), wk = 0.0020833 k( 259) = ( 0.5632165 -0.1361414 -0.8966985), wk = 0.0020833 k( 260) = ( 0.5677320 -0.1546017 -0.8966985), wk = 0.0020833 k( 261) = ( 0.5722474 -0.1730620 -0.8966985), wk = 0.0020833 k( 262) = ( 0.5767629 -0.1915222 -0.8966985), wk = 0.0020833 k( 263) = ( 0.5812784 -0.2099825 -0.8966985), wk = 0.0020833 k( 264) = ( 0.5857938 -0.2284428 -0.8966985), wk = 0.0020833 k( 265) = ( 0.5903093 -0.2469030 -0.8966985), wk = 0.0020833 k( 266) = ( 0.5948248 -0.2653633 -0.8966985), wk = 0.0020833 k( 267) = ( 0.5993402 -0.2838235 -0.8966985), wk = 0.0020833 k( 268) = ( 0.6038557 -0.3022838 -0.8966985), wk = 0.0020833 k( 269) = ( 0.6083712 -0.3207441 -0.8966985), wk = 0.0020833 k( 270) = ( 0.6128866 -0.3392044 -0.8966985), wk = 0.0020833 k( 271) = ( 0.6174021 -0.3576646 -0.8966985), wk = 0.0020833 k( 272) = ( 0.6219176 -0.3761249 -0.8966985), wk = 0.0020833 k( 273) = ( 0.6264330 -0.3945852 -0.8966985), wk = 0.0020833 k( 274) = ( 0.6309485 -0.4130454 -0.8966985), wk = 0.0020833 k( 275) = ( 0.6354640 -0.4315057 -0.8966985), wk = 0.0020833 k( 276) = ( 0.6399794 -0.4499659 -0.8966985), wk = 0.0020833 k( 277) = ( 0.6444949 -0.4684262 -0.8966985), wk = 0.0020833 k( 278) = ( 0.6490103 -0.4868865 -0.8966985), wk = 0.0020833 k( 279) = ( 0.6535258 -0.5053468 -0.8966985), wk = 0.0020833 k( 280) = ( 0.6580413 -0.5238070 -0.8966985), wk = 0.0020833 k( 281) = ( 0.6625568 -0.5422673 -0.8966985), wk = 0.0020833 k( 282) = ( 0.6670722 -0.5607275 -0.8966985), wk = 0.0020833 k( 283) = ( 0.6715877 -0.5791878 -0.8966985), wk = 0.0020833 k( 284) = ( 0.6761031 -0.5976481 -0.8966985), wk = 0.0020833 k( 285) = ( 0.6806186 -0.6161083 -0.8966985), wk = 0.0020833 k( 286) = ( 0.6851341 -0.6345686 -0.8966985), wk = 0.0020833 k( 287) = ( 0.6896495 -0.6530289 -0.8966985), wk = 0.0020833 k( 288) = ( 0.3103505 -1.2687844 0.0000000), wk = 0.0020833 k( 289) = ( 0.3057865 -1.2501258 0.0000000), wk = 0.0020833 k( 290) = ( 0.3012225 -1.2314672 0.0000000), wk = 0.0020833 k( 291) = ( 0.2966585 -1.2128086 0.0000000), wk = 0.0020833 k( 292) = ( 0.2920946 -1.1941500 0.0000000), wk = 0.0020833 k( 293) = ( 0.2875306 -1.1754914 0.0000000), wk = 0.0020833 k( 294) = ( 0.2829666 -1.1568329 0.0000000), wk = 0.0020833 k( 295) = ( 0.2784026 -1.1381743 0.0000000), wk = 0.0020833 k( 296) = ( 0.2738386 -1.1195157 0.0000000), wk = 0.0020833 k( 297) = ( 0.2692747 -1.1008571 0.0000000), wk = 0.0020833 k( 298) = ( 0.2647107 -1.0821985 0.0000000), wk = 0.0020833 k( 299) = ( 0.2601467 -1.0635399 0.0000000), wk = 0.0020833 k( 300) = ( 0.2555827 -1.0448813 0.0000000), wk = 0.0020833 k( 301) = ( 0.2510188 -1.0262227 0.0000000), wk = 0.0020833 k( 302) = ( 0.2464548 -1.0075641 0.0000000), wk = 0.0020833 k( 303) = ( 0.2418908 -0.9889055 0.0000000), wk = 0.0020833 k( 304) = ( 0.2373268 -0.9702469 0.0000000), wk = 0.0020833 k( 305) = ( 0.2327628 -0.9515883 0.0000000), wk = 0.0020833 k( 306) = ( 0.2281989 -0.9329297 0.0000000), wk = 0.0020833 k( 307) = ( 0.2236349 -0.9142711 0.0000000), wk = 0.0020833 k( 308) = ( 0.2190709 -0.8956125 0.0000000), wk = 0.0020833 k( 309) = ( 0.2145069 -0.8769540 0.0000000), wk = 0.0020833 k( 310) = ( 0.2099430 -0.8582953 0.0000000), wk = 0.0020833 k( 311) = ( 0.2053790 -0.8396367 0.0000000), wk = 0.0020833 k( 312) = ( 0.2008150 -0.8209781 0.0000000), wk = 0.0020833 k( 313) = ( 0.1962510 -0.8023196 0.0000000), wk = 0.0020833 k( 314) = ( 0.1916870 -0.7836610 0.0000000), wk = 0.0020833 k( 315) = ( 0.1871231 -0.7650024 0.0000000), wk = 0.0020833 k( 316) = ( 0.1825591 -0.7463438 0.0000000), wk = 0.0020833 k( 317) = ( 0.1779951 -0.7276852 0.0000000), wk = 0.0020833 k( 318) = ( 0.1734311 -0.7090266 0.0000000), wk = 0.0020833 k( 319) = ( 0.1688672 -0.6903680 0.0000000), wk = 0.0020833 k( 320) = ( 0.1643032 -0.6717094 0.0000000), wk = 0.0020833 k( 321) = ( 0.1597392 -0.6530508 0.0000000), wk = 0.0020833 k( 322) = ( 0.1551752 -0.6343922 0.0000000), wk = 0.0020833 k( 323) = ( 0.1506113 -0.6157336 0.0000000), wk = 0.0020833 k( 324) = ( 0.1460473 -0.5970750 0.0000000), wk = 0.0020833 k( 325) = ( 0.1414833 -0.5784164 0.0000000), wk = 0.0020833 k( 326) = ( 0.1369193 -0.5597578 0.0000000), wk = 0.0020833 k( 327) = ( 0.1323553 -0.5410992 0.0000000), wk = 0.0020833 k( 328) = ( 0.1277914 -0.5224407 0.0000000), wk = 0.0020833 k( 329) = ( 0.1232274 -0.5037821 0.0000000), wk = 0.0020833 k( 330) = ( 0.1186634 -0.4851234 0.0000000), wk = 0.0020833 k( 331) = ( 0.1140994 -0.4664648 0.0000000), wk = 0.0020833 k( 332) = ( 0.1095355 -0.4478063 0.0000000), wk = 0.0020833 k( 333) = ( 0.1049715 -0.4291477 0.0000000), wk = 0.0020833 k( 334) = ( 0.1004075 -0.4104891 0.0000000), wk = 0.0020833 k( 335) = ( 0.0958435 -0.3918305 0.0000000), wk = 0.0020833 k( 336) = ( 0.0912796 -0.3731719 0.0000000), wk = 0.0020833 k( 337) = ( 0.0867156 -0.3545133 0.0000000), wk = 0.0020833 k( 338) = ( 0.0821516 -0.3358547 0.0000000), wk = 0.0020833 k( 339) = ( 0.0775876 -0.3171961 0.0000000), wk = 0.0020833 k( 340) = ( 0.0730236 -0.2985375 0.0000000), wk = 0.0020833 k( 341) = ( 0.0684597 -0.2798789 0.0000000), wk = 0.0020833 k( 342) = ( 0.0638957 -0.2612203 0.0000000), wk = 0.0020833 k( 343) = ( 0.0593317 -0.2425617 0.0000000), wk = 0.0020833 k( 344) = ( 0.0547677 -0.2239031 0.0000000), wk = 0.0020833 k( 345) = ( 0.0502037 -0.2052445 0.0000000), wk = 0.0020833 k( 346) = ( 0.0456398 -0.1865859 0.0000000), wk = 0.0020833 k( 347) = ( 0.0410758 -0.1679274 0.0000000), wk = 0.0020833 k( 348) = ( 0.0365118 -0.1492688 0.0000000), wk = 0.0020833 k( 349) = ( 0.0319478 -0.1306102 0.0000000), wk = 0.0020833 k( 350) = ( 0.0273839 -0.1119515 0.0000000), wk = 0.0020833 k( 351) = ( 0.0228199 -0.0932930 0.0000000), wk = 0.0020833 k( 352) = ( 0.0182559 -0.0746344 0.0000000), wk = 0.0020833 k( 353) = ( 0.0136919 -0.0559758 0.0000000), wk = 0.0020833 k( 354) = ( 0.0091279 -0.0373172 0.0000000), wk = 0.0020833 k( 355) = ( 0.0045640 -0.0186586 0.0000000), wk = 0.0020833 k( 356) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 357) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 358) = ( 0.0081967 -0.0157526 -0.0073500), wk = 0.0020833 k( 359) = ( 0.0163934 -0.0315051 -0.0147000), wk = 0.0020833 k( 360) = ( 0.0245902 -0.0472577 -0.0220500), wk = 0.0020833 k( 361) = ( 0.0327869 -0.0630103 -0.0294000), wk = 0.0020833 k( 362) = ( 0.0409836 -0.0787628 -0.0367499), wk = 0.0020833 k( 363) = ( 0.0491803 -0.0945154 -0.0440999), wk = 0.0020833 k( 364) = ( 0.0573770 -0.1102680 -0.0514499), wk = 0.0020833 k( 365) = ( 0.0655738 -0.1260205 -0.0587999), wk = 0.0020833 k( 366) = ( 0.0737705 -0.1417731 -0.0661499), wk = 0.0020833 k( 367) = ( 0.0819672 -0.1575257 -0.0734999), wk = 0.0020833 k( 368) = ( 0.0901639 -0.1732782 -0.0808499), wk = 0.0020833 k( 369) = ( 0.0983607 -0.1890308 -0.0881999), wk = 0.0020833 k( 370) = ( 0.1065574 -0.2047834 -0.0955498), wk = 0.0020833 k( 371) = ( 0.1147541 -0.2205360 -0.1028998), wk = 0.0020833 k( 372) = ( 0.1229508 -0.2362885 -0.1102498), wk = 0.0020833 k( 373) = ( 0.1311475 -0.2520411 -0.1175998), wk = 0.0020833 k( 374) = ( 0.1393443 -0.2677937 -0.1249498), wk = 0.0020833 k( 375) = ( 0.1475410 -0.2835462 -0.1322998), wk = 0.0020833 k( 376) = ( 0.1557377 -0.2992988 -0.1396498), wk = 0.0020833 k( 377) = ( 0.1639344 -0.3150514 -0.1469998), wk = 0.0020833 k( 378) = ( 0.1721312 -0.3308039 -0.1543497), wk = 0.0020833 k( 379) = ( 0.1803279 -0.3465565 -0.1616997), wk = 0.0020833 k( 380) = ( 0.1885246 -0.3623091 -0.1690497), wk = 0.0020833 k( 381) = ( 0.1967213 -0.3780616 -0.1763997), wk = 0.0020833 k( 382) = ( 0.2049180 -0.3938142 -0.1837497), wk = 0.0020833 k( 383) = ( 0.2131147 -0.4095668 -0.1910997), wk = 0.0020833 k( 384) = ( 0.2213115 -0.4253193 -0.1984497), wk = 0.0020833 k( 385) = ( 0.2295082 -0.4410719 -0.2057997), wk = 0.0020833 k( 386) = ( 0.2377049 -0.4568245 -0.2131496), wk = 0.0020833 k( 387) = ( 0.2459016 -0.4725770 -0.2204996), wk = 0.0020833 k( 388) = ( 0.2540984 -0.4883296 -0.2278496), wk = 0.0020833 k( 389) = ( 0.2622951 -0.5040822 -0.2351996), wk = 0.0020833 k( 390) = ( 0.2704918 -0.5198347 -0.2425496), wk = 0.0020833 k( 391) = ( 0.2786885 -0.5355873 -0.2498996), wk = 0.0020833 k( 392) = ( 0.2868852 -0.5513399 -0.2572496), wk = 0.0020833 k( 393) = ( 0.2950820 -0.5670925 -0.2645996), wk = 0.0020833 k( 394) = ( 0.3032787 -0.5828450 -0.2719495), wk = 0.0020833 k( 395) = ( 0.3114754 -0.5985976 -0.2792995), wk = 0.0020833 k( 396) = ( 0.3196721 -0.6143501 -0.2866495), wk = 0.0020833 k( 397) = ( 0.3278688 -0.6301027 -0.2939995), wk = 0.0020833 k( 398) = ( 0.3360656 -0.6458553 -0.3013495), wk = 0.0020833 k( 399) = ( 0.3442623 -0.6616079 -0.3086995), wk = 0.0020833 k( 400) = ( 0.3524590 -0.6773604 -0.3160495), wk = 0.0020833 k( 401) = ( 0.3606557 -0.6931130 -0.3233994), wk = 0.0020833 k( 402) = ( 0.3688525 -0.7088656 -0.3307494), wk = 0.0020833 k( 403) = ( 0.3770492 -0.7246181 -0.3380994), wk = 0.0020833 k( 404) = ( 0.3852459 -0.7403707 -0.3454494), wk = 0.0020833 k( 405) = ( 0.3934426 -0.7561233 -0.3527994), wk = 0.0020833 k( 406) = ( 0.4016393 -0.7718758 -0.3601494), wk = 0.0020833 k( 407) = ( 0.4098361 -0.7876284 -0.3674994), wk = 0.0020833 k( 408) = ( 0.4180328 -0.8033810 -0.3748494), wk = 0.0020833 k( 409) = ( 0.4262295 -0.8191335 -0.3821993), wk = 0.0020833 k( 410) = ( 0.4344262 -0.8348861 -0.3895493), wk = 0.0020833 k( 411) = ( 0.4426230 -0.8506387 -0.3968993), wk = 0.0020833 k( 412) = ( 0.4508197 -0.8663912 -0.4042493), wk = 0.0020833 k( 413) = ( 0.4590164 -0.8821438 -0.4115993), wk = 0.0020833 k( 414) = ( 0.4672131 -0.8978964 -0.4189493), wk = 0.0020833 k( 415) = ( 0.4754098 -0.9136490 -0.4262993), wk = 0.0020833 k( 416) = ( 0.4836066 -0.9294015 -0.4336493), wk = 0.0020833 k( 417) = ( 0.4918033 -0.9451541 -0.4409992), wk = 0.0020833 k( 418) = ( 0.5000000 -0.9609066 -0.4483492), wk = 0.0020833 k( 419) = ( 0.5000000 -0.9609066 0.4661578), wk = 0.0020833 k( 420) = ( 0.4918033 -0.9451541 0.4585159), wk = 0.0020833 k( 421) = ( 0.4836066 -0.9294015 0.4508739), wk = 0.0020833 k( 422) = ( 0.4754098 -0.9136490 0.4432320), wk = 0.0020833 k( 423) = ( 0.4672131 -0.8978964 0.4355901), wk = 0.0020833 k( 424) = ( 0.4590164 -0.8821438 0.4279481), wk = 0.0020833 k( 425) = ( 0.4508197 -0.8663912 0.4203062), wk = 0.0020833 k( 426) = ( 0.4426230 -0.8506387 0.4126643), wk = 0.0020833 k( 427) = ( 0.4344262 -0.8348861 0.4050224), wk = 0.0020833 k( 428) = ( 0.4262295 -0.8191335 0.3973804), wk = 0.0020833 k( 429) = ( 0.4180328 -0.8033810 0.3897385), wk = 0.0020833 k( 430) = ( 0.4098361 -0.7876284 0.3820966), wk = 0.0020833 k( 431) = ( 0.4016393 -0.7718758 0.3744546), wk = 0.0020833 k( 432) = ( 0.3934426 -0.7561233 0.3668127), wk = 0.0020833 k( 433) = ( 0.3852459 -0.7403707 0.3591708), wk = 0.0020833 k( 434) = ( 0.3770492 -0.7246181 0.3515288), wk = 0.0020833 k( 435) = ( 0.3688525 -0.7088656 0.3438869), wk = 0.0020833 k( 436) = ( 0.3606557 -0.6931130 0.3362450), wk = 0.0020833 k( 437) = ( 0.3524590 -0.6773604 0.3286030), wk = 0.0020833 k( 438) = ( 0.3442623 -0.6616079 0.3209611), wk = 0.0020833 k( 439) = ( 0.3360656 -0.6458553 0.3133192), wk = 0.0020833 k( 440) = ( 0.3278688 -0.6301027 0.3056772), wk = 0.0020833 k( 441) = ( 0.3196721 -0.6143501 0.2980353), wk = 0.0020833 k( 442) = ( 0.3114754 -0.5985976 0.2903934), wk = 0.0020833 k( 443) = ( 0.3032787 -0.5828450 0.2827515), wk = 0.0020833 k( 444) = ( 0.2950820 -0.5670925 0.2751095), wk = 0.0020833 k( 445) = ( 0.2868852 -0.5513399 0.2674676), wk = 0.0020833 k( 446) = ( 0.2786885 -0.5355873 0.2598257), wk = 0.0020833 k( 447) = ( 0.2704918 -0.5198347 0.2521837), wk = 0.0020833 k( 448) = ( 0.2622951 -0.5040822 0.2445418), wk = 0.0020833 k( 449) = ( 0.2540984 -0.4883296 0.2368999), wk = 0.0020833 k( 450) = ( 0.2459016 -0.4725770 0.2292579), wk = 0.0020833 k( 451) = ( 0.2377049 -0.4568245 0.2216160), wk = 0.0020833 k( 452) = ( 0.2295082 -0.4410719 0.2139741), wk = 0.0020833 k( 453) = ( 0.2213115 -0.4253193 0.2063321), wk = 0.0020833 k( 454) = ( 0.2131147 -0.4095668 0.1986902), wk = 0.0020833 k( 455) = ( 0.2049180 -0.3938142 0.1910483), wk = 0.0020833 k( 456) = ( 0.1967213 -0.3780616 0.1834063), wk = 0.0020833 k( 457) = ( 0.1885246 -0.3623091 0.1757644), wk = 0.0020833 k( 458) = ( 0.1803279 -0.3465565 0.1681225), wk = 0.0020833 k( 459) = ( 0.1721312 -0.3308039 0.1604806), wk = 0.0020833 k( 460) = ( 0.1639344 -0.3150514 0.1528386), wk = 0.0020833 k( 461) = ( 0.1557377 -0.2992988 0.1451967), wk = 0.0020833 k( 462) = ( 0.1475410 -0.2835462 0.1375548), wk = 0.0020833 k( 463) = ( 0.1393443 -0.2677937 0.1299128), wk = 0.0020833 k( 464) = ( 0.1311475 -0.2520411 0.1222709), wk = 0.0020833 k( 465) = ( 0.1229508 -0.2362885 0.1146290), wk = 0.0020833 k( 466) = ( 0.1147541 -0.2205360 0.1069870), wk = 0.0020833 k( 467) = ( 0.1065574 -0.2047834 0.0993451), wk = 0.0020833 k( 468) = ( 0.0983607 -0.1890308 0.0917032), wk = 0.0020833 k( 469) = ( 0.0901639 -0.1732782 0.0840612), wk = 0.0020833 k( 470) = ( 0.0819672 -0.1575257 0.0764193), wk = 0.0020833 k( 471) = ( 0.0737705 -0.1417731 0.0687774), wk = 0.0020833 k( 472) = ( 0.0655738 -0.1260205 0.0611354), wk = 0.0020833 k( 473) = ( 0.0573770 -0.1102680 0.0534935), wk = 0.0020833 k( 474) = ( 0.0491803 -0.0945154 0.0458516), wk = 0.0020833 k( 475) = ( 0.0409836 -0.0787628 0.0382097), wk = 0.0020833 k( 476) = ( 0.0327869 -0.0630103 0.0305677), wk = 0.0020833 k( 477) = ( 0.0245902 -0.0472577 0.0229258), wk = 0.0020833 k( 478) = ( 0.0163934 -0.0315051 0.0152839), wk = 0.0020833 k( 479) = ( 0.0081967 -0.0157526 0.0076419), wk = 0.0020833 k( 480) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 2) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0020833 k( 3) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0020833 k( 4) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0020833 k( 5) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0020833 k( 6) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0020833 k( 7) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0020833 k( 8) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0020833 k( 9) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0020833 k( 10) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0020833 k( 11) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0020833 k( 12) = ( 0.1018518 0.1018519 -0.0000000), wk = 0.0020833 k( 13) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0020833 k( 14) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0020833 k( 15) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0020833 k( 16) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0020833 k( 17) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0020833 k( 18) = ( 0.1574074 0.1574074 0.0000000), wk = 0.0020833 k( 19) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0020833 k( 20) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0020833 k( 21) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0020833 k( 22) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0020833 k( 23) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0020833 k( 24) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0020833 k( 25) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0020833 k( 26) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0020833 k( 27) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0020833 k( 28) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020833 k( 29) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0020833 k( 30) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0020833 k( 31) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0020833 k( 32) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0020833 k( 33) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0020833 k( 34) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0020833 k( 35) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0020833 k( 36) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0020833 k( 37) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020833 k( 38) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0020833 k( 39) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0020833 k( 40) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0020833 k( 41) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0020833 k( 42) = ( 0.3796296 0.3796296 0.0000000), wk = 0.0020833 k( 43) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0020833 k( 44) = ( 0.3981481 0.3981482 -0.0000000), wk = 0.0020833 k( 45) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0020833 k( 46) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0020833 k( 47) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0020833 k( 48) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0020833 k( 49) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0020833 k( 50) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0020833 k( 51) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0020833 k( 52) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0020833 k( 53) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0020833 k( 54) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0020833 k( 55) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020833 k( 56) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020833 k( 57) = ( 0.5150674 0.5150674 0.0196423), wk = 0.0020833 k( 58) = ( 0.5301348 0.5301348 0.0392847), wk = 0.0020833 k( 59) = ( 0.5301348 0.5301348 0.0392847), wk = 0.0020833 k( 60) = ( 0.5294937 0.5294937 0.0490872), wk = 0.0020833 k( 61) = ( 0.5288525 0.5288525 0.0588896), wk = 0.0020833 k( 62) = ( 0.5282113 0.5282113 0.0686921), wk = 0.0020833 k( 63) = ( 0.5275702 0.5275702 0.0784945), wk = 0.0020833 k( 64) = ( 0.5269290 0.5269290 0.0882970), wk = 0.0020833 k( 65) = ( 0.5262878 0.5262878 0.0980994), wk = 0.0020833 k( 66) = ( 0.5256467 0.5256467 0.1079019), wk = 0.0020833 k( 67) = ( 0.5250055 0.5250055 0.1177043), wk = 0.0020833 k( 68) = ( 0.5243643 0.5243643 0.1275068), wk = 0.0020833 k( 69) = ( 0.5237232 0.5237232 0.1373092), wk = 0.0020833 k( 70) = ( 0.5230820 0.5230820 0.1471117), wk = 0.0020833 k( 71) = ( 0.5224408 0.5224408 0.1569141), wk = 0.0020833 k( 72) = ( 0.5217997 0.5217997 0.1667166), wk = 0.0020833 k( 73) = ( 0.5211585 0.5211585 0.1765190), wk = 0.0020833 k( 74) = ( 0.5205173 0.5205173 0.1863215), wk = 0.0020833 k( 75) = ( 0.5198762 0.5198762 0.1961239), wk = 0.0020833 k( 76) = ( 0.5192350 0.5192350 0.2059264), wk = 0.0020833 k( 77) = ( 0.5185938 0.5185938 0.2157289), wk = 0.0020833 k( 78) = ( 0.5179527 0.5179527 0.2255313), wk = 0.0020833 k( 79) = ( 0.5173115 0.5173115 0.2353338), wk = 0.0020833 k( 80) = ( 0.5166703 0.5166703 0.2451362), wk = 0.0020833 k( 81) = ( 0.5160292 0.5160292 0.2549387), wk = 0.0020833 k( 82) = ( 0.5153880 0.5153880 0.2647411), wk = 0.0020833 k( 83) = ( 0.5147468 0.5147468 0.2745436), wk = 0.0020833 k( 84) = ( 0.5141057 0.5141057 0.2843460), wk = 0.0020833 k( 85) = ( 0.5134645 0.5134645 0.2941485), wk = 0.0020833 k( 86) = ( 0.5128233 0.5128233 0.3039509), wk = 0.0020833 k( 87) = ( 0.5121822 0.5121822 0.3137534), wk = 0.0020833 k( 88) = ( 0.5115410 0.5115410 0.3235558), wk = 0.0020833 k( 89) = ( 0.5108998 0.5108998 0.3333583), wk = 0.0020833 k( 90) = ( 0.5102587 0.5102587 0.3431608), wk = 0.0020833 k( 91) = ( 0.5096175 0.5096175 0.3529632), wk = 0.0020833 k( 92) = ( 0.5089763 0.5089763 0.3627656), wk = 0.0020833 k( 93) = ( 0.5083352 0.5083352 0.3725681), wk = 0.0020833 k( 94) = ( 0.5076940 0.5076940 0.3823706), wk = 0.0020833 k( 95) = ( 0.5070528 0.5070528 0.3921730), wk = 0.0020833 k( 96) = ( 0.5064117 0.5064117 0.4019755), wk = 0.0020833 k( 97) = ( 0.5057705 0.5057705 0.4117779), wk = 0.0020833 k( 98) = ( 0.5051293 0.5051293 0.4215804), wk = 0.0020833 k( 99) = ( 0.5044882 0.5044882 0.4313828), wk = 0.0020833 k( 100) = ( 0.5038470 0.5038470 0.4411853), wk = 0.0020833 k( 101) = ( 0.5032058 0.5032058 0.4509877), wk = 0.0020833 k( 102) = ( 0.5025647 0.5025647 0.4607902), wk = 0.0020833 k( 103) = ( 0.5019235 0.5019235 0.4705926), wk = 0.0020833 k( 104) = ( 0.5012823 0.5012823 0.4803951), wk = 0.0020833 k( 105) = ( 0.5006412 0.5006412 0.4901976), wk = 0.0020833 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020833 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020833 k( 108) = ( 0.5045522 0.4954478 0.5000000), wk = 0.0020833 k( 109) = ( 0.5091044 0.4908956 0.5000000), wk = 0.0020833 k( 110) = ( 0.5136567 0.4863433 0.5000000), wk = 0.0020833 k( 111) = ( 0.5182089 0.4817911 0.5000000), wk = 0.0020833 k( 112) = ( 0.5227611 0.4772389 0.5000000), wk = 0.0020833 k( 113) = ( 0.5273133 0.4726867 0.5000000), wk = 0.0020833 k( 114) = ( 0.5318656 0.4681344 0.5000000), wk = 0.0020833 k( 115) = ( 0.5364178 0.4635822 0.5000000), wk = 0.0020833 k( 116) = ( 0.5409700 0.4590300 0.5000000), wk = 0.0020833 k( 117) = ( 0.5455222 0.4544778 0.5000000), wk = 0.0020833 k( 118) = ( 0.5500744 0.4499256 0.5000000), wk = 0.0020833 k( 119) = ( 0.5546267 0.4453733 0.5000000), wk = 0.0020833 k( 120) = ( 0.5591789 0.4408211 0.5000000), wk = 0.0020833 k( 121) = ( 0.5637311 0.4362689 0.5000000), wk = 0.0020833 k( 122) = ( 0.5682833 0.4317167 0.5000000), wk = 0.0020833 k( 123) = ( 0.5728355 0.4271645 0.5000000), wk = 0.0020833 k( 124) = ( 0.5773878 0.4226122 0.5000000), wk = 0.0020833 k( 125) = ( 0.5819400 0.4180600 0.5000000), wk = 0.0020833 k( 126) = ( 0.5864922 0.4135078 0.5000000), wk = 0.0020833 k( 127) = ( 0.5910444 0.4089556 0.5000000), wk = 0.0020833 k( 128) = ( 0.5955967 0.4044033 0.5000000), wk = 0.0020833 k( 129) = ( 0.6001489 0.3998511 0.5000000), wk = 0.0020833 k( 130) = ( 0.6047011 0.3952989 0.5000000), wk = 0.0020833 k( 131) = ( 0.6092533 0.3907467 0.5000000), wk = 0.0020833 k( 132) = ( 0.6138056 0.3861945 0.5000000), wk = 0.0020833 k( 133) = ( 0.6183578 0.3816422 0.5000000), wk = 0.0020833 k( 134) = ( 0.6229100 0.3770900 0.5000000), wk = 0.0020833 k( 135) = ( 0.6274622 0.3725378 0.5000000), wk = 0.0020833 k( 136) = ( 0.6320144 0.3679856 0.5000000), wk = 0.0020833 k( 137) = ( 0.6365667 0.3634333 0.5000000), wk = 0.0020833 k( 138) = ( 0.6411189 0.3588811 0.5000000), wk = 0.0020833 k( 139) = ( 0.6456711 0.3543289 0.5000000), wk = 0.0020833 k( 140) = ( 0.6502233 0.3497767 0.5000000), wk = 0.0020833 k( 141) = ( 0.6547755 0.3452245 0.5000000), wk = 0.0020833 k( 142) = ( 0.6593278 0.3406722 0.5000000), wk = 0.0020833 k( 143) = ( 0.6638800 0.3361200 0.5000000), wk = 0.0020833 k( 144) = ( 0.6684322 0.3315678 0.5000000), wk = 0.0020833 k( 145) = ( 0.6729844 0.3270156 0.5000000), wk = 0.0020833 k( 146) = ( 0.6775367 0.3224633 0.5000000), wk = 0.0020833 k( 147) = ( 0.6820889 0.3179111 0.5000000), wk = 0.0020833 k( 148) = ( 0.6866411 0.3133589 0.5000000), wk = 0.0020833 k( 149) = ( 0.6911933 0.3088067 0.5000000), wk = 0.0020833 k( 150) = ( 0.6957456 0.3042545 0.5000000), wk = 0.0020833 k( 151) = ( 0.7002978 0.2997022 0.5000000), wk = 0.0020833 k( 152) = ( 0.7048500 0.2951500 0.5000000), wk = 0.0020833 k( 153) = ( 0.7094022 0.2905978 0.5000000), wk = 0.0020833 k( 154) = ( 0.7139544 0.2860456 0.5000000), wk = 0.0020833 k( 155) = ( 0.7185067 0.2814933 0.5000000), wk = 0.0020833 k( 156) = ( 0.7230589 0.2769411 0.5000000), wk = 0.0020833 k( 157) = ( 0.7276111 0.2723889 0.5000000), wk = 0.0020833 k( 158) = ( 0.7321633 0.2678367 0.5000000), wk = 0.0020833 k( 159) = ( 0.7367155 0.2632845 0.5000000), wk = 0.0020833 k( 160) = ( 0.7412678 0.2587322 0.5000000), wk = 0.0020833 k( 161) = ( 0.7458200 0.2541800 0.5000000), wk = 0.0020833 k( 162) = ( 0.7503722 0.2496278 0.5000000), wk = 0.0020833 k( 163) = ( 0.7549244 0.2450756 0.5000000), wk = 0.0020833 k( 164) = ( 0.7594767 0.2405233 0.5000000), wk = 0.0020833 k( 165) = ( 0.7640289 0.2359711 0.5000000), wk = 0.0020833 k( 166) = ( 0.7685811 0.2314189 0.5000000), wk = 0.0020833 k( 167) = ( 0.7731333 0.2268667 0.5000000), wk = 0.0020833 k( 168) = ( 0.7776855 0.2223144 0.5000000), wk = 0.0020833 k( 169) = ( 0.7822378 0.2177622 0.5000000), wk = 0.0020833 k( 170) = ( 0.2177622 -0.2177622 0.5000000), wk = 0.0020833 k( 171) = ( 0.2132255 -0.2132255 0.5000000), wk = 0.0020833 k( 172) = ( 0.2086888 -0.2086888 0.5000000), wk = 0.0020833 k( 173) = ( 0.2041521 -0.2041521 0.5000000), wk = 0.0020833 k( 174) = ( 0.1996154 -0.1996154 0.5000000), wk = 0.0020833 k( 175) = ( 0.1950787 -0.1950787 0.5000000), wk = 0.0020833 k( 176) = ( 0.1905419 -0.1905420 0.5000000), wk = 0.0020833 k( 177) = ( 0.1860052 -0.1860052 0.5000000), wk = 0.0020833 k( 178) = ( 0.1814685 -0.1814685 0.5000000), wk = 0.0020833 k( 179) = ( 0.1769318 -0.1769318 0.5000000), wk = 0.0020833 k( 180) = ( 0.1723951 -0.1723951 0.5000000), wk = 0.0020833 k( 181) = ( 0.1678584 -0.1678584 0.5000000), wk = 0.0020833 k( 182) = ( 0.1633217 -0.1633217 0.5000000), wk = 0.0020833 k( 183) = ( 0.1587850 -0.1587850 0.5000000), wk = 0.0020833 k( 184) = ( 0.1542482 -0.1542482 0.5000000), wk = 0.0020833 k( 185) = ( 0.1497115 -0.1497115 0.5000000), wk = 0.0020833 k( 186) = ( 0.1451748 -0.1451748 0.5000000), wk = 0.0020833 k( 187) = ( 0.1406381 -0.1406381 0.5000000), wk = 0.0020833 k( 188) = ( 0.1361014 -0.1361014 0.5000000), wk = 0.0020833 k( 189) = ( 0.1315647 -0.1315647 0.5000000), wk = 0.0020833 k( 190) = ( 0.1270280 -0.1270280 0.5000000), wk = 0.0020833 k( 191) = ( 0.1224912 -0.1224913 0.5000000), wk = 0.0020833 k( 192) = ( 0.1179545 -0.1179545 0.5000000), wk = 0.0020833 k( 193) = ( 0.1134178 -0.1134178 0.5000000), wk = 0.0020833 k( 194) = ( 0.1088811 -0.1088811 0.5000000), wk = 0.0020833 k( 195) = ( 0.1043444 -0.1043444 0.5000000), wk = 0.0020833 k( 196) = ( 0.0998077 -0.0998077 0.5000000), wk = 0.0020833 k( 197) = ( 0.0952710 -0.0952710 0.5000000), wk = 0.0020833 k( 198) = ( 0.0907343 -0.0907343 0.5000000), wk = 0.0020833 k( 199) = ( 0.0861975 -0.0861976 0.5000000), wk = 0.0020833 k( 200) = ( 0.0816608 -0.0816608 0.5000000), wk = 0.0020833 k( 201) = ( 0.0771241 -0.0771241 0.5000000), wk = 0.0020833 k( 202) = ( 0.0725874 -0.0725874 0.5000000), wk = 0.0020833 k( 203) = ( 0.0680507 -0.0680507 0.5000000), wk = 0.0020833 k( 204) = ( 0.0635140 -0.0635140 0.5000000), wk = 0.0020833 k( 205) = ( 0.0589773 -0.0589773 0.5000000), wk = 0.0020833 k( 206) = ( 0.0544406 -0.0544406 0.5000000), wk = 0.0020833 k( 207) = ( 0.0499038 -0.0499038 0.5000000), wk = 0.0020833 k( 208) = ( 0.0453671 -0.0453671 0.5000000), wk = 0.0020833 k( 209) = ( 0.0408304 -0.0408304 0.5000000), wk = 0.0020833 k( 210) = ( 0.0362937 -0.0362937 0.5000000), wk = 0.0020833 k( 211) = ( 0.0317570 -0.0317570 0.5000000), wk = 0.0020833 k( 212) = ( 0.0272203 -0.0272203 0.5000000), wk = 0.0020833 k( 213) = ( 0.0226836 -0.0226836 0.5000000), wk = 0.0020833 k( 214) = ( 0.0181468 -0.0181468 0.5000000), wk = 0.0020833 k( 215) = ( 0.0136101 -0.0136101 0.5000000), wk = 0.0020833 k( 216) = ( 0.0090734 -0.0090734 0.5000000), wk = 0.0020833 k( 217) = ( 0.0045367 -0.0045367 0.5000000), wk = 0.0020833 k( 218) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020833 k( 219) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020833 k( 220) = ( 0.0187946 0.0187946 0.5184286), wk = 0.0020833 k( 221) = ( 0.0375892 0.0375892 0.5368572), wk = 0.0020833 k( 222) = ( 0.0563838 0.0563838 0.5552858), wk = 0.0020833 k( 223) = ( 0.0751784 0.0751784 0.5737145), wk = 0.0020833 k( 224) = ( 0.0939730 0.0939730 0.5921431), wk = 0.0020833 k( 225) = ( 0.1127676 0.1127676 0.6105717), wk = 0.0020833 k( 226) = ( 0.1315622 0.1315622 0.6290003), wk = 0.0020833 k( 227) = ( 0.1503569 0.1503569 0.6474289), wk = 0.0020833 k( 228) = ( 0.1691515 0.1691515 0.6658575), wk = 0.0020833 k( 229) = ( 0.1879461 0.1879461 0.6842861), wk = 0.0020833 k( 230) = ( 0.2067407 0.2067407 0.7027147), wk = 0.0020833 k( 231) = ( 0.2255353 0.2255353 0.7211433), wk = 0.0020833 k( 232) = ( 0.2443299 0.2443299 0.7395720), wk = 0.0020833 k( 233) = ( 0.2631245 0.2631245 0.7580006), wk = 0.0020833 k( 234) = ( 0.2819191 0.2819191 0.7764292), wk = 0.0020833 k( 235) = ( 0.3007137 0.3007137 0.7948578), wk = 0.0020833 k( 236) = ( 0.3195083 0.3195083 0.8132864), wk = 0.0020833 k( 237) = ( 0.3383029 0.3383029 0.8317150), wk = 0.0020833 k( 238) = ( 0.3570975 0.3570975 0.8501436), wk = 0.0020833 k( 239) = ( 0.3758921 0.3758921 0.8685722), wk = 0.0020833 k( 240) = ( 0.3946867 0.3946868 0.8870008), wk = 0.0020833 k( 241) = ( 0.4134814 0.4134814 0.9054295), wk = 0.0020833 k( 242) = ( 0.4322760 0.4322760 0.9238581), wk = 0.0020833 k( 243) = ( 0.4510706 0.4510706 0.9422867), wk = 0.0020833 k( 244) = ( 0.4698652 0.4698652 0.9607153), wk = 0.0020833 k( 245) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020833 k( 246) = ( 0.5045155 0.4954845 0.0000000), wk = 0.0020833 k( 247) = ( 0.5090309 0.4909691 0.0000000), wk = 0.0020833 k( 248) = ( 0.5135464 0.4864536 0.0000000), wk = 0.0020833 k( 249) = ( 0.5180619 0.4819381 0.0000000), wk = 0.0020833 k( 250) = ( 0.5225773 0.4774227 0.0000000), wk = 0.0020833 k( 251) = ( 0.5270928 0.4729072 0.0000000), wk = 0.0020833 k( 252) = ( 0.5316083 0.4683917 0.0000000), wk = 0.0020833 k( 253) = ( 0.5361237 0.4638763 0.0000000), wk = 0.0020833 k( 254) = ( 0.5406392 0.4593608 0.0000000), wk = 0.0020833 k( 255) = ( 0.5451546 0.4548454 0.0000000), wk = 0.0020833 k( 256) = ( 0.5496701 0.4503299 0.0000000), wk = 0.0020833 k( 257) = ( 0.5541856 0.4458144 0.0000000), wk = 0.0020833 k( 258) = ( 0.5587011 0.4412990 0.0000000), wk = 0.0020833 k( 259) = ( 0.5632165 0.4367835 0.0000000), wk = 0.0020833 k( 260) = ( 0.5677320 0.4322680 0.0000000), wk = 0.0020833 k( 261) = ( 0.5722474 0.4277526 -0.0000000), wk = 0.0020833 k( 262) = ( 0.5767629 0.4232371 0.0000000), wk = 0.0020833 k( 263) = ( 0.5812784 0.4187216 0.0000000), wk = 0.0020833 k( 264) = ( 0.5857938 0.4142062 0.0000000), wk = 0.0020833 k( 265) = ( 0.5903093 0.4096907 0.0000000), wk = 0.0020833 k( 266) = ( 0.5948248 0.4051752 0.0000000), wk = 0.0020833 k( 267) = ( 0.5993402 0.4006598 0.0000000), wk = 0.0020833 k( 268) = ( 0.6038557 0.3961443 0.0000000), wk = 0.0020833 k( 269) = ( 0.6083712 0.3916288 0.0000000), wk = 0.0020833 k( 270) = ( 0.6128866 0.3871134 0.0000000), wk = 0.0020833 k( 271) = ( 0.6174021 0.3825979 0.0000000), wk = 0.0020833 k( 272) = ( 0.6219176 0.3780824 -0.0000000), wk = 0.0020833 k( 273) = ( 0.6264330 0.3735670 0.0000000), wk = 0.0020833 k( 274) = ( 0.6309485 0.3690515 0.0000000), wk = 0.0020833 k( 275) = ( 0.6354640 0.3645360 -0.0000000), wk = 0.0020833 k( 276) = ( 0.6399794 0.3600206 0.0000000), wk = 0.0020833 k( 277) = ( 0.6444949 0.3555051 0.0000000), wk = 0.0020833 k( 278) = ( 0.6490103 0.3509896 0.0000000), wk = 0.0020833 k( 279) = ( 0.6535258 0.3464742 0.0000000), wk = 0.0020833 k( 280) = ( 0.6580413 0.3419587 0.0000000), wk = 0.0020833 k( 281) = ( 0.6625568 0.3374432 0.0000000), wk = 0.0020833 k( 282) = ( 0.6670722 0.3329278 0.0000000), wk = 0.0020833 k( 283) = ( 0.6715877 0.3284123 0.0000000), wk = 0.0020833 k( 284) = ( 0.6761031 0.3238969 0.0000000), wk = 0.0020833 k( 285) = ( 0.6806186 0.3193814 0.0000000), wk = 0.0020833 k( 286) = ( 0.6851341 0.3148659 0.0000000), wk = 0.0020833 k( 287) = ( 0.6896495 0.3103505 -0.0000000), wk = 0.0020833 k( 288) = ( 0.3103505 -0.3103505 -0.0000000), wk = 0.0020833 k( 289) = ( 0.3057865 -0.3057865 -0.0000000), wk = 0.0020833 k( 290) = ( 0.3012225 -0.3012225 0.0000000), wk = 0.0020833 k( 291) = ( 0.2966585 -0.2966585 0.0000000), wk = 0.0020833 k( 292) = ( 0.2920946 -0.2920946 0.0000000), wk = 0.0020833 k( 293) = ( 0.2875306 -0.2875306 -0.0000000), wk = 0.0020833 k( 294) = ( 0.2829666 -0.2829666 -0.0000000), wk = 0.0020833 k( 295) = ( 0.2784026 -0.2784026 -0.0000000), wk = 0.0020833 k( 296) = ( 0.2738386 -0.2738386 0.0000000), wk = 0.0020833 k( 297) = ( 0.2692747 -0.2692747 -0.0000000), wk = 0.0020833 k( 298) = ( 0.2647107 -0.2647107 0.0000000), wk = 0.0020833 k( 299) = ( 0.2601467 -0.2601467 0.0000000), wk = 0.0020833 k( 300) = ( 0.2555827 -0.2555827 -0.0000000), wk = 0.0020833 k( 301) = ( 0.2510188 -0.2510188 -0.0000000), wk = 0.0020833 k( 302) = ( 0.2464548 -0.2464548 0.0000000), wk = 0.0020833 k( 303) = ( 0.2418908 -0.2418908 0.0000000), wk = 0.0020833 k( 304) = ( 0.2373268 -0.2373268 -0.0000000), wk = 0.0020833 k( 305) = ( 0.2327628 -0.2327629 -0.0000000), wk = 0.0020833 k( 306) = ( 0.2281989 -0.2281989 0.0000000), wk = 0.0020833 k( 307) = ( 0.2236349 -0.2236349 -0.0000000), wk = 0.0020833 k( 308) = ( 0.2190709 -0.2190709 0.0000000), wk = 0.0020833 k( 309) = ( 0.2145069 -0.2145069 -0.0000000), wk = 0.0020833 k( 310) = ( 0.2099430 -0.2099430 0.0000000), wk = 0.0020833 k( 311) = ( 0.2053790 -0.2053790 -0.0000000), wk = 0.0020833 k( 312) = ( 0.2008150 -0.2008150 0.0000000), wk = 0.0020833 k( 313) = ( 0.1962510 -0.1962510 -0.0000000), wk = 0.0020833 k( 314) = ( 0.1916870 -0.1916871 0.0000000), wk = 0.0020833 k( 315) = ( 0.1871231 -0.1871231 -0.0000000), wk = 0.0020833 k( 316) = ( 0.1825591 -0.1825591 -0.0000000), wk = 0.0020833 k( 317) = ( 0.1779951 -0.1779951 0.0000000), wk = 0.0020833 k( 318) = ( 0.1734311 -0.1734311 0.0000000), wk = 0.0020833 k( 319) = ( 0.1688672 -0.1688672 -0.0000000), wk = 0.0020833 k( 320) = ( 0.1643032 -0.1643032 -0.0000000), wk = 0.0020833 k( 321) = ( 0.1597392 -0.1597392 0.0000000), wk = 0.0020833 k( 322) = ( 0.1551752 -0.1551752 -0.0000000), wk = 0.0020833 k( 323) = ( 0.1506113 -0.1506113 -0.0000000), wk = 0.0020833 k( 324) = ( 0.1460473 -0.1460473 -0.0000000), wk = 0.0020833 k( 325) = ( 0.1414833 -0.1414833 -0.0000000), wk = 0.0020833 k( 326) = ( 0.1369193 -0.1369193 0.0000000), wk = 0.0020833 k( 327) = ( 0.1323553 -0.1323553 0.0000000), wk = 0.0020833 k( 328) = ( 0.1277914 -0.1277914 -0.0000000), wk = 0.0020833 k( 329) = ( 0.1232274 -0.1232274 0.0000000), wk = 0.0020833 k( 330) = ( 0.1186634 -0.1186634 -0.0000000), wk = 0.0020833 k( 331) = ( 0.1140994 -0.1140994 -0.0000000), wk = 0.0020833 k( 332) = ( 0.1095355 -0.1095355 -0.0000000), wk = 0.0020833 k( 333) = ( 0.1049715 -0.1049715 0.0000000), wk = 0.0020833 k( 334) = ( 0.1004075 -0.1004075 0.0000000), wk = 0.0020833 k( 335) = ( 0.0958435 -0.0958435 -0.0000000), wk = 0.0020833 k( 336) = ( 0.0912796 -0.0912796 -0.0000000), wk = 0.0020833 k( 337) = ( 0.0867156 -0.0867156 0.0000000), wk = 0.0020833 k( 338) = ( 0.0821516 -0.0821516 -0.0000000), wk = 0.0020833 k( 339) = ( 0.0775876 -0.0775876 0.0000000), wk = 0.0020833 k( 340) = ( 0.0730236 -0.0730236 -0.0000000), wk = 0.0020833 k( 341) = ( 0.0684597 -0.0684597 0.0000000), wk = 0.0020833 k( 342) = ( 0.0638957 -0.0638957 0.0000000), wk = 0.0020833 k( 343) = ( 0.0593317 -0.0593317 -0.0000000), wk = 0.0020833 k( 344) = ( 0.0547677 -0.0547677 -0.0000000), wk = 0.0020833 k( 345) = ( 0.0502037 -0.0502037 0.0000000), wk = 0.0020833 k( 346) = ( 0.0456398 -0.0456398 0.0000000), wk = 0.0020833 k( 347) = ( 0.0410758 -0.0410758 0.0000000), wk = 0.0020833 k( 348) = ( 0.0365118 -0.0365118 -0.0000000), wk = 0.0020833 k( 349) = ( 0.0319478 -0.0319478 0.0000000), wk = 0.0020833 k( 350) = ( 0.0273839 -0.0273839 -0.0000000), wk = 0.0020833 k( 351) = ( 0.0228199 -0.0228199 -0.0000000), wk = 0.0020833 k( 352) = ( 0.0182559 -0.0182559 -0.0000000), wk = 0.0020833 k( 353) = ( 0.0136919 -0.0136919 -0.0000000), wk = 0.0020833 k( 354) = ( 0.0091279 -0.0091280 0.0000000), wk = 0.0020833 k( 355) = ( 0.0045640 -0.0045640 -0.0000000), wk = 0.0020833 k( 356) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 357) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 358) = ( 0.0081967 0.0000000 0.0000000), wk = 0.0020833 k( 359) = ( 0.0163934 0.0000000 0.0000000), wk = 0.0020833 k( 360) = ( 0.0245902 -0.0000000 0.0000000), wk = 0.0020833 k( 361) = ( 0.0327869 0.0000000 0.0000000), wk = 0.0020833 k( 362) = ( 0.0409836 0.0000000 -0.0000000), wk = 0.0020833 k( 363) = ( 0.0491803 0.0000000 -0.0000000), wk = 0.0020833 k( 364) = ( 0.0573770 0.0000000 0.0000000), wk = 0.0020833 k( 365) = ( 0.0655738 -0.0000000 0.0000000), wk = 0.0020833 k( 366) = ( 0.0737705 0.0000000 0.0000000), wk = 0.0020833 k( 367) = ( 0.0819672 0.0000000 0.0000000), wk = 0.0020833 k( 368) = ( 0.0901639 0.0000000 0.0000000), wk = 0.0020833 k( 369) = ( 0.0983607 0.0000000 -0.0000000), wk = 0.0020833 k( 370) = ( 0.1065574 0.0000000 0.0000000), wk = 0.0020833 k( 371) = ( 0.1147541 0.0000000 0.0000000), wk = 0.0020833 k( 372) = ( 0.1229508 0.0000000 0.0000000), wk = 0.0020833 k( 373) = ( 0.1311475 -0.0000000 0.0000000), wk = 0.0020833 k( 374) = ( 0.1393443 -0.0000000 -0.0000000), wk = 0.0020833 k( 375) = ( 0.1475410 0.0000000 0.0000000), wk = 0.0020833 k( 376) = ( 0.1557377 0.0000000 0.0000000), wk = 0.0020833 k( 377) = ( 0.1639344 0.0000000 0.0000000), wk = 0.0020833 k( 378) = ( 0.1721312 0.0000000 0.0000000), wk = 0.0020833 k( 379) = ( 0.1803279 0.0000000 0.0000000), wk = 0.0020833 k( 380) = ( 0.1885246 0.0000000 0.0000000), wk = 0.0020833 k( 381) = ( 0.1967213 0.0000000 0.0000000), wk = 0.0020833 k( 382) = ( 0.2049180 0.0000000 0.0000000), wk = 0.0020833 k( 383) = ( 0.2131147 0.0000000 -0.0000000), wk = 0.0020833 k( 384) = ( 0.2213115 0.0000000 0.0000000), wk = 0.0020833 k( 385) = ( 0.2295082 0.0000000 0.0000000), wk = 0.0020833 k( 386) = ( 0.2377049 0.0000000 0.0000000), wk = 0.0020833 k( 387) = ( 0.2459016 0.0000000 0.0000000), wk = 0.0020833 k( 388) = ( 0.2540984 0.0000000 0.0000000), wk = 0.0020833 k( 389) = ( 0.2622951 -0.0000000 0.0000000), wk = 0.0020833 k( 390) = ( 0.2704918 0.0000000 0.0000000), wk = 0.0020833 k( 391) = ( 0.2786885 -0.0000000 -0.0000000), wk = 0.0020833 k( 392) = ( 0.2868852 0.0000000 -0.0000000), wk = 0.0020833 k( 393) = ( 0.2950820 0.0000000 0.0000000), wk = 0.0020833 k( 394) = ( 0.3032787 0.0000000 0.0000000), wk = 0.0020833 k( 395) = ( 0.3114754 0.0000000 0.0000000), wk = 0.0020833 k( 396) = ( 0.3196721 0.0000000 0.0000000), wk = 0.0020833 k( 397) = ( 0.3278688 0.0000000 0.0000000), wk = 0.0020833 k( 398) = ( 0.3360656 0.0000000 0.0000000), wk = 0.0020833 k( 399) = ( 0.3442623 0.0000000 0.0000000), wk = 0.0020833 k( 400) = ( 0.3524590 -0.0000000 0.0000000), wk = 0.0020833 k( 401) = ( 0.3606557 0.0000000 0.0000000), wk = 0.0020833 k( 402) = ( 0.3688525 0.0000000 0.0000000), wk = 0.0020833 k( 403) = ( 0.3770492 0.0000000 0.0000000), wk = 0.0020833 k( 404) = ( 0.3852459 -0.0000000 0.0000000), wk = 0.0020833 k( 405) = ( 0.3934426 0.0000000 0.0000000), wk = 0.0020833 k( 406) = ( 0.4016393 0.0000000 0.0000000), wk = 0.0020833 k( 407) = ( 0.4098361 0.0000000 0.0000000), wk = 0.0020833 k( 408) = ( 0.4180328 0.0000000 0.0000000), wk = 0.0020833 k( 409) = ( 0.4262295 0.0000000 0.0000000), wk = 0.0020833 k( 410) = ( 0.4344262 0.0000000 0.0000000), wk = 0.0020833 k( 411) = ( 0.4426230 0.0000000 -0.0000000), wk = 0.0020833 k( 412) = ( 0.4508197 0.0000000 0.0000000), wk = 0.0020833 k( 413) = ( 0.4590164 0.0000000 0.0000000), wk = 0.0020833 k( 414) = ( 0.4672131 -0.0000000 -0.0000000), wk = 0.0020833 k( 415) = ( 0.4754098 0.0000000 0.0000000), wk = 0.0020833 k( 416) = ( 0.4836066 0.0000000 -0.0000000), wk = 0.0020833 k( 417) = ( 0.4918033 0.0000000 0.0000000), wk = 0.0020833 k( 418) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020833 k( 419) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020833 k( 420) = ( 0.4918033 0.0000000 0.4918033), wk = 0.0020833 k( 421) = ( 0.4836066 0.0000000 0.4836066), wk = 0.0020833 k( 422) = ( 0.4754098 0.0000000 0.4754098), wk = 0.0020833 k( 423) = ( 0.4672131 -0.0000000 0.4672131), wk = 0.0020833 k( 424) = ( 0.4590164 0.0000000 0.4590164), wk = 0.0020833 k( 425) = ( 0.4508197 0.0000000 0.4508197), wk = 0.0020833 k( 426) = ( 0.4426230 0.0000000 0.4426229), wk = 0.0020833 k( 427) = ( 0.4344262 0.0000000 0.4344262), wk = 0.0020833 k( 428) = ( 0.4262295 0.0000000 0.4262295), wk = 0.0020833 k( 429) = ( 0.4180328 0.0000000 0.4180328), wk = 0.0020833 k( 430) = ( 0.4098361 0.0000000 0.4098361), wk = 0.0020833 k( 431) = ( 0.4016393 0.0000000 0.4016393), wk = 0.0020833 k( 432) = ( 0.3934426 0.0000000 0.3934426), wk = 0.0020833 k( 433) = ( 0.3852459 -0.0000000 0.3852459), wk = 0.0020833 k( 434) = ( 0.3770492 0.0000000 0.3770492), wk = 0.0020833 k( 435) = ( 0.3688525 0.0000000 0.3688525), wk = 0.0020833 k( 436) = ( 0.3606557 0.0000000 0.3606557), wk = 0.0020833 k( 437) = ( 0.3524590 -0.0000000 0.3524590), wk = 0.0020833 k( 438) = ( 0.3442623 0.0000000 0.3442623), wk = 0.0020833 k( 439) = ( 0.3360656 0.0000000 0.3360656), wk = 0.0020833 k( 440) = ( 0.3278688 0.0000000 0.3278688), wk = 0.0020833 k( 441) = ( 0.3196721 0.0000000 0.3196721), wk = 0.0020833 k( 442) = ( 0.3114754 0.0000000 0.3114754), wk = 0.0020833 k( 443) = ( 0.3032787 0.0000000 0.3032787), wk = 0.0020833 k( 444) = ( 0.2950820 0.0000000 0.2950820), wk = 0.0020833 k( 445) = ( 0.2868852 0.0000000 0.2868852), wk = 0.0020833 k( 446) = ( 0.2786885 -0.0000000 0.2786885), wk = 0.0020833 k( 447) = ( 0.2704918 0.0000000 0.2704918), wk = 0.0020833 k( 448) = ( 0.2622951 -0.0000000 0.2622951), wk = 0.0020833 k( 449) = ( 0.2540984 0.0000000 0.2540984), wk = 0.0020833 k( 450) = ( 0.2459016 0.0000000 0.2459016), wk = 0.0020833 k( 451) = ( 0.2377049 0.0000000 0.2377049), wk = 0.0020833 k( 452) = ( 0.2295082 0.0000000 0.2295082), wk = 0.0020833 k( 453) = ( 0.2213115 0.0000000 0.2213115), wk = 0.0020833 k( 454) = ( 0.2131147 0.0000000 0.2131147), wk = 0.0020833 k( 455) = ( 0.2049180 0.0000000 0.2049180), wk = 0.0020833 k( 456) = ( 0.1967213 0.0000000 0.1967213), wk = 0.0020833 k( 457) = ( 0.1885246 0.0000000 0.1885246), wk = 0.0020833 k( 458) = ( 0.1803279 0.0000000 0.1803279), wk = 0.0020833 k( 459) = ( 0.1721312 0.0000000 0.1721312), wk = 0.0020833 k( 460) = ( 0.1639344 0.0000000 0.1639344), wk = 0.0020833 k( 461) = ( 0.1557377 0.0000000 0.1557377), wk = 0.0020833 k( 462) = ( 0.1475410 0.0000000 0.1475410), wk = 0.0020833 k( 463) = ( 0.1393443 -0.0000000 0.1393443), wk = 0.0020833 k( 464) = ( 0.1311475 -0.0000000 0.1311475), wk = 0.0020833 k( 465) = ( 0.1229508 0.0000000 0.1229508), wk = 0.0020833 k( 466) = ( 0.1147541 0.0000000 0.1147541), wk = 0.0020833 k( 467) = ( 0.1065574 0.0000000 0.1065574), wk = 0.0020833 k( 468) = ( 0.0983607 0.0000000 0.0983607), wk = 0.0020833 k( 469) = ( 0.0901639 0.0000000 0.0901639), wk = 0.0020833 k( 470) = ( 0.0819672 0.0000000 0.0819672), wk = 0.0020833 k( 471) = ( 0.0737705 0.0000000 0.0737705), wk = 0.0020833 k( 472) = ( 0.0655738 -0.0000000 0.0655738), wk = 0.0020833 k( 473) = ( 0.0573770 0.0000000 0.0573771), wk = 0.0020833 k( 474) = ( 0.0491803 0.0000000 0.0491803), wk = 0.0020833 k( 475) = ( 0.0409836 0.0000000 0.0409836), wk = 0.0020833 k( 476) = ( 0.0327869 0.0000000 0.0327869), wk = 0.0020833 k( 477) = ( 0.0245902 -0.0000000 0.0245902), wk = 0.0020833 k( 478) = ( 0.0163934 0.0000000 0.0163934), wk = 0.0020833 k( 479) = ( 0.0081967 0.0000000 0.0081967), wk = 0.0020833 k( 480) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 Dense grid: 38585 G-vectors FFT dimensions: ( 72, 72, 75) Smooth grid: 13673 G-vectors FFT dimensions: ( 48, 48, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 76, 42) NL pseudopotentials 0.07 Mb ( 38, 124) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 804) G-vector shells 0.01 Mb ( 786) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 76, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.16 Mb ( 124, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./IrC2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.8 secs Computing kpt #: 2 total cpu time spent up to now is 46.4 secs Computing kpt #: 3 total cpu time spent up to now is 48.0 secs Computing kpt #: 4 total cpu time spent up to now is 49.6 secs Computing kpt #: 5 total cpu time spent up to now is 51.2 secs Computing kpt #: 6 total cpu time spent up to now is 52.9 secs Computing kpt #: 7 total cpu time spent up to now is 54.7 secs Computing kpt #: 8 total cpu time spent up to now is 56.4 secs Computing kpt #: 9 total cpu time spent up to now is 58.0 secs Computing kpt #: 10 total cpu time spent up to now is 59.9 secs Computing kpt #: 11 total cpu time spent up to now is 61.8 secs Computing kpt #: 12 total cpu time spent up to now is 63.8 secs Computing kpt #: 13 total cpu time spent up to now is 65.9 secs Computing kpt #: 14 total cpu time spent up to now is 68.5 secs Computing kpt #: 15 total cpu time spent up to now is 70.7 secs Computing kpt #: 16 total cpu time spent up to now is 72.7 secs Computing kpt #: 17 total cpu time spent up to now is 74.5 secs Computing kpt #: 18 total cpu time spent up to now is 76.3 secs Computing kpt #: 19 total cpu time spent up to now is 78.2 secs Computing kpt #: 20 total cpu time spent up to now is 80.0 secs Computing kpt #: 21 total cpu time spent up to now is 81.8 secs Computing kpt #: 22 total cpu time spent up to now is 83.5 secs Computing kpt #: 23 total cpu time spent up to now is 85.2 secs Computing kpt #: 24 total cpu time spent up to now is 87.0 secs Computing kpt #: 25 total cpu time spent up to now is 88.8 secs Computing kpt #: 26 total cpu time spent up to now is 90.7 secs Computing kpt #: 27 total cpu time spent up to now is 92.5 secs Computing kpt #: 28 total cpu time spent up to now is 94.6 secs Computing kpt #: 29 total cpu time spent up to now is 96.6 secs Computing kpt #: 30 total cpu time spent up to now is 98.7 secs Computing kpt #: 31 total cpu time spent up to now is 100.9 secs Computing kpt #: 32 total cpu time spent up to now is 103.1 secs Computing kpt #: 33 total cpu time spent up to now is 105.6 secs Computing kpt #: 34 total cpu time spent up to now is 108.4 secs Computing kpt #: 35 total cpu time spent up to now is 111.1 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.3 secs Computing kpt #: 37 total cpu time spent up to now is 117.1 secs Computing kpt #: 38 total cpu time spent up to now is 119.1 secs Computing kpt #: 39 total cpu time spent up to now is 121.0 secs Computing kpt #: 40 total cpu time spent up to now is 123.0 secs Computing kpt #: 41 total cpu time spent up to now is 125.1 secs Computing kpt #: 42 total cpu time spent up to now is 127.0 secs Computing kpt #: 43 total cpu time spent up to now is 129.0 secs Computing kpt #: 44 total cpu time spent up to now is 131.0 secs Computing kpt #: 45 total cpu time spent up to now is 133.1 secs Computing kpt #: 46 total cpu time spent up to now is 135.1 secs Computing kpt #: 47 total cpu time spent up to now is 137.1 secs Computing kpt #: 48 total cpu time spent up to now is 139.0 secs Computing kpt #: 49 total cpu time spent up to now is 141.0 secs Computing kpt #: 50 total cpu time spent up to now is 142.9 secs Computing kpt #: 51 total cpu time spent up to now is 144.9 secs Computing kpt #: 52 total cpu time spent up to now is 146.9 secs Computing kpt #: 53 total cpu time spent up to now is 149.7 secs Computing kpt #: 54 total cpu time spent up to now is 152.7 secs Computing kpt #: 55 total cpu time spent up to now is 155.3 secs Computing kpt #: 56 total cpu time spent up to now is 157.6 secs Computing kpt #: 57 total cpu time spent up to now is 160.3 secs Computing kpt #: 58 total cpu time spent up to now is 162.3 secs Computing kpt #: 59 total cpu time spent up to now is 164.5 secs Computing kpt #: 60 total cpu time spent up to now is 166.5 secs Computing kpt #: 61 total cpu time spent up to now is 168.5 secs Computing kpt #: 62 total cpu time spent up to now is 170.5 secs Computing kpt #: 63 total cpu time spent up to now is 172.4 secs Computing kpt #: 64 total cpu time spent up to now is 174.9 secs Computing kpt 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spent up to now is 203.9 secs Computing kpt #: 81 total cpu time spent up to now is 205.5 secs Computing kpt #: 82 total cpu time spent up to now is 207.0 secs Computing kpt #: 83 total cpu time spent up to now is 208.5 secs Computing kpt #: 84 total cpu time spent up to now is 210.0 secs Computing kpt #: 85 total cpu time spent up to now is 211.6 secs Computing kpt #: 86 total cpu time spent up to now is 213.0 secs Computing kpt #: 87 total cpu time spent up to now is 214.5 secs Computing kpt #: 88 total cpu time spent up to now is 216.0 secs Computing kpt #: 89 total cpu time spent up to now is 217.5 secs Computing kpt #: 90 total cpu time spent up to now is 218.9 secs Computing kpt #: 91 total cpu time spent up to now is 220.3 secs Computing kpt #: 92 total cpu time spent up to now is 221.8 secs Computing kpt #: 93 total cpu time spent up to now is 223.2 secs Computing kpt #: 94 total cpu time spent up to now is 224.7 secs Computing kpt #: 95 total cpu time spent up to now is 226.1 secs Computing kpt #: 96 total cpu time spent up to now is 227.5 secs Computing kpt #: 97 total cpu time spent up to now is 228.9 secs Computing kpt #: 98 total cpu time spent up to now is 230.4 secs Computing kpt #: 99 total cpu time spent up to now is 231.8 secs Computing kpt #: 100 total cpu time spent up to now is 233.2 secs Computing kpt #: 101 total cpu time spent up to now is 234.6 secs Computing kpt #: 102 total cpu time spent up to now is 236.0 secs Computing kpt #: 103 total cpu time spent up to now is 237.4 secs Computing kpt #: 104 total cpu time spent up to now is 238.8 secs Computing kpt #: 105 total cpu time spent up to now is 240.2 secs Computing kpt #: 106 total cpu time spent up to now is 241.6 secs Computing kpt #: 107 total cpu time spent up to now is 243.0 secs Computing kpt #: 108 total cpu time spent up to now is 244.3 secs Computing kpt #: 109 total cpu time spent up to now is 245.7 secs Computing kpt #: 110 total cpu time spent up to now is 247.1 secs Computing kpt #: 111 total cpu time spent up to now is 248.5 secs Computing kpt #: 112 total cpu time spent up to now is 249.9 secs Computing kpt #: 113 total cpu time spent up to now is 251.4 secs Computing kpt #: 114 total cpu time spent up to now is 252.8 secs Computing kpt #: 115 total cpu time spent up to now is 254.2 secs Computing kpt #: 116 total cpu time spent up to now is 255.6 secs Computing kpt #: 117 total cpu time spent up to now is 257.0 secs Computing kpt #: 118 total cpu time spent up to now is 258.5 secs Computing kpt #: 119 total cpu time spent up to now is 259.9 secs Computing kpt #: 120 total cpu time spent up to now is 261.3 secs Computing kpt #: 121 total cpu time spent up to now is 262.7 secs Computing kpt #: 122 total cpu time spent up to now is 264.1 secs Computing kpt #: 123 total cpu time spent up to now is 265.6 secs Computing kpt #: 124 total cpu time spent up to now is 267.0 secs Computing kpt #: 125 total cpu time spent up to now is 268.4 secs Computing kpt #: 126 total cpu time spent up to now is 269.9 secs Computing kpt #: 127 total cpu time spent up to now is 271.3 secs Computing kpt #: 128 total cpu time spent up to now is 272.7 secs Computing kpt #: 129 total cpu time spent up to now is 274.1 secs Computing kpt #: 130 total cpu time spent up to now is 275.7 secs Computing kpt #: 131 total cpu time spent up to now is 277.4 secs Computing kpt #: 132 total cpu time spent up to now is 278.9 secs Computing kpt #: 133 total cpu time spent up to now is 280.5 secs Computing kpt #: 134 total cpu time spent up to now is 282.1 secs Computing kpt #: 135 total cpu time spent up to now is 283.8 secs Computing kpt #: 136 total cpu time spent up to now is 285.4 secs Computing kpt #: 137 total cpu time spent up to now is 287.0 secs Computing kpt #: 138 total cpu time spent up to now is 288.7 secs Computing kpt #: 139 total cpu time spent up to now is 290.3 secs Computing kpt #: 140 total cpu time spent up to now is 291.9 secs Computing kpt #: 141 total cpu time spent up to now is 293.6 secs Computing kpt #: 142 total cpu time spent up to now is 295.3 secs Computing kpt #: 143 total cpu time spent up to now is 296.9 secs Computing kpt #: 144 total cpu time spent up to now is 298.6 secs Computing kpt #: 145 total cpu time spent up to now is 300.2 secs Computing kpt #: 146 total cpu time spent up to now is 301.8 secs Computing kpt #: 147 total cpu time spent up to now is 303.4 secs Computing kpt #: 148 total cpu time spent up to now is 304.9 secs Computing kpt #: 149 total cpu time spent up to now is 306.5 secs Computing kpt #: 150 total cpu time spent up to now is 308.1 secs Computing kpt #: 151 total cpu time spent up to now is 309.6 secs Computing kpt #: 152 total cpu time spent up to now is 311.2 secs Computing kpt #: 153 total cpu time spent up to now is 312.7 secs Computing kpt #: 154 total cpu time spent up to now is 314.3 secs Computing kpt #: 155 total cpu time spent up to now is 315.9 secs Computing kpt #: 156 total cpu time spent up to now is 317.6 secs Computing kpt #: 157 total cpu time spent up to now is 319.2 secs Computing kpt #: 158 total cpu time spent up to now is 320.7 secs Computing kpt #: 159 total cpu time spent up to now is 322.4 secs Computing kpt #: 160 total cpu time spent up to now is 324.1 secs Computing kpt #: 161 total cpu time spent up to now is 325.7 secs Computing kpt #: 162 total cpu time spent up to now is 327.3 secs Computing kpt #: 163 total cpu time spent up to now is 329.0 secs Computing kpt #: 164 total cpu time spent up to now is 330.7 secs Computing kpt #: 165 total cpu time spent up to now is 332.3 secs Computing kpt #: 166 total cpu time spent up to now is 334.0 secs Computing kpt #: 167 total cpu time spent up to now is 335.6 secs Computing kpt #: 168 total cpu time spent up to now is 337.2 secs Computing kpt #: 169 total cpu time spent up to now is 338.8 secs Computing kpt #: 170 total cpu time spent up to now is 340.4 secs Computing kpt #: 171 total cpu time spent up to now is 342.1 secs Computing kpt #: 172 total cpu time spent up to now is 343.7 secs Computing kpt #: 173 total cpu time spent up to now is 345.4 secs Computing kpt #: 174 total cpu time spent up to now is 347.2 secs Computing kpt #: 175 total cpu time spent up to now is 349.0 secs Computing kpt #: 176 total cpu time spent up to now is 350.8 secs Computing kpt #: 177 total cpu time spent up to now is 352.5 secs Computing kpt #: 178 total cpu time spent up to now is 354.2 secs Computing kpt #: 179 total cpu time spent up to now is 355.8 secs Computing kpt #: 180 total cpu time spent up to now is 357.4 secs Computing kpt #: 181 total cpu time spent up to now is 359.1 secs Computing kpt #: 182 total cpu time spent up to now is 360.6 secs Computing kpt #: 183 total cpu time spent up to now is 362.2 secs Computing kpt #: 184 total cpu time spent up to now is 363.7 secs Computing kpt #: 185 total cpu time spent up to now is 365.2 secs Computing kpt #: 186 total cpu time spent up to now is 366.6 secs Computing kpt #: 187 total cpu time spent up to now is 368.1 secs Computing kpt #: 188 total cpu time spent up to now is 369.6 secs Computing kpt #: 189 total cpu time spent up to now is 371.0 secs Computing kpt #: 190 total cpu time spent up to now is 372.5 secs Computing kpt #: 191 total cpu time spent up to now is 373.9 secs Computing kpt #: 192 total cpu time spent up to now is 375.3 secs Computing kpt #: 193 total cpu time spent up to now is 376.7 secs Computing kpt #: 194 total cpu time spent up to now is 378.1 secs Computing kpt #: 195 total cpu time spent up to now is 379.5 secs Computing kpt #: 196 total cpu time spent up to now is 380.9 secs Computing kpt #: 197 total cpu time spent up to now is 382.3 secs Computing kpt #: 198 total cpu time spent up to now is 383.8 secs Computing kpt #: 199 total cpu time spent up to now is 385.2 secs Computing kpt #: 200 total cpu time spent up to now is 386.6 secs Computing kpt #: 201 total cpu time spent up to now is 388.0 secs Computing kpt #: 202 total cpu time spent up to now is 389.5 secs Computing kpt #: 203 total cpu time spent up to now is 390.9 secs Computing kpt #: 204 total cpu time spent up to now is 392.3 secs Computing kpt #: 205 total cpu time spent up to now is 393.7 secs Computing kpt #: 206 total cpu time spent up to now is 395.2 secs Computing kpt #: 207 total cpu time spent up to now is 396.7 secs Computing kpt #: 208 total cpu time spent up to now is 398.2 secs Computing kpt #: 209 total cpu time spent up to now is 399.6 secs Computing kpt #: 210 total cpu time spent up to now is 401.2 secs Computing kpt #: 211 total cpu time spent up to now is 402.7 secs Computing kpt #: 212 total cpu time spent up to now is 404.2 secs Computing kpt #: 213 total cpu time spent up to now is 405.6 secs Computing kpt #: 214 total cpu time spent up to now is 407.2 secs Computing kpt #: 215 total cpu time spent up to now is 408.7 secs Computing kpt #: 216 total cpu time spent up to now is 410.2 secs Computing kpt #: 217 total cpu time spent up to now is 411.8 secs Computing kpt #: 218 total cpu time spent up to now is 413.4 secs Computing kpt #: 219 total cpu time spent up to now is 414.9 secs Computing kpt #: 220 total cpu time spent up to now is 416.4 secs Computing kpt #: 221 total cpu time spent up to now is 418.0 secs Computing kpt #: 222 total cpu time spent up to now is 419.5 secs Computing kpt #: 223 total cpu time spent up to now is 421.0 secs Computing kpt #: 224 total cpu time spent up to now is 422.6 secs Computing kpt #: 225 total cpu time spent up to now is 424.2 secs Computing kpt #: 226 total cpu time spent up to now is 425.8 secs Computing kpt #: 227 total cpu time spent up to now is 427.4 secs Computing kpt #: 228 total cpu time spent up to now is 429.0 secs Computing kpt #: 229 total cpu time spent up to now is 430.6 secs Computing kpt #: 230 total cpu time spent up to now is 432.2 secs Computing kpt #: 231 total cpu time spent up to now is 433.8 secs Computing kpt #: 232 total cpu time spent up to now is 435.4 secs Computing kpt #: 233 total cpu time spent up to now is 437.0 secs Computing kpt #: 234 total cpu time spent up to now is 438.7 secs Computing kpt #: 235 total cpu time spent up to now is 440.5 secs Computing kpt #: 236 total cpu time spent up to now is 442.2 secs Computing kpt #: 237 total cpu time spent up to now is 444.0 secs Computing kpt #: 238 total cpu time spent up to now is 445.9 secs Computing kpt #: 239 total cpu time spent up to now is 447.9 secs Computing kpt #: 240 total cpu time spent up to now is 449.8 secs Computing kpt #: 241 total cpu time spent up to now is 451.6 secs Computing kpt #: 242 total cpu time spent up to now is 453.6 secs Computing kpt #: 243 total cpu time spent up to now is 455.6 secs Computing kpt #: 244 total cpu time spent up to now is 457.5 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 460.6 secs Computing kpt #: 246 total cpu time spent up to now is 462.9 secs Computing kpt #: 247 total cpu time spent up to now is 464.9 secs Computing kpt #: 248 total cpu time spent up to now is 466.9 secs Computing kpt #: 249 total cpu time spent up to now is 468.8 secs Computing kpt #: 250 total cpu time spent up to now is 470.7 secs Computing kpt #: 251 total cpu time spent up to now is 472.6 secs Computing kpt #: 252 total cpu time spent up to now is 474.5 secs Computing kpt #: 253 total cpu time spent up to now is 476.5 secs Computing kpt #: 254 total cpu time spent up to now is 478.4 secs Computing kpt #: 255 total cpu time spent up to now is 480.2 secs Computing kpt #: 256 total cpu time spent up to now is 481.9 secs Computing kpt #: 257 total cpu time spent up to now is 483.7 secs Computing kpt #: 258 total cpu time spent up to now is 485.6 secs Computing kpt #: 259 total cpu time spent up to now is 487.3 secs Computing kpt #: 260 total cpu time spent up to now is 489.1 secs Computing kpt #: 261 total cpu time spent up to now is 490.8 secs Computing kpt #: 262 total cpu time spent up to now is 492.5 secs Computing kpt #: 263 total cpu time spent up to now is 494.3 secs Computing kpt #: 264 total cpu time spent up to now is 495.9 secs Computing kpt #: 265 total cpu time spent up to now is 497.6 secs Computing kpt #: 266 total cpu time spent up to now is 499.3 secs Computing kpt #: 267 total cpu time spent up to now is 501.0 secs Computing kpt #: 268 total cpu time spent up to now is 502.8 secs Computing kpt #: 269 total cpu time spent up to now is 504.4 secs Computing kpt #: 270 total cpu time spent up to now is 506.2 secs Computing kpt #: 271 total cpu time spent up to now is 508.0 secs Computing kpt #: 272 total cpu time spent up to now is 509.8 secs Computing kpt #: 273 total cpu time spent up to now is 511.6 secs Computing kpt #: 274 total cpu time spent up to now is 513.4 secs Computing kpt #: 275 total cpu time spent up to now is 515.3 secs Computing kpt #: 276 total cpu time spent up to now is 517.1 secs Computing kpt #: 277 total cpu time spent up to now is 518.9 secs Computing kpt #: 278 total cpu time spent up to now is 520.6 secs Computing kpt #: 279 total cpu time spent up to now is 522.4 secs Computing kpt #: 280 total cpu time spent up to now is 524.1 secs Computing kpt #: 281 total cpu time spent up to now is 525.7 secs Computing kpt #: 282 total cpu time spent up to now is 527.4 secs Computing kpt #: 283 total cpu time spent up to now is 529.0 secs Computing kpt #: 284 total cpu time spent up to now is 530.6 secs Computing kpt #: 285 total cpu time spent up to now is 532.3 secs Computing kpt #: 286 total cpu time spent up to now is 533.9 secs Computing kpt #: 287 total cpu time spent up to now is 535.5 secs Computing kpt #: 288 total cpu time spent up to now is 537.1 secs Computing kpt #: 289 total cpu time spent up to now is 538.7 secs Computing kpt #: 290 total cpu time spent up to now is 540.4 secs Computing kpt #: 291 total cpu time spent up to now is 542.0 secs Computing kpt #: 292 total cpu time spent up to now is 543.6 secs Computing kpt #: 293 total cpu time spent up to now is 545.2 secs Computing kpt #: 294 total cpu time spent up to now is 546.9 secs Computing kpt #: 295 total cpu time spent up to now is 548.6 secs Computing kpt #: 296 total cpu time spent up to now is 550.3 secs Computing kpt #: 297 total cpu time spent up to now is 552.1 secs Computing kpt #: 298 total cpu time spent up to now is 553.9 secs Computing kpt #: 299 total cpu time spent up to now is 555.7 secs Computing kpt #: 300 total cpu time spent up to now is 557.5 secs Computing kpt #: 301 total cpu time spent up to now is 559.5 secs Computing kpt #: 302 total cpu time spent up to now is 561.6 secs Computing kpt #: 303 total cpu time spent up to now is 563.8 secs Computing kpt #: 304 total cpu time spent up to now is 566.1 secs Computing kpt #: 305 total cpu time spent up to now is 568.4 secs Computing kpt #: 306 total cpu time spent up to now is 570.6 secs Computing kpt #: 307 total cpu time spent up to now is 572.6 secs Computing kpt #: 308 total cpu time spent up to now is 574.5 secs Computing kpt #: 309 total cpu time spent up to now is 576.3 secs Computing kpt #: 310 total cpu time spent up to now is 578.1 secs Computing kpt #: 311 total cpu time spent up to now is 579.7 secs Computing kpt #: 312 total cpu time spent up to now is 581.3 secs Computing kpt #: 313 total cpu time spent up to now is 583.0 secs Computing kpt #: 314 total cpu time spent up to now is 584.7 secs Computing kpt #: 315 total cpu time spent up to now is 586.4 secs Computing kpt #: 316 total cpu time spent up to now is 588.0 secs Computing kpt #: 317 total cpu time spent up to now is 589.7 secs Computing kpt #: 318 total cpu time spent up to now is 591.3 secs Computing kpt #: 319 total cpu time spent up to now is 592.9 secs Computing kpt #: 320 total cpu time spent up to now is 594.6 secs Computing kpt #: 321 total cpu time spent up to now is 596.1 secs Computing kpt #: 322 total cpu time spent up to now is 597.7 secs Computing kpt #: 323 total cpu time spent up to now is 599.4 secs Computing kpt #: 324 total cpu time spent up to now is 601.1 secs Computing kpt #: 325 total cpu time spent up to now is 602.8 secs Computing kpt #: 326 total cpu time spent up to now is 604.5 secs Computing kpt #: 327 total cpu time spent up to now is 606.2 secs Computing kpt #: 328 total cpu time spent up to now is 607.8 secs Computing kpt #: 329 total cpu time spent up to now is 609.7 secs Computing kpt #: 330 total cpu time spent up to now is 611.4 secs Computing kpt #: 331 total cpu time spent up to now is 613.1 secs Computing kpt #: 332 total cpu time spent up to now is 614.8 secs Computing kpt #: 333 total cpu time spent up to now is 616.7 secs Computing kpt #: 334 total cpu time spent up to now is 618.6 secs Computing kpt #: 335 total cpu time spent up to now is 620.3 secs Computing kpt #: 336 total cpu time spent up to now is 622.1 secs Computing kpt #: 337 total cpu time spent up to now is 623.9 secs Computing kpt #: 338 total cpu time spent up to now is 625.7 secs Computing kpt #: 339 total cpu time spent up to now is 627.4 secs Computing kpt #: 340 total cpu time spent up to now is 629.2 secs Computing kpt #: 341 total cpu time spent up to now is 630.9 secs Computing kpt #: 342 total cpu time spent up to now is 632.6 secs Computing kpt #: 343 total cpu time spent up to now is 634.3 secs Computing kpt #: 344 total cpu time spent up to now is 635.9 secs Computing kpt #: 345 total cpu time spent up to now is 637.6 secs Computing kpt #: 346 total cpu time spent up to now is 639.3 secs Computing kpt #: 347 total cpu time spent up to now is 640.9 secs Computing kpt #: 348 total cpu time spent up to now is 642.6 secs Computing kpt #: 349 total cpu time spent up to now is 644.3 secs Computing kpt #: 350 total cpu time spent up to now is 645.9 secs Computing kpt #: 351 total cpu time spent up to now is 647.6 secs Computing kpt #: 352 total cpu time spent up to now is 649.3 secs Computing kpt #: 353 total cpu time spent up to now is 650.9 secs Computing kpt #: 354 total cpu time spent up to now is 652.5 secs Computing kpt #: 355 total cpu time spent up to now is 654.1 secs Computing kpt #: 356 total cpu time spent up to now is 655.7 secs Computing kpt #: 357 total cpu time spent up to now is 657.3 secs Computing kpt #: 358 total cpu time spent up to now is 658.9 secs Computing kpt #: 359 total cpu time spent up to now is 660.5 secs Computing kpt #: 360 total cpu time spent up to now is 662.1 secs Computing kpt #: 361 total cpu time spent up to now is 663.7 secs Computing kpt #: 362 total cpu time spent up to now is 665.5 secs Computing kpt #: 363 total cpu time spent up to now is 667.2 secs Computing kpt #: 364 total cpu time spent up to now is 668.8 secs Computing kpt #: 365 total cpu time spent up to now is 670.6 secs Computing kpt #: 366 total cpu time spent up to now is 672.3 secs Computing kpt #: 367 total cpu time spent up to now is 674.0 secs Computing kpt #: 368 total cpu time spent up to now is 675.6 secs Computing kpt #: 369 total cpu time spent up to now is 677.5 secs Computing kpt #: 370 total cpu time spent up to now is 679.1 secs Computing kpt #: 371 total cpu time spent up to now is 680.8 secs Computing kpt #: 372 total cpu time spent up to now is 682.5 secs Computing kpt #: 373 total cpu time spent up to now is 684.3 secs Computing kpt #: 374 total cpu time spent up to now is 686.1 secs Computing kpt #: 375 total cpu time spent up to now is 687.8 secs Computing kpt #: 376 total cpu time spent up to now is 689.6 secs Computing kpt #: 377 total cpu time spent up to now is 691.5 secs Computing kpt #: 378 total cpu time spent up to now is 693.2 secs Computing kpt #: 379 total cpu time spent up to now is 695.0 secs Computing kpt #: 380 total cpu time spent up to now is 696.7 secs Computing kpt #: 381 total cpu time spent up to now is 698.5 secs Computing kpt #: 382 total cpu time spent up to now is 700.4 secs Computing kpt #: 383 total cpu time spent up to now is 702.1 secs Computing kpt #: 384 total cpu time spent up to now is 703.8 secs Computing kpt #: 385 total cpu time spent up to now is 705.6 secs Computing kpt #: 386 total cpu time spent up to now is 707.4 secs Computing kpt #: 387 total cpu time spent up to now is 709.2 secs Computing kpt #: 388 total cpu time spent up to now is 711.0 secs Computing kpt #: 389 total cpu time spent up to now is 712.8 secs Computing kpt #: 390 total cpu time spent up to now is 714.6 secs Computing kpt #: 391 total cpu time spent up to now is 716.4 secs Computing kpt #: 392 total cpu time spent up to now is 718.2 secs Computing kpt #: 393 total cpu time spent up to now is 720.0 secs Computing kpt #: 394 total cpu time spent up to now is 721.9 secs Computing kpt #: 395 total cpu time spent up to now is 723.8 secs Computing kpt #: 396 total cpu time spent up to now is 725.8 secs Computing kpt #: 397 total cpu time spent up to now is 728.0 secs Computing kpt #: 398 total cpu time spent up to now is 730.2 secs Computing kpt #: 399 total cpu time spent up to now is 732.6 secs Computing kpt #: 400 total cpu time spent up to now is 735.2 secs Computing kpt #: 401 total cpu time spent up to now is 737.8 secs Computing kpt #: 402 total cpu time spent up to now is 740.4 secs Computing kpt #: 403 total cpu time spent up to now is 742.6 secs Computing kpt #: 404 total cpu time spent up to now is 744.6 secs Computing kpt #: 405 total cpu time spent up to now is 746.5 secs Computing kpt #: 406 total cpu time spent up to now is 748.3 secs Computing kpt #: 407 total cpu time spent up to now is 750.0 secs Computing kpt #: 408 total cpu time spent up to now is 751.7 secs Computing kpt #: 409 total cpu time spent up to now is 753.4 secs Computing kpt #: 410 total cpu time spent up to now is 754.9 secs Computing kpt #: 411 total cpu time spent up to now is 756.5 secs Computing kpt #: 412 total cpu time spent up to now is 758.1 secs Computing kpt #: 413 total cpu time spent up to now is 759.7 secs Computing kpt #: 414 total cpu time spent up to now is 761.3 secs Computing kpt #: 415 total cpu time spent up to now is 762.9 secs Computing kpt #: 416 total cpu time spent up to now is 764.5 secs Computing kpt #: 417 total cpu time spent up to now is 766.1 secs Computing kpt #: 418 total cpu time spent up to now is 767.6 secs Computing kpt #: 419 total cpu time spent up to now is 769.3 secs Computing kpt #: 420 total cpu time spent up to now is 771.0 secs Computing kpt #: 421 total cpu time spent up to now is 772.7 secs Computing kpt #: 422 total cpu time spent up to now is 774.3 secs Computing kpt #: 423 total cpu time spent up to now is 776.0 secs Computing kpt #: 424 total cpu time spent up to now is 777.7 secs Computing kpt #: 425 total cpu time spent up to now is 779.4 secs Computing kpt #: 426 total cpu time spent up to now is 781.3 secs Computing kpt #: 427 total cpu time spent up to now is 783.0 secs Computing kpt #: 428 total cpu time spent up to now is 784.6 secs Computing kpt #: 429 total cpu time spent up to now is 786.5 secs Computing kpt #: 430 total cpu time spent up to now is 788.1 secs Computing kpt #: 431 total cpu time spent up to now is 789.8 secs Computing kpt #: 432 total cpu time spent up to now is 791.7 secs Computing kpt #: 433 total cpu time spent up to now is 793.5 secs Computing kpt #: 434 total cpu time spent up to now is 795.2 secs Computing kpt #: 435 total cpu time spent up to now is 797.1 secs Computing kpt #: 436 total cpu time spent up to now is 798.9 secs Computing kpt #: 437 total cpu time spent up to now is 800.7 secs Computing kpt #: 438 total cpu time spent up to now is 802.6 secs Computing kpt #: 439 total cpu time spent up to now is 804.4 secs Computing kpt #: 440 total cpu time spent up to now is 806.2 secs Computing kpt #: 441 total cpu time spent up to now is 808.1 secs Computing kpt #: 442 total cpu time spent up to now is 809.9 secs Computing kpt #: 443 total cpu time spent up to now is 811.8 secs Computing kpt #: 444 total cpu time spent up to now is 813.6 secs Computing kpt #: 445 total cpu time spent up to now is 815.3 secs Computing kpt #: 446 total cpu time spent up to now is 817.1 secs Computing kpt #: 447 total cpu time spent up to now is 818.9 secs Computing kpt #: 448 total cpu time spent up to now is 820.6 secs Computing kpt #: 449 total cpu time spent up to now is 822.4 secs Computing kpt #: 450 total cpu time spent up to now is 824.3 secs Computing kpt #: 451 total cpu time spent up to now is 826.1 secs Computing kpt #: 452 total cpu time spent up to now is 828.0 secs Computing kpt #: 453 total cpu time spent up to now is 829.8 secs Computing kpt #: 454 total cpu time spent up to now is 831.5 secs Computing kpt #: 455 total cpu time spent up to now is 833.4 secs Computing kpt #: 456 total cpu time spent up to now is 835.1 secs Computing kpt #: 457 total cpu time spent up to now is 836.8 secs Computing kpt #: 458 total cpu time spent up to now is 838.6 secs Computing kpt #: 459 total cpu time spent up to now is 840.3 secs Computing kpt #: 460 total cpu time spent up to now is 842.0 secs Computing kpt #: 461 total cpu time spent up to now is 843.7 secs Computing kpt #: 462 total cpu time spent up to now is 845.4 secs Computing kpt #: 463 total cpu time spent up to now is 847.2 secs Computing kpt #: 464 total cpu time spent up to now is 848.9 secs Computing kpt #: 465 total cpu time spent up to now is 850.6 secs Computing kpt #: 466 total cpu time spent up to now is 852.3 secs Computing kpt #: 467 total cpu time spent up to now is 854.0 secs Computing kpt #: 468 total cpu time spent up to now is 855.7 secs Computing kpt #: 469 total cpu time spent up to now is 857.4 secs Computing kpt #: 470 total cpu time spent up to now is 859.1 secs Computing kpt #: 471 total cpu time spent up to now is 860.7 secs Computing kpt #: 472 total cpu time spent up to now is 862.4 secs Computing kpt #: 473 total cpu time spent up to now is 864.1 secs Computing kpt #: 474 total cpu time spent up to now is 865.8 secs Computing kpt #: 475 total cpu time spent up to now is 867.4 secs Computing kpt #: 476 total cpu time spent up to now is 869.1 secs Computing kpt #: 477 total cpu time spent up to now is 870.7 secs Computing kpt #: 478 total cpu time spent up to now is 872.3 secs Computing kpt #: 479 total cpu time spent up to now is 873.9 secs Computing kpt #: 480 total cpu time spent up to now is 875.5 secs ethr = 2.94E-11, avg # of iterations = 39.2 total cpu time spent up to now is 875.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1703 PWs) bands (ev): -1.3972 -1.3972 1.3037 1.3037 2.8224 2.8224 6.4250 6.4250 6.7913 6.7913 7.9076 7.9076 8.5625 8.5625 8.9784 8.9784 9.0666 9.0666 9.1931 9.1931 10.4348 10.4348 11.2832 11.2832 11.6312 11.6312 11.8103 11.8103 12.9443 12.9443 13.7941 13.7941 14.2417 14.2417 15.9444 15.9444 17.4256 17.4256 17.6276 17.6276 17.9184 17.9184 k = 0.0093 0.0023-0.0166 ( 1705 PWs) bands (ev): -1.3957 -1.3957 1.3031 1.3031 2.8240 2.8240 6.4223 6.4223 6.7904 6.7904 7.9067 7.9067 8.5640 8.5640 8.9778 8.9778 9.0652 9.0652 9.1944 9.1944 10.4369 10.4369 11.2828 11.2828 11.6291 11.6291 11.8124 11.8124 12.9427 12.9427 13.7960 13.7960 14.2454 14.2454 15.9427 15.9427 17.4237 17.4237 17.6272 17.6272 17.9200 17.9200 k = 0.0185 0.0045-0.0332 ( 1707 PWs) bands (ev): -1.3915 -1.3915 1.3014 1.3014 2.8285 2.8285 6.4143 6.4143 6.7877 6.7877 7.9044 7.9044 8.5685 8.5685 8.9763 8.9763 9.0613 9.0613 9.1983 9.1983 10.4431 10.4431 11.2817 11.2817 11.6232 11.6232 11.8187 11.8187 12.9383 12.9383 13.8015 13.8015 14.2568 14.2568 15.9377 15.9377 17.4180 17.4180 17.6259 17.6259 17.9249 17.9249 k = 0.0278 0.0068-0.0498 ( 1706 PWs) bands (ev): -1.3844 -1.3844 1.2985 1.2985 2.8361 2.8361 6.4013 6.4013 6.7828 6.7828 7.9009 7.9009 8.5753 8.5753 8.9737 8.9737 9.0553 9.0553 9.2048 9.2048 10.4530 10.4530 11.2801 11.2801 11.6145 11.6145 11.8284 11.8284 12.9313 12.9313 13.8097 13.8097 14.2757 14.2757 15.9295 15.9295 17.4086 17.4086 17.6236 17.6236 17.9329 17.9329 k = 0.0370 0.0091-0.0664 ( 1706 PWs) bands (ev): -1.3744 -1.3744 1.2947 1.2947 2.8465 2.8465 6.3836 6.3836 6.7750 6.7750 7.8970 7.8970 8.5841 8.5841 8.9700 8.9700 9.0477 9.0477 9.2140 9.2140 10.4655 10.4655 11.2782 11.2782 11.6039 11.6039 11.8406 11.8406 12.9224 12.9224 13.8200 13.8200 14.3023 14.3023 15.9181 15.9181 17.3955 17.3955 17.6202 17.6202 17.9441 17.9441 k = 0.0463 0.0113-0.0830 ( 1706 PWs) bands (ev): -1.3617 -1.3617 1.2899 1.2899 2.8595 2.8595 6.3619 6.3619 6.7639 6.7639 7.8932 7.8932 8.5940 8.5940 8.9653 8.9653 9.0394 9.0394 9.2258 9.2258 10.4796 10.4796 11.2764 11.2764 11.5926 11.5926 11.8549 11.8549 12.9124 12.9124 13.8310 13.8310 14.3364 14.3364 15.9036 15.9036 17.3788 17.3788 17.6153 17.6153 17.9584 17.9584 k = 0.0556 0.0136-0.0996 ( 1708 PWs) bands (ev): -1.3461 -1.3461 1.2843 1.2843 2.8751 2.8751 6.3363 6.3363 6.7489 6.7489 7.8904 7.8904 8.6038 8.6038 8.9597 8.9597 9.0314 9.0314 9.2401 9.2401 10.4941 10.4941 11.2751 11.2751 11.5816 11.5816 11.8705 11.8705 12.9017 12.9017 13.8416 13.8416 14.3780 14.3780 15.8861 15.8861 17.3588 17.3588 17.6088 17.6088 17.9757 17.9757 k = 0.0648 0.0159-0.1162 ( 1706 PWs) bands (ev): -1.3277 -1.3277 1.2780 1.2780 2.8930 2.8930 6.3074 6.3074 6.7298 6.7298 7.8892 7.8892 8.6124 8.6124 8.9538 8.9538 9.0244 9.0244 9.2568 9.2568 10.5077 10.5077 11.2750 11.2750 11.5721 11.5721 11.8874 11.8874 12.8913 12.8913 13.8508 13.8508 14.4266 14.4266 15.8658 15.8658 17.3356 17.3356 17.6001 17.6001 17.9957 17.9957 k = 0.0741 0.0181-0.1328 ( 1705 PWs) bands (ev): -1.3065 -1.3065 1.2713 1.2713 2.9129 2.9129 6.2752 6.2752 6.7066 6.7066 7.8900 7.8900 8.6187 8.6187 8.9486 8.9486 9.0187 9.0187 9.2759 9.2759 10.5189 10.5189 11.2762 11.2762 11.5651 11.5651 11.9052 11.9052 12.8814 12.8814 13.8578 13.8578 14.4819 14.4819 15.8427 15.8427 17.3095 17.3095 17.5889 17.5889 18.0181 18.0181 k = 0.0833 0.0204-0.1494 ( 1707 PWs) bands (ev): -1.2826 -1.2826 1.2642 1.2642 2.9345 2.9345 6.2398 6.2398 6.6794 6.6794 7.8931 7.8931 8.6216 8.6216 8.9449 8.9449 9.0144 9.0144 9.2973 9.2973 10.5265 10.5265 11.2789 11.2789 11.5617 11.5617 11.9238 11.9238 12.8727 12.8727 13.8617 13.8617 14.5433 14.5433 15.8171 15.8171 17.2808 17.2808 17.5747 17.5747 18.0422 18.0422 k = 0.0926 0.0226-0.1661 ( 1705 PWs) bands (ev): -1.2558 -1.2558 1.2570 1.2570 2.9576 2.9576 6.2012 6.2012 6.6488 6.6488 7.8988 7.8988 8.6203 8.6203 8.9438 8.9438 9.0113 9.0113 9.3208 9.3208 10.5298 10.5298 11.2830 11.2830 11.5631 11.5631 11.9431 11.9431 12.8655 12.8655 13.8619 13.8619 14.6101 14.6101 15.7891 15.7891 17.2498 17.2498 17.5570 17.5570 18.0671 18.0671 k = 0.1019 0.0249-0.1827 ( 1703 PWs) bands (ev): -1.2264 -1.2264 1.2497 1.2497 2.9818 2.9818 6.1591 6.1591 6.6156 6.6156 7.9070 7.9070 8.6147 8.6147 8.9457 8.9457 9.0092 9.0092 9.3466 9.3466 10.5281 10.5281 11.2880 11.2880 11.5704 11.5704 11.9631 11.9631 12.8600 12.8600 13.8577 13.8577 14.6818 14.6818 15.7586 15.7586 17.2170 17.2170 17.5354 17.5354 18.0900 18.0900 k = 0.1111 0.0272-0.1993 ( 1704 PWs) bands (ev): -1.1942 -1.1942 1.2427 1.2427 3.0068 3.0068 6.1130 6.1130 6.5809 6.5809 7.9175 7.9175 8.6049 8.6049 8.9506 8.9506 9.0081 9.0081 9.3743 9.3743 10.5214 10.5214 11.2932 11.2932 11.5846 11.5846 11.9836 11.9836 12.8563 12.8563 13.8487 13.8487 14.7578 14.7578 15.7259 15.7259 17.1824 17.1824 17.5092 17.5092 18.1039 18.1039 k = 0.1204 0.0294-0.2159 ( 1707 PWs) bands (ev): -1.1594 -1.1594 1.2360 1.2360 3.0323 3.0323 6.0627 6.0627 6.5458 6.5458 7.9302 7.9302 8.5915 8.5915 8.9577 8.9577 9.0079 9.0079 9.4041 9.4041 10.5102 10.5102 11.2980 11.2980 11.6061 11.6061 12.0046 12.0046 12.8547 12.8547 13.8342 13.8342 14.8374 14.8374 15.6909 15.6909 17.1465 17.1465 17.4779 17.4779 18.0908 18.0908 k = 0.1296 0.0317-0.2325 ( 1707 PWs) bands (ev): -1.1219 -1.1219 1.2297 1.2297 3.0579 3.0579 6.0077 6.0077 6.5115 6.5115 7.9447 7.9447 8.5755 8.5755 8.9658 8.9658 9.0089 9.0089 9.4360 9.4360 10.4949 10.4949 11.3021 11.3021 11.6346 11.6346 12.0262 12.0262 12.8549 12.8549 13.8139 13.8139 14.9202 14.9202 15.6539 15.6539 17.1095 17.1095 17.4409 17.4409 18.0468 18.0468 k = 0.1389 0.0340-0.2491 ( 1707 PWs) bands (ev): -1.0818 -1.0818 1.2241 1.2241 3.0834 3.0834 5.9476 5.9476 6.4791 6.4791 7.9608 7.9608 8.5576 8.5576 8.9737 8.9737 9.0114 9.0114 9.4696 9.4696 10.4766 10.4766 11.3055 11.3055 11.6697 11.6697 12.0485 12.0485 12.8569 12.8569 13.7875 13.7875 15.0056 15.0056 15.6148 15.6148 17.0716 17.0716 17.3980 17.3980 17.9931 17.9931 k = 0.1481 0.0362-0.2657 ( 1705 PWs) bands (ev): -1.0390 -1.0390 1.2192 1.2192 3.1083 3.1083 5.8823 5.8823 6.4497 6.4497 7.9780 7.9780 8.5386 8.5386 8.9800 8.9800 9.0161 9.0161 9.5052 9.5052 10.4561 10.4561 11.3086 11.3086 11.7100 11.7100 12.0713 12.0713 12.8608 12.8608 13.7548 13.7548 15.0931 15.0931 15.5738 15.5738 17.0330 17.0330 17.3495 17.3495 17.9407 17.9407 k = 0.1574 0.0385-0.2823 ( 1705 PWs) bands (ev): -0.9938 -0.9938 1.2153 1.2153 3.1324 3.1324 5.8116 5.8116 6.4240 6.4240 7.9961 7.9961 8.5192 8.5192 8.9838 8.9838 9.0228 9.0228 9.5425 9.5425 10.4344 10.4344 11.3116 11.3116 11.7546 11.7546 12.0949 12.0949 12.8660 12.8660 13.7155 13.7155 15.1817 15.1817 15.5310 15.5310 16.9934 16.9934 17.2961 17.2961 17.8929 17.8929 k = 0.1667 0.0408-0.2989 ( 1709 PWs) bands (ev): -0.9460 -0.9460 1.2123 1.2123 3.1552 3.1552 5.7359 5.7359 6.4023 6.4023 8.0148 8.0148 8.4999 8.4999 8.9855 8.9855 9.0306 9.0306 9.5815 9.5815 10.4123 10.4123 11.3150 11.3150 11.8020 11.8020 12.1192 12.1192 12.8725 12.8725 13.6699 13.6699 15.2704 15.2704 15.4872 15.4872 16.9526 16.9526 17.2395 17.2395 17.8505 17.8505 k = 0.1759 0.0430-0.3155 ( 1709 PWs) bands (ev): -0.8957 -0.8957 1.2104 1.2104 3.1765 3.1765 5.6556 5.6556 6.3851 6.3851 8.0337 8.0337 8.4812 8.4812 8.9857 8.9857 9.0385 9.0385 9.6221 9.6221 10.3907 10.3907 11.3190 11.3190 11.8512 11.8512 12.1446 12.1446 12.8796 12.8796 13.6183 13.6183 15.3535 15.3535 15.4476 15.4476 16.9098 16.9098 17.1818 17.1818 17.8136 17.8136 k = 0.1852 0.0453-0.3321 ( 1711 PWs) bands (ev): -0.8430 -0.8430 1.2097 1.2097 3.1958 3.1958 5.5710 5.5710 6.3724 6.3724 8.0524 8.0524 8.4636 8.4636 8.9848 8.9848 9.0456 9.0456 9.6643 9.6643 10.3701 10.3701 11.3239 11.3239 11.9008 11.9008 12.1712 12.1712 12.8869 12.8869 13.5612 13.5612 15.3717 15.3717 15.4706 15.4706 16.8643 16.8643 17.1256 17.1256 17.7817 17.7817 k = 0.1944 0.0476-0.3487 ( 1711 PWs) bands (ev): -0.7879 -0.7879 1.2103 1.2103 3.2130 3.2130 5.4827 5.4827 6.3645 6.3645 8.0708 8.0708 8.4475 8.4475 8.9830 8.9830 9.0514 9.0514 9.7081 9.7081 10.3513 10.3513 11.3298 11.3298 11.9497 11.9497 12.1993 12.1993 12.8937 12.8937 13.4998 13.4998 15.3270 15.3270 15.5535 15.5535 16.8151 16.8151 17.0735 17.0735 17.7542 17.7542 k = 0.2037 0.0498-0.3653 ( 1715 PWs) bands (ev): -0.7305 -0.7305 1.2123 1.2123 3.2277 3.2277 5.3910 5.3910 6.3612 6.3612 8.0883 8.0883 8.4333 8.4333 8.9802 8.9802 9.0556 9.0556 9.7532 9.7532 10.3346 10.3346 11.3369 11.3369 11.9966 11.9966 12.2291 12.2291 12.8985 12.8985 13.4356 13.4356 15.2745 15.2745 15.6404 15.6404 16.7620 16.7620 17.0274 17.0274 17.7306 17.7306 k = 0.2130 0.0521-0.3819 ( 1717 PWs) bands (ev): -0.6707 -0.6707 1.2157 1.2157 3.2396 3.2396 5.2964 5.2964 6.3625 6.3625 8.1046 8.1046 8.4215 8.4215 8.9766 8.9766 9.0582 9.0582 9.7998 9.7998 10.3204 10.3204 11.3454 11.3454 12.0402 12.0402 12.2606 12.2606 12.9001 12.9001 13.3708 13.3708 15.2188 15.2188 15.7254 15.7254 16.7060 16.7060 16.9883 16.9883 17.7105 17.7105 k = 0.2222 0.0544-0.3985 ( 1715 PWs) bands (ev): -0.6088 -0.6088 1.2206 1.2206 3.2486 3.2486 5.1996 5.1996 6.3685 6.3685 8.1194 8.1194 8.4126 8.4126 8.9719 8.9719 9.0591 9.0591 9.8477 9.8477 10.3089 10.3089 11.3552 11.3552 12.0797 12.0797 12.2935 12.2935 12.8959 12.8959 13.3088 13.3088 15.1605 15.1605 15.8063 15.8063 16.6492 16.6492 16.9564 16.9564 17.6937 17.6937 k = 0.2315 0.0566-0.4151 ( 1714 PWs) bands (ev): -0.5446 -0.5446 1.2271 1.2271 3.2544 3.2544 5.1006 5.1006 6.3789 6.3789 8.1322 8.1322 8.4071 8.4071 8.9661 8.9661 9.0586 9.0586 9.8969 9.8969 10.3000 10.3000 11.3663 11.3663 12.1143 12.1143 12.3264 12.3264 12.8831 12.8831 13.2539 13.2539 15.0999 15.0999 15.8806 15.8806 16.5944 16.5944 16.9313 16.9313 17.6800 17.6800 k = 0.2407 0.0589-0.4317 ( 1714 PWs) bands (ev): -0.4784 -0.4784 1.2352 1.2352 3.2568 3.2568 5.0001 5.0001 6.3937 6.3937 8.1427 8.1427 8.4052 8.4052 8.9591 8.9591 9.0568 9.0568 9.9472 9.9472 10.2940 10.2940 11.3788 11.3788 12.1435 12.1435 12.3572 12.3572 12.8596 12.8596 13.2108 13.2108 15.0372 15.0372 15.9452 15.9452 16.5453 16.5453 16.9129 16.9129 17.6692 17.6692 k = 0.2500 0.0612-0.4483 ( 1714 PWs) bands (ev): -0.4101 -0.4101 1.2449 1.2449 3.2558 3.2558 4.8981 4.8981 6.4126 6.4126 8.1509 8.1509 8.4071 8.4071 8.9509 8.9509 9.0540 9.0540 9.9985 9.9985 10.2906 10.2906 11.3924 11.3924 12.1668 12.1668 12.3825 12.3825 12.8269 12.8269 13.1817 13.1817 14.9724 14.9724 15.9960 15.9960 16.5060 16.5060 16.9016 16.9016 17.6613 17.6613 k = 0.2593 0.0634-0.4650 ( 1714 PWs) bands (ev): -0.3398 -0.3398 1.2563 1.2563 3.2512 3.2512 4.7951 4.7951 6.4356 6.4356 8.1568 8.1568 8.4129 8.4129 8.9415 8.9415 9.0504 9.0504 10.0507 10.0507 10.2898 10.2898 11.4071 11.4071 12.1826 12.1826 12.3979 12.3979 12.7916 12.7916 13.1655 13.1655 14.9056 14.9056 16.0292 16.0292 16.4798 16.4798 16.8983 16.8983 17.6562 17.6562 k = 0.2685 0.0657-0.4816 ( 1715 PWs) bands (ev): -0.2676 -0.2676 1.2695 1.2695 3.2430 3.2430 4.6913 4.6913 6.4624 6.4624 8.1608 8.1608 8.4222 8.4222 8.9308 8.9308 9.0465 9.0465 10.1035 10.1035 10.2917 10.2917 11.4228 11.4228 12.1877 12.1877 12.4004 12.4004 12.7630 12.7630 13.1592 13.1592 14.8370 14.8370 16.0432 16.0432 16.4671 16.4671 16.9043 16.9043 17.6538 17.6538 k = 0.2778 0.0679-0.4982 ( 1717 PWs) bands (ev): -0.1936 -0.1936 1.2844 1.2844 3.2312 3.2312 4.5869 4.5869 6.4927 6.4927 8.1635 8.1635 8.4346 8.4346 8.9190 8.9190 9.0424 9.0424 10.1561 10.1561 10.2964 10.2964 11.4390 11.4390 12.1760 12.1760 12.3932 12.3932 12.7466 12.7466 13.1602 13.1602 14.7667 14.7667 16.0413 16.0413 16.4639 16.4639 16.9209 16.9209 17.6543 17.6543 k = 0.2870 0.0702-0.5148 ( 1717 PWs) bands (ev): -0.1178 -0.1178 1.3011 1.3011 3.2158 3.2158 4.4820 4.4820 6.5263 6.5263 8.1654 8.1654 8.4494 8.4494 8.9063 8.9063 9.0383 9.0383 10.2066 10.2066 10.3056 10.3056 11.4553 11.4553 12.1416 12.1416 12.3857 12.3857 12.7404 12.7404 13.1672 13.1672 14.6949 14.6949 16.0299 16.0299 16.4639 16.4639 16.9483 16.9483 17.6575 17.6575 k = 0.2963 0.0725-0.5314 ( 1714 PWs) bands (ev): -0.0403 -0.0403 1.3195 1.3195 3.1968 3.1968 4.3771 4.3771 6.5627 6.5627 8.1672 8.1672 8.4661 8.4661 8.8930 8.8930 9.0345 9.0345 10.2494 10.2494 10.3243 10.3243 11.4709 11.4709 12.0855 12.0855 12.3844 12.3844 12.7379 12.7379 13.1799 13.1799 14.6217 14.6217 16.0153 16.0153 16.4620 16.4620 16.9855 16.9855 17.6631 17.6631 k = 0.3056 0.0747-0.5480 ( 1714 PWs) bands (ev): 0.0388 0.0388 1.3397 1.3397 3.1745 3.1745 4.2721 4.2721 6.6017 6.6017 8.1692 8.1692 8.4842 8.4842 8.8793 8.8793 9.0309 9.0309 10.2762 10.2762 10.3604 10.3604 11.4846 11.4846 12.0153 12.0153 12.3886 12.3886 12.7329 12.7329 13.1981 13.1981 14.5471 14.5471 16.0023 16.0023 16.4559 16.4559 17.0300 17.0300 17.6709 17.6709 k = 0.3148 0.0770-0.5646 ( 1716 PWs) bands (ev): 0.1194 0.1194 1.3617 1.3617 3.1487 3.1487 4.1673 4.1673 6.6428 6.6428 8.1720 8.1720 8.5032 8.5032 8.8656 8.8656 9.0278 9.0278 10.2904 10.2904 10.4101 10.4101 11.4940 11.4940 11.9403 11.9403 12.3954 12.3954 12.7221 12.7221 13.2221 13.2221 14.4713 14.4713 15.9938 15.9938 16.4455 16.4455 17.0790 17.0790 17.6795 17.6795 k = 0.3241 0.0793-0.5812 ( 1718 PWs) bands (ev): 0.2014 0.2014 1.3854 1.3854 3.1197 3.1197 4.0629 4.0629 6.6856 6.6856 8.1758 8.1758 8.5226 8.5226 8.8522 8.8522 9.0253 9.0253 10.2995 10.2995 10.4654 10.4654 11.4951 11.4951 11.8691 11.8691 12.4023 12.4023 12.7040 12.7040 13.2513 13.2513 14.3946 14.3946 15.9914 15.9914 16.4316 16.4316 17.1296 17.1296 17.6862 17.6862 k = 0.3333 0.0815-0.5978 ( 1719 PWs) bands (ev): 0.2848 0.2848 1.4109 1.4109 3.0875 3.0875 3.9589 3.9589 6.7296 6.7296 8.1808 8.1808 8.5419 8.5419 8.8397 8.8397 9.0234 9.0234 10.3064 10.3064 10.5229 10.5229 11.4814 11.4814 11.8114 11.8114 12.4071 12.4071 12.6794 12.6794 13.2848 13.2848 14.3170 14.3170 15.9961 15.9961 16.4153 16.4153 17.1795 17.1795 17.6850 17.6850 k = 0.3426 0.0838-0.6144 ( 1719 PWs) bands (ev): 0.3694 0.3694 1.4380 1.4380 3.0525 3.0525 3.8556 3.8556 6.7744 6.7744 8.1872 8.1872 8.5607 8.5607 8.8284 8.8284 9.0224 9.0224 10.3119 10.3119 10.5813 10.5813 11.4467 11.4467 11.7753 11.7753 12.4070 12.4070 12.6511 12.6511 13.3213 13.3213 14.2388 14.2388 16.0076 16.0076 16.3980 16.3980 17.2269 17.2269 17.6743 17.6743 k = 0.3519 0.0861-0.6310 ( 1717 PWs) bands (ev): 0.4551 0.4551 1.4668 1.4668 3.0146 3.0146 3.7532 3.7532 6.8196 6.8196 8.1951 8.1951 8.5783 8.5783 8.8189 8.8189 9.0222 9.0222 10.3161 10.3161 10.6399 10.6399 11.3915 11.3915 11.7617 11.7617 12.3985 12.3985 12.6233 12.6233 13.3599 13.3599 14.1604 14.1604 16.0253 16.0253 16.3811 16.3811 17.2702 17.2702 17.6592 17.6592 k = 0.3611 0.0883-0.6476 ( 1713 PWs) bands (ev): 0.5419 0.5419 1.4971 1.4971 2.9739 2.9739 3.6518 3.6518 6.8647 6.8647 8.2044 8.2044 8.5941 8.5941 8.8116 8.8116 9.0230 9.0230 10.3190 10.3190 10.6981 10.6981 11.3236 11.3236 11.7640 11.7640 12.3775 12.3775 12.6012 12.6012 13.3995 13.3995 14.0820 14.0820 16.0475 16.0475 16.3667 16.3667 17.3084 17.3084 17.6433 17.6433 k = 0.3704 0.0906-0.6642 ( 1716 PWs) bands (ev): 0.6295 0.6295 1.5289 1.5289 2.9307 2.9307 3.5516 3.5516 6.9091 6.9091 8.2152 8.2152 8.6074 8.6074 8.8072 8.8072 9.0249 9.0249 10.3205 10.3205 10.7553 10.7553 11.2506 11.2506 11.7755 11.7755 12.3420 12.3420 12.5879 12.5879 13.4390 13.4390 14.0041 14.0041 16.0713 16.0713 16.3576 16.3576 17.3407 17.3407 17.6278 17.6278 k = 0.3796 0.0929-0.6808 ( 1720 PWs) bands (ev): 0.7179 0.7179 1.5621 1.5621 2.8850 2.8850 3.4529 3.4529 6.9524 6.9524 8.2272 8.2272 8.6179 8.6179 8.8057 8.8057 9.0277 9.0277 10.3207 10.3207 10.8105 10.8105 11.1780 11.1780 11.7918 11.7918 12.2942 12.2942 12.5830 12.5830 13.4775 13.4775 13.9272 13.9272 16.0925 16.0925 16.3578 16.3578 17.3667 17.3667 17.6126 17.6126 k = 0.3889 0.0951-0.6974 ( 1724 PWs) bands (ev): 0.8070 0.8070 1.5965 1.5965 2.8370 2.8370 3.3560 3.3560 6.9943 6.9943 8.2404 8.2404 8.6253 8.6253 8.8074 8.8074 9.0317 9.0317 10.3197 10.3197 10.8619 10.8619 11.1099 11.1099 11.8105 11.8105 12.2382 12.2382 12.5838 12.5838 13.5138 13.5138 13.8524 13.8524 16.1063 16.1063 16.3717 16.3717 17.3864 17.3864 17.5969 17.5969 k = 0.3981 0.0974-0.7140 ( 1724 PWs) bands (ev): 0.8965 0.8965 1.6320 1.6320 2.7866 2.7866 3.2613 3.2613 7.0343 7.0343 8.2546 8.2546 8.6301 8.6301 8.8116 8.8116 9.0363 9.0363 10.3179 10.3179 10.9035 10.9035 11.0531 11.0531 11.8301 11.8301 12.1781 12.1781 12.5881 12.5881 13.5459 13.5459 13.7821 13.7821 16.1102 16.1102 16.4014 16.4014 17.3998 17.3998 17.5797 17.5797 k = 0.4074 0.0997-0.7306 ( 1718 PWs) bands (ev): 0.9864 0.9864 1.6683 1.6683 2.7340 2.7340 3.1693 3.1693 7.0720 7.0720 8.2693 8.2693 8.6330 8.6330 8.8179 8.8179 9.0415 9.0415 10.3158 10.3158 10.9144 10.9144 11.0289 11.0289 11.8495 11.8495 12.1172 12.1172 12.5943 12.5943 13.5676 13.5676 13.7224 13.7224 16.1053 16.1053 16.4452 16.4452 17.4075 17.4075 17.5602 17.5602 k = 0.4167 0.1019-0.7472 ( 1720 PWs) bands (ev): 1.0763 1.0763 1.7051 1.7051 2.6790 2.6790 3.0806 3.0806 7.1071 7.1071 8.2842 8.2842 8.6347 8.6347 8.8253 8.8253 9.0464 9.0464 10.3142 10.3142 10.8815 10.8815 11.0496 11.0496 11.8672 11.8672 12.0587 12.0587 12.6016 12.6016 13.5614 13.5614 13.6906 13.6906 16.0946 16.0946 16.4993 16.4993 17.4092 17.4092 17.5392 17.5392 k = 0.4259 0.1042-0.7639 ( 1722 PWs) bands (ev): 1.1660 1.1660 1.7419 1.7419 2.6216 2.6216 2.9960 2.9960 7.1392 7.1392 8.2989 8.2989 8.6360 8.6360 8.8334 8.8334 9.0505 9.0505 10.3140 10.3140 10.8353 10.8353 11.0839 11.0839 11.8812 11.8812 12.0068 12.0068 12.6094 12.6094 13.5196 13.5196 13.6952 13.6952 16.0810 16.0810 16.5602 16.5602 17.4052 17.4052 17.5190 17.5190 k = 0.4352 0.1064-0.7805 ( 1718 PWs) bands (ev): 1.2552 1.2552 1.7781 1.7781 2.5620 2.5620 2.9165 2.9165 7.1681 7.1681 8.3130 8.3130 8.6375 8.6375 8.8418 8.8418 9.0533 9.0533 10.3163 10.3163 10.7887 10.7887 11.1173 11.1173 11.8850 11.8850 11.9692 11.9692 12.6175 12.6175 13.4643 13.4643 13.7142 13.7142 16.0664 16.0664 16.6252 16.6252 17.3954 17.3954 17.5026 17.5026 k = 0.4444 0.1087-0.7971 ( 1716 PWs) bands (ev): 1.3434 1.3434 1.8130 1.8130 2.5004 2.5004 2.8432 2.8432 7.1936 7.1936 8.3258 8.3258 8.6395 8.6395 8.8504 8.8504 9.0540 9.0540 10.3218 10.3218 10.7443 10.7443 11.1460 11.1460 11.8693 11.8693 11.9568 11.9568 12.6256 12.6256 13.4086 13.4086 13.7356 13.7356 16.0520 16.0520 16.6915 16.6915 17.3806 17.3806 17.4912 17.4912 k = 0.4537 0.1110-0.8137 ( 1718 PWs) bands (ev): 1.4298 1.4298 1.8451 1.8451 2.4376 2.4376 2.7772 2.7772 7.2154 7.2154 8.3372 8.3372 8.6419 8.6419 8.8590 8.8590 9.0526 9.0526 10.3314 10.3314 10.7022 10.7022 11.1685 11.1685 11.8432 11.8432 11.9611 11.9611 12.6335 12.6335 13.3567 13.3567 13.7555 13.7555 16.0387 16.0387 16.7570 16.7570 17.3628 17.3628 17.4850 17.4850 k = 0.4630 0.1132-0.8303 ( 1720 PWs) bands (ev): 1.5134 1.5134 1.8726 1.8726 2.3754 2.3754 2.7199 2.7199 7.2335 7.2335 8.3468 8.3468 8.6448 8.6448 8.8675 8.8675 9.0491 9.0491 10.3450 10.3450 10.6626 10.6626 11.1847 11.1847 11.8194 11.8194 11.9697 11.9697 12.6409 12.6409 13.3109 13.3109 13.7728 13.7728 16.0272 16.0272 16.8191 16.8191 17.3443 17.3443 17.4830 17.4830 k = 0.4722 0.1155-0.8469 ( 1722 PWs) bands (ev): 1.5921 1.5921 1.8930 1.8930 2.3169 2.3169 2.6726 2.6726 7.2477 7.2477 8.3542 8.3542 8.6476 8.6476 8.8755 8.8755 9.0443 9.0443 10.3621 10.3621 10.6260 10.6260 11.1952 11.1952 11.8016 11.8016 11.9779 11.9779 12.6474 12.6474 13.2730 13.2730 13.7866 13.7866 16.0178 16.0178 16.8747 16.8747 17.3268 17.3268 17.4846 17.4846 k = 0.4815 0.1178-0.8635 ( 1724 PWs) bands (ev): 1.6624 1.6624 1.9032 1.9032 2.2674 2.2674 2.6370 2.6370 7.2578 7.2578 8.3596 8.3596 8.6501 8.6501 8.8823 8.8823 9.0392 9.0392 10.3807 10.3807 10.5939 10.5939 11.2012 11.2012 11.7901 11.7901 11.9843 11.9843 12.6526 12.6526 13.2445 13.2445 13.7968 13.7968 16.0109 16.0109 16.9199 16.9199 17.3120 17.3120 17.4893 17.4893 k = 0.4907 0.1200-0.8801 ( 1720 PWs) bands (ev): 1.7162 1.7162 1.9027 1.9027 2.2337 2.2337 2.6147 2.6147 7.2640 7.2640 8.3629 8.3629 8.6519 8.6519 8.8871 8.8871 9.0353 9.0353 10.3968 10.3968 10.5700 10.5700 11.2041 11.2041 11.7838 11.7838 11.9884 11.9884 12.6560 12.6560 13.2268 13.2268 13.8030 13.8030 16.0067 16.0067 16.9500 16.9500 17.3017 17.3017 17.4960 17.4960 k = 0.5000 0.1223-0.8967 ( 1722 PWs) bands (ev): 1.7380 1.7380 1.8996 1.8996 2.2217 2.2217 2.6071 2.6071 7.2660 7.2660 8.3639 8.3639 8.6525 8.6525 8.8888 8.8888 9.0338 9.0338 10.4034 10.4034 10.5606 10.5606 11.2050 11.2050 11.7818 11.7818 11.9898 11.9898 12.6572 12.6572 13.2208 13.2208 13.8051 13.8051 16.0053 16.0053 16.9606 16.9606 17.2980 17.2980 17.4998 17.4998 k = 0.5000 0.1223-0.8967 ( 1722 PWs) bands (ev): 1.7380 1.7380 1.8996 1.8996 2.2217 2.2217 2.6071 2.6071 7.2660 7.2660 8.3639 8.3639 8.6525 8.6525 8.8888 8.8888 9.0338 9.0338 10.4034 10.4034 10.5606 10.5606 11.2050 11.2050 11.7818 11.7818 11.9898 11.9898 12.6572 12.6572 13.2208 13.2208 13.8051 13.8051 16.0053 16.0053 16.9606 16.9606 17.2980 17.2980 17.4998 17.4998 k = 0.5151 0.1260-0.8878 ( 1722 PWs) bands (ev): 1.7353 1.7353 1.9021 1.9021 2.2072 2.2072 2.6236 2.6236 7.2652 7.2652 8.3614 8.3614 8.6403 8.6403 8.8820 8.8820 9.0531 9.0531 10.3965 10.3965 10.5696 10.5696 11.2058 11.2058 11.7810 11.7810 11.9854 11.9854 12.6582 12.6582 13.2270 13.2270 13.8044 13.8044 16.0050 16.0050 16.9600 16.9600 17.2923 17.2923 17.4968 17.4968 k = 0.5301 0.1297-0.8789 ( 1718 PWs) bands (ev): 1.7270 1.7270 1.9092 1.9092 2.1700 2.1700 2.6670 2.6670 7.2626 7.2626 8.3527 8.3527 8.6081 8.6081 8.8716 8.8716 9.0981 9.0981 10.3788 10.3788 10.5932 10.5932 11.2081 11.2081 11.7788 11.7788 11.9726 11.9726 12.6610 12.6610 13.2456 13.2456 13.8026 13.8026 16.0041 16.0041 16.9582 16.9582 17.2767 17.2767 17.4910 17.4910 k = 0.5301 0.1297-0.8789 ( 1718 PWs) bands (ev): 1.7270 1.7270 1.9092 1.9092 2.1700 2.1700 2.6670 2.6670 7.2626 7.2626 8.3527 8.3527 8.6081 8.6081 8.8716 8.8716 9.0981 9.0981 10.3788 10.3788 10.5932 10.5932 11.2081 11.2081 11.7788 11.7788 11.9726 11.9726 12.6610 12.6610 13.2456 13.2456 13.8026 13.8026 16.0041 16.0041 16.9582 16.9582 17.2767 17.2767 17.4910 17.4910 k = 0.5295 0.1295-0.8598 ( 1719 PWs) bands (ev): 1.6849 1.6849 1.9286 1.9286 2.1341 2.1341 2.7298 2.7298 7.2644 7.2644 8.3348 8.3348 8.5831 8.5831 8.8624 8.8624 9.1389 9.1389 10.3685 10.3685 10.6027 10.6027 11.2052 11.2052 11.7795 11.7795 11.9755 11.9755 12.6609 12.6609 13.2589 13.2589 13.8015 13.8015 16.0044 16.0044 16.9442 16.9442 17.2710 17.2710 17.4979 17.4979 k = 0.5289 0.1294-0.8407 ( 1721 PWs) bands (ev): 1.6275 1.6275 1.9005 1.9005 2.1511 2.1511 2.8046 2.8046 7.2647 7.2647 8.3068 8.3068 8.5597 8.5597 8.8557 8.8557 9.1792 9.1792 10.3541 10.3541 10.6192 10.6192 11.1978 11.1978 11.7865 11.7865 11.9780 11.9780 12.6591 12.6591 13.2818 13.2818 13.7978 13.7978 16.0065 16.0065 16.9133 16.9133 17.2683 17.2683 17.5124 17.5124 k = 0.5282 0.1292-0.8217 ( 1721 PWs) bands (ev): 1.5631 1.5631 1.8351 1.8351 2.2068 2.2068 2.8870 2.8870 7.2631 7.2631 8.2688 8.2688 8.5410 8.5410 8.8514 8.8514 9.2161 9.2161 10.3395 10.3395 10.6398 10.6398 11.1841 11.1841 11.8021 11.8021 11.9794 11.9794 12.6560 12.6560 13.3136 13.3136 13.7918 13.7918 16.0105 16.0105 16.8688 16.8688 17.2680 17.2680 17.5343 17.5343 k = 0.5276 0.1290-0.8026 ( 1721 PWs) bands (ev): 1.4950 1.4950 1.7564 1.7564 2.2764 2.2764 2.9747 2.9747 7.2596 7.2596 8.2224 8.2224 8.5277 8.5277 8.8489 8.8489 9.2474 9.2474 10.3277 10.3277 10.6628 10.6628 11.1627 11.1627 11.8270 11.8270 11.9801 11.9801 12.6520 12.6520 13.3530 13.3530 13.7840 13.7840 16.0160 16.0160 16.8139 16.8139 17.2701 17.2701 17.5614 17.5614 k = 0.5269 0.1289-0.7835 ( 1721 PWs) bands (ev): 1.4247 1.4247 1.6734 1.6734 2.3507 2.3507 3.0662 3.0662 7.2540 7.2540 8.1705 8.1705 8.5188 8.5188 8.8477 8.8477 9.2719 9.2719 10.3203 10.3203 10.6874 10.6874 11.1331 11.1331 11.8577 11.8577 11.9833 11.9833 12.6476 12.6476 13.3985 13.3985 13.7752 13.7752 16.0229 16.0229 16.7516 16.7516 17.2744 17.2744 17.5907 17.5907 k = 0.5263 0.1287-0.7644 ( 1724 PWs) bands (ev): 1.3532 1.3532 1.5890 1.5890 2.4266 2.4266 3.1607 3.1607 7.2458 7.2458 8.1158 8.1158 8.5131 8.5131 8.8474 8.8474 9.2890 9.2890 10.3177 10.3177 10.7141 10.7141 11.0962 11.0962 11.8835 11.8835 11.9986 11.9986 12.6430 12.6430 13.4480 13.4480 13.7666 13.7666 16.0306 16.0306 16.6841 16.6841 17.2809 17.2809 17.6192 17.6192 k = 0.5256 0.1286-0.7453 ( 1727 PWs) bands (ev): 1.2809 1.2809 1.5044 1.5044 2.5030 2.5030 3.2575 3.2575 7.2349 7.2349 8.0607 8.0607 8.5094 8.5094 8.8477 8.8477 9.2986 9.2986 10.3192 10.3192 10.7434 10.7434 11.0532 11.0532 11.8911 11.8911 12.0375 12.0375 12.6389 12.6389 13.4981 13.4981 13.7609 13.7609 16.0384 16.0384 16.6139 16.6139 17.2894 17.2894 17.6427 17.6427 k = 0.5250 0.1284-0.7263 ( 1722 PWs) bands (ev): 1.2084 1.2084 1.4205 1.4205 2.5791 2.5791 3.3563 3.3563 7.2209 7.2209 8.0071 8.0071 8.5071 8.5071 8.8484 8.8484 9.3017 9.3017 10.3232 10.3232 10.7763 10.7763 11.0059 11.0059 11.8825 11.8825 12.0958 12.0958 12.6356 12.6356 13.5434 13.5434 13.7631 13.7631 16.0456 16.0456 16.5429 16.5429 17.2996 17.2996 17.6573 17.6573 k = 0.5244 0.1283-0.7072 ( 1719 PWs) bands (ev): 1.1359 1.1359 1.3375 1.3375 2.6544 2.6544 3.4567 3.4567 7.2037 7.2037 7.9564 7.9564 8.5053 8.5053 8.8495 8.8495 9.2993 9.2993 10.3276 10.3276 10.8130 10.8130 10.9564 10.9564 11.8651 11.8651 12.1636 12.1636 12.6339 12.6339 13.5755 13.5755 13.7813 13.7813 16.0504 16.0504 16.4736 16.4736 17.3112 17.3112 17.6607 17.6607 k = 0.5237 0.1281-0.6881 ( 1723 PWs) bands (ev): 1.0636 1.0636 1.2556 1.2556 2.7286 2.7286 3.5585 3.5585 7.1829 7.1829 7.9098 7.9098 8.5038 8.5038 8.8506 8.8506 9.2927 9.2927 10.3305 10.3305 10.8488 10.8488 10.9111 10.9111 11.8427 11.8427 12.2344 12.2344 12.6347 12.6347 13.5887 13.5887 13.8207 13.8207 16.0504 16.0504 16.4090 16.4090 17.3237 17.3237 17.6529 17.6529 k = 0.5231 0.1279-0.6690 ( 1721 PWs) bands (ev): 0.9917 0.9917 1.1752 1.1752 2.8015 2.8015 3.6613 3.6613 7.1587 7.1587 7.8679 7.8679 8.5022 8.5022 8.8520 8.8520 9.2833 9.2833 10.3303 10.3303 10.8362 10.8362 10.9189 10.9189 11.8172 11.8172 12.3031 12.3031 12.6400 12.6400 13.5870 13.5870 13.8775 13.8775 16.0420 16.0420 16.3535 16.3535 17.3367 17.3367 17.6365 17.6365 k = 0.5224 0.1278-0.6499 ( 1723 PWs) bands (ev): 0.9204 0.9204 1.0962 1.0962 2.8729 2.8729 3.7651 3.7651 7.1312 7.1312 7.8313 7.8313 8.5002 8.5002 8.8534 8.8534 9.2723 9.2723 10.3257 10.3257 10.7875 10.7875 10.9681 10.9681 11.7894 11.7894 12.3641 12.3641 12.6526 12.6526 13.5777 13.5777 13.9445 13.9445 16.0210 16.0210 16.3119 16.3119 17.3494 17.3494 17.6146 17.6146 k = 0.5218 0.1276-0.6309 ( 1727 PWs) bands (ev): 0.8497 0.8497 1.0189 1.0189 2.9426 2.9426 3.8696 3.8696 7.1009 7.1009 7.8000 7.8000 8.4975 8.4975 8.8550 8.8550 9.2607 9.2607 10.3159 10.3159 10.7368 10.7368 11.0247 11.0247 11.7604 11.7604 12.4121 12.4121 12.6756 12.6756 13.5654 13.5654 14.0172 14.0172 15.9854 15.9854 16.2867 16.2867 17.3607 17.3607 17.5906 17.5906 k = 0.5212 0.1275-0.6118 ( 1727 PWs) bands (ev): 0.7799 0.7799 0.9432 0.9432 3.0105 3.0105 3.9746 3.9746 7.0686 7.0686 7.7741 7.7741 8.4941 8.4941 8.8567 8.8567 9.2492 9.2492 10.3004 10.3004 10.6879 10.6879 11.0845 11.0845 11.7308 11.7308 12.4440 12.4440 12.7099 12.7099 13.5532 13.5532 14.0934 14.0934 15.9384 15.9384 16.2754 16.2754 17.3690 17.3690 17.5677 17.5677 k = 0.5205 0.1273-0.5927 ( 1733 PWs) bands (ev): 0.7110 0.7110 0.8694 0.8694 3.0762 3.0762 4.0798 4.0798 7.0350 7.0350 7.7530 7.7530 8.4897 8.4897 8.8586 8.8586 9.2384 9.2384 10.2790 10.2790 10.6421 10.6421 11.1454 11.1454 11.7015 11.7015 12.4613 12.4613 12.7515 12.7515 13.5428 13.5428 14.1717 14.1717 15.8853 15.8853 16.2732 16.2732 17.3722 17.3722 17.5493 17.5493 k = 0.5199 0.1272-0.5736 ( 1735 PWs) bands (ev): 0.6431 0.6431 0.7974 0.7974 3.1397 3.1397 4.1850 4.1850 7.0012 7.0012 7.7363 7.7363 8.4843 8.4843 8.8608 8.8608 9.2285 9.2285 10.2515 10.2515 10.6004 10.6004 11.2054 11.2054 11.6733 11.6733 12.4686 12.4686 12.7940 12.7940 13.5358 13.5358 14.2512 14.2512 15.8310 15.8310 16.2761 16.2761 17.3682 17.3682 17.5388 17.5388 k = 0.5192 0.1270-0.5546 ( 1735 PWs) bands (ev): 0.5762 0.5762 0.7274 0.7274 3.2008 3.2008 4.2900 4.2900 6.9683 6.9683 7.7236 7.7236 8.4779 8.4779 8.8633 8.8633 9.2198 9.2198 10.2185 10.2185 10.5631 10.5631 11.2622 11.2622 11.6478 11.6478 12.4696 12.4696 12.8319 12.8319 13.5331 13.5331 14.3315 14.3315 15.7790 15.7790 16.2815 16.2815 17.3568 17.3568 17.5368 17.5368 k = 0.5186 0.1269-0.5355 ( 1735 PWs) bands (ev): 0.5106 0.5106 0.6594 0.6594 3.2594 3.2594 4.3943 4.3943 6.9372 6.9372 7.7143 7.7143 8.4706 8.4706 8.8661 8.8661 9.2122 9.2122 10.1804 10.1804 10.5302 10.5302 11.3127 11.3127 11.6266 11.6266 12.4668 12.4668 12.8615 12.8615 13.5350 13.5350 14.4122 14.4122 15.7315 15.7315 16.2876 16.2876 17.3400 17.3400 17.5419 17.5419 k = 0.5180 0.1267-0.5164 ( 1737 PWs) bands (ev): 0.4463 0.4463 0.5934 0.5934 3.3154 3.3154 4.4976 4.4976 6.9089 6.9089 7.7080 7.7080 8.4624 8.4624 8.8693 8.8693 9.2057 9.2057 10.1384 10.1384 10.5014 10.5014 11.3530 11.3530 11.6128 11.6128 12.4615 12.4615 12.8811 12.8811 13.5412 13.5412 14.4931 14.4931 15.6900 15.6900 16.2939 16.2939 17.3211 17.3211 17.5514 17.5514 k = 0.5173 0.1265-0.4973 ( 1737 PWs) bands (ev): 0.3833 0.3833 0.5295 0.5295 3.3685 3.3685 4.5995 4.5995 6.8844 6.8844 7.7042 7.7042 8.4534 8.4534 8.8728 8.8728 9.1999 9.1999 10.0934 10.0934 10.4760 10.4760 11.3787 11.3787 11.6097 11.6097 12.4544 12.4544 12.8902 12.8902 13.5507 13.5507 14.5739 14.5739 15.6557 15.6557 16.2999 16.2999 17.3023 17.3023 17.5628 17.5628 k = 0.5167 0.1264-0.4782 ( 1733 PWs) bands (ev): 0.3217 0.3217 0.4678 0.4678 3.4187 3.4187 4.6996 4.6996 6.8645 6.8645 7.7027 7.7027 8.4439 8.4439 8.8768 8.8768 9.1948 9.1948 10.0465 10.0465 10.4535 10.4535 11.3878 11.3878 11.6186 11.6186 12.4461 12.4461 12.8893 12.8893 13.5627 13.5627 14.6547 14.6547 15.6289 15.6289 16.3056 16.3056 17.2855 17.2855 17.5749 17.5749 k = 0.5160 0.1262-0.4592 ( 1733 PWs) bands (ev): 0.2617 0.2617 0.4083 0.4083 3.4659 3.4659 4.7973 4.7973 6.8501 6.8501 7.7030 7.7030 8.4340 8.4340 8.8810 8.8810 9.1901 9.1901 9.9986 9.9986 10.4336 10.4336 11.3833 11.3833 11.6356 11.6356 12.4364 12.4364 12.8787 12.8787 13.5764 13.5764 14.7352 14.7352 15.6095 15.6095 16.3113 16.3113 17.2711 17.2711 17.5864 17.5864 k = 0.5154 0.1261-0.4401 ( 1731 PWs) bands (ev): 0.2032 0.2032 0.3509 0.3509 3.5099 3.5099 4.8922 4.8922 6.8419 6.8419 7.7050 7.7050 8.4238 8.4238 8.8854 8.8854 9.1854 9.1854 9.9503 9.9503 10.4159 10.4159 11.3705 11.3705 11.6548 11.6548 12.4257 12.4257 12.8589 12.8589 13.5916 13.5916 14.8153 14.8153 15.5971 15.5971 16.3175 16.3175 17.2599 17.2599 17.5965 17.5965 k = 0.5147 0.1259-0.4210 ( 1726 PWs) bands (ev): 0.1465 0.1465 0.2958 0.2958 3.5508 3.5508 4.9837 4.9837 6.8406 6.8406 7.7085 7.7085 8.4136 8.4136 8.8901 8.8901 9.1806 9.1806 9.9022 9.9022 10.4002 10.4002 11.3537 11.3537 11.6717 11.6717 12.4138 12.4138 12.8301 12.8301 13.6089 13.6089 14.8948 14.8948 15.5908 15.5908 16.3247 16.3247 17.2519 17.2519 17.6045 17.6045 k = 0.5141 0.1258-0.4019 ( 1724 PWs) bands (ev): 0.0916 0.0916 0.2428 0.2428 3.5883 3.5883 5.0711 5.0711 6.8469 6.8469 7.7132 7.7132 8.4035 8.4035 8.8950 8.8950 9.1753 9.1753 9.8548 9.8548 10.3865 10.3865 11.3353 11.3353 11.6839 11.6839 12.4006 12.4006 12.7925 12.7925 13.6289 13.6289 14.9736 14.9736 15.5895 15.5895 16.3333 16.3333 17.2471 17.2471 17.6098 17.6098 k = 0.5135 0.1256-0.3828 ( 1723 PWs) bands (ev): 0.0385 0.0385 0.1922 0.1922 3.6227 3.6227 5.1540 5.1540 6.8612 6.8612 7.7191 7.7191 8.3936 8.3936 8.8999 8.8999 9.1693 9.1693 9.8084 9.8084 10.3747 10.3747 11.3167 11.3167 11.6900 11.6900 12.3859 12.3859 12.7462 12.7462 13.6523 13.6523 15.0514 15.0514 15.5922 15.5922 16.3437 16.3437 17.2453 17.2453 17.6120 17.6120 k = 0.5128 0.1254-0.3638 ( 1719 PWs) bands (ev): -0.0127 -0.0127 0.1438 0.1438 3.6537 3.6537 5.2319 5.2319 6.8838 6.8838 7.7261 7.7261 8.3842 8.3842 8.9049 8.9049 9.1625 9.1625 9.7632 9.7632 10.3650 10.3650 11.2986 11.2986 11.6899 11.6899 12.3693 12.3693 12.6921 12.6921 13.6792 13.6792 15.1280 15.1280 15.5982 15.5982 16.3560 16.3560 17.2462 17.2462 17.6106 17.6106 k = 0.5122 0.1253-0.3447 ( 1721 PWs) bands (ev): -0.0618 -0.0618 0.0976 0.0976 3.6815 3.6815 5.3044 5.3044 6.9149 6.9149 7.7339 7.7339 8.3752 8.3752 8.9098 8.9098 9.1546 9.1546 9.7192 9.7192 10.3572 10.3572 11.2814 11.2814 11.6838 11.6838 12.3501 12.3501 12.6314 12.6314 13.7098 13.7098 15.2028 15.2028 15.6069 15.6069 16.3701 16.3701 17.2496 17.2496 17.6053 17.6053 k = 0.5115 0.1251-0.3256 ( 1725 PWs) bands (ev): -0.1088 -0.1088 0.0537 0.0537 3.7062 3.7062 5.3712 5.3712 6.9544 6.9544 7.7424 7.7424 8.3669 8.3669 8.9147 8.9147 9.1455 9.1455 9.6768 9.6768 10.3514 10.3514 11.2655 11.2655 11.6720 11.6720 12.3268 12.3268 12.5666 12.5666 13.7434 13.7434 15.2754 15.2754 15.6184 15.6184 16.3853 16.3853 17.2552 17.2552 17.5959 17.5959 k = 0.5109 0.1250-0.3065 ( 1723 PWs) bands (ev): -0.1537 -0.1537 0.0122 0.0122 3.7279 3.7279 5.4325 5.4325 7.0019 7.0019 7.7517 7.7517 8.3595 8.3595 8.9195 8.9195 9.1354 9.1354 9.6359 9.6359 10.3479 10.3479 11.2510 11.2510 11.6552 11.6552 12.2966 12.2966 12.5017 12.5017 13.7792 13.7792 15.3451 15.3451 15.6335 15.6335 16.4011 16.4011 17.2628 17.2628 17.5823 17.5823 k = 0.5103 0.1248-0.2875 ( 1723 PWs) bands (ev): -0.1963 -0.1963 -0.0271 -0.0271 3.7467 3.7467 5.4882 5.4882 7.0567 7.0567 7.7615 7.7615 8.3530 8.3530 8.9242 8.9242 9.1241 9.1241 9.5965 9.5965 10.3464 10.3464 11.2379 11.2379 11.6340 11.6340 12.2546 12.2546 12.4429 12.4429 13.8162 13.8162 15.4108 15.4108 15.6532 15.6532 16.4166 16.4166 17.2720 17.2720 17.5645 17.5645 k = 0.5096 0.1247-0.2684 ( 1724 PWs) bands (ev): -0.2366 -0.2366 -0.0641 -0.0641 3.7628 3.7628 5.5386 5.5386 7.1178 7.1178 7.7719 7.7719 8.3475 8.3475 8.9287 8.9287 9.1119 9.1119 9.5586 9.5586 10.3471 10.3471 11.2263 11.2263 11.6092 11.6092 12.1962 12.1962 12.3961 12.3961 13.8532 13.8532 15.4711 15.4711 15.6793 15.6793 16.4308 16.4308 17.2825 17.2825 17.5426 17.5426 k = 0.5090 0.1245-0.2493 ( 1724 PWs) bands (ev): -0.2746 -0.2746 -0.0987 -0.0987 3.7765 3.7765 5.5840 5.5840 7.1844 7.1844 7.7826 7.7826 8.3434 8.3434 8.9331 8.9331 9.0989 9.0989 9.5223 9.5223 10.3497 10.3497 11.2161 11.2161 11.5814 11.5814 12.1226 12.1226 12.3617 12.3617 13.8894 13.8894 15.5247 15.5247 15.7135 15.7135 16.4431 16.4431 17.2941 17.2941 17.5172 17.5172 k = 0.5083 0.1243-0.2302 ( 1724 PWs) bands (ev): -0.3102 -0.3102 -0.1310 -0.1310 3.7878 3.7878 5.6248 5.6248 7.2550 7.2550 7.7936 7.7936 8.3408 8.3408 8.9370 8.9370 9.0855 9.0855 9.4873 9.4873 10.3543 10.3543 11.2073 11.2073 11.5512 11.5512 12.0390 12.0390 12.3358 12.3358 13.9239 13.9239 15.5711 15.5711 15.7562 15.7562 16.4526 16.4526 17.3062 17.3062 17.4886 17.4886 k = 0.5077 0.1242-0.2111 ( 1719 PWs) bands (ev): -0.3433 -0.3433 -0.1609 -0.1609 3.7972 3.7972 5.6615 5.6615 7.3283 7.3283 7.8048 7.8048 8.3399 8.3399 8.9404 8.9404 9.0722 9.0722 9.4536 9.4536 10.3607 10.3607 11.1999 11.1999 11.5191 11.5191 11.9504 11.9504 12.3151 12.3151 13.9560 13.9560 15.6121 15.6121 15.8061 15.8061 16.4588 16.4588 17.3182 17.3182 17.4577 17.4577 k = 0.5071 0.1240-0.1921 ( 1717 PWs) bands (ev): -0.3739 -0.3739 -0.1885 -0.1885 3.8047 3.8047 5.6944 5.6944 7.4025 7.4025 7.8160 7.8160 8.3412 8.3412 8.9426 8.9426 9.0596 9.0596 9.4211 9.4211 10.3686 10.3686 11.1936 11.1936 11.4856 11.4856 11.8600 11.8600 12.2974 12.2974 13.9850 13.9850 15.6498 15.6498 15.8606 15.8606 16.4615 16.4615 17.3283 17.3283 17.4264 17.4264 k = 0.5064 0.1239-0.1730 ( 1719 PWs) bands (ev): -0.4020 -0.4020 -0.2138 -0.2138 3.8106 3.8106 5.7237 5.7237 7.4762 7.4762 7.8271 7.8271 8.3448 8.3448 8.9432 8.9432 9.0487 9.0487 9.3897 9.3897 10.3778 10.3778 11.1882 11.1882 11.4512 11.4512 11.7706 11.7706 12.2819 12.2819 14.0108 14.0108 15.6864 15.6864 15.9173 15.9173 16.4603 16.4603 17.3314 17.3314 17.3999 17.3999 k = 0.5058 0.1237-0.1539 ( 1719 PWs) bands (ev): -0.4276 -0.4276 -0.2366 -0.2366 3.8152 3.8152 5.7499 5.7499 7.5476 7.5476 7.8380 7.8380 8.3514 8.3514 8.9411 8.9411 9.0407 9.0407 9.3594 9.3594 10.3881 10.3881 11.1837 11.1837 11.4160 11.4160 11.6844 11.6844 12.2681 12.2681 14.0334 14.0334 15.7231 15.7231 15.9744 15.9744 16.4554 16.4554 17.3166 17.3166 17.3896 17.3896 k = 0.5051 0.1236-0.1348 ( 1721 PWs) bands (ev): -0.4505 -0.4505 -0.2571 -0.2571 3.8187 3.8187 5.7730 5.7730 7.6148 7.6148 7.8483 7.8483 8.3613 8.3613 8.9357 8.9357 9.0366 9.0366 9.3300 9.3300 10.3992 10.3992 11.1798 11.1798 11.3801 11.3801 11.6036 11.6036 12.2559 12.2559 14.0527 14.0527 15.7604 15.7604 16.0306 16.0306 16.4469 16.4469 17.2855 17.2855 17.3940 17.3940 k = 0.5045 0.1234-0.1157 ( 1721 PWs) bands (ev): -0.4708 -0.4708 -0.2752 -0.2752 3.8213 3.8213 5.7933 5.7933 7.6763 7.6763 7.8582 7.8582 8.3747 8.3747 8.9268 8.9268 9.0369 9.0369 9.3014 9.3014 10.4105 10.4105 11.1763 11.1763 11.3432 11.3432 11.5307 11.5307 12.2450 12.2450 14.0689 14.0689 15.7981 15.7981 16.0847 16.0847 16.4353 16.4353 17.2488 17.2488 17.4031 17.4031 k = 0.5038 0.1232-0.0967 ( 1721 PWs) bands (ev): -0.4885 -0.4885 -0.2909 -0.2909 3.8231 3.8231 5.8108 5.8108 7.7306 7.7306 7.8672 7.8672 8.3916 8.3916 8.9153 8.9153 9.0411 9.0411 9.2737 9.2737 10.4218 10.4218 11.1726 11.1726 11.3055 11.3055 11.4681 11.4681 12.2355 12.2355 14.0821 14.0821 15.8357 15.8357 16.1357 16.1357 16.4210 16.4210 17.2112 17.2112 17.4129 17.4129 k = 0.5032 0.1231-0.0776 ( 1723 PWs) bands (ev): -0.5034 -0.5034 -0.3042 -0.3042 3.8244 3.8244 5.8255 5.8255 7.7766 7.7766 7.8752 7.8752 8.4116 8.4116 8.9023 8.9023 9.0487 9.0487 9.2469 9.2469 10.4326 10.4326 11.1680 11.1680 11.2682 11.2682 11.4174 11.4174 12.2274 12.2274 14.0927 14.0927 15.8722 15.8722 16.1824 16.1824 16.4051 16.4051 17.1747 17.1747 17.4220 17.4220 k = 0.5026 0.1229-0.0585 ( 1722 PWs) bands (ev): -0.5157 -0.5157 -0.3151 -0.3151 3.8252 3.8252 5.8375 5.8375 7.8138 7.8138 7.8818 7.8818 8.4332 8.4332 8.8888 8.8888 9.0590 9.0590 9.2211 9.2211 10.4423 10.4423 11.1604 11.1604 11.2352 11.2352 11.3786 11.3786 12.2206 12.2206 14.1009 14.1009 15.9065 15.9065 16.2234 16.2234 16.3886 16.3886 17.1411 17.1411 17.4300 17.4300 k = 0.5019 0.1228-0.0394 ( 1720 PWs) bands (ev): -0.5253 -0.5253 -0.3235 -0.3235 3.8257 3.8257 5.8470 5.8470 7.8424 7.8424 7.8867 7.8867 8.4545 8.4545 8.8762 8.8762 9.0716 9.0716 9.1964 9.1964 10.4506 10.4506 11.1477 11.1477 11.2121 11.2121 11.3504 11.3504 12.2153 12.2153 14.1070 14.1070 15.9370 15.9370 16.2566 16.2566 16.3736 16.3736 17.1121 17.1121 17.4365 17.4365 k = 0.5013 0.1226-0.0203 ( 1722 PWs) bands (ev): -0.5321 -0.5321 -0.3296 -0.3296 3.8260 3.8260 5.8537 5.8537 7.8631 7.8631 7.8894 7.8894 8.4728 8.4728 8.8655 8.8655 9.0859 9.0859 9.1733 9.1733 10.4569 10.4569 11.1315 11.1315 11.2002 11.2002 11.3312 11.3312 12.2115 12.2115 14.1112 14.1112 15.9614 15.9614 16.2799 16.2799 16.3625 16.3625 17.0896 17.0896 17.4412 17.4412 k = 0.5006 0.1225-0.0013 ( 1717 PWs) bands (ev): -0.5362 -0.5362 -0.3332 -0.3332 3.8262 3.8262 5.8577 5.8577 7.8770 7.8770 7.8896 7.8896 8.4853 8.4853 8.8583 8.8583 9.1009 9.1009 9.1531 9.1531 10.4609 10.4609 11.1188 11.1188 11.1953 11.1953 11.3201 11.3201 12.2093 12.2093 14.1137 14.1137 15.9775 15.9775 16.2921 16.2921 16.3572 16.3572 17.0752 17.0752 17.4441 17.4441 k = 0.5000 0.1223 0.0178 ( 1718 PWs) bands (ev): -0.5376 -0.5376 -0.3344 -0.3344 3.8263 3.8263 5.8590 5.8590 7.8835 7.8835 7.8876 7.8876 8.4898 8.4898 8.8557 8.8557 9.1098 9.1098 9.1424 9.1424 10.4622 10.4622 11.1141 11.1141 11.1940 11.1940 11.3164 11.3164 12.2085 12.2085 14.1145 14.1145 15.9831 15.9831 16.2953 16.2953 16.3561 16.3561 17.0702 17.0702 17.4450 17.4450 k = 0.5000 0.1223 0.0178 ( 1718 PWs) bands (ev): -0.5376 -0.5376 -0.3344 -0.3344 3.8263 3.8263 5.8590 5.8590 7.8835 7.8835 7.8876 7.8876 8.4898 8.4898 8.8557 8.8557 9.1098 9.1098 9.1424 9.1424 10.4622 10.4622 11.1141 11.1141 11.1940 11.1940 11.3164 11.3164 12.2085 12.2085 14.1145 14.1145 15.9831 15.9831 16.2953 16.2953 16.3561 16.3561 17.0702 17.0702 17.4450 17.4450 k = 0.5046 0.1037 0.0178 ( 1716 PWs) bands (ev): -0.5363 -0.5363 -0.3333 -0.3333 3.8269 3.8269 5.8604 5.8604 7.8809 7.8809 7.8898 7.8898 8.4859 8.4859 8.8371 8.8371 9.0697 9.0697 9.2024 9.2024 10.4642 10.4642 11.1127 11.1127 11.1890 11.1890 11.3229 11.3229 12.2060 12.2060 14.1137 14.1137 15.9804 15.9804 16.2986 16.2986 16.3531 16.3531 17.0687 17.0687 17.4474 17.4474 k = 0.5091 0.0851 0.0178 ( 1716 PWs) bands (ev): -0.5323 -0.5323 -0.3300 -0.3300 3.8286 3.8286 5.8643 5.8643 7.8745 7.8745 7.8945 7.8945 8.4743 8.4743 8.7868 8.7868 9.0397 9.0397 9.2862 9.2862 10.4701 10.4701 11.1075 11.1075 11.1784 11.1784 11.3394 11.3394 12.1984 12.1984 14.1114 14.1114 15.9723 15.9723 16.3082 16.3082 16.3446 16.3446 17.0642 17.0642 17.4540 17.4540 k = 0.5137 0.0665 0.0178 ( 1718 PWs) bands (ev): -0.5257 -0.5257 -0.3245 -0.3245 3.8316 3.8316 5.8709 5.8709 7.8641 7.8641 7.9014 7.9014 8.4547 8.4547 8.7196 8.7196 9.0254 9.0254 9.3749 9.3749 10.4795 10.4795 11.0958 11.0958 11.1696 11.1696 11.3613 11.3613 12.1858 12.1858 14.1075 14.1075 15.9591 15.9591 16.3219 16.3219 16.3324 16.3324 17.0575 17.0575 17.4643 17.4643 k = 0.5182 0.0479 0.0178 ( 1716 PWs) bands (ev): -0.5165 -0.5165 -0.3168 -0.3168 3.8356 3.8356 5.8800 5.8800 7.8488 7.8488 7.9106 7.9106 8.4268 8.4268 8.6480 8.6480 9.0192 9.0192 9.4643 9.4643 10.4921 10.4921 11.0765 11.0765 11.1671 11.1671 11.3860 11.3860 12.1686 12.1686 14.1020 14.1020 15.9412 15.9412 16.3091 16.3091 16.3469 16.3469 17.0496 17.0496 17.4772 17.4772 k = 0.5228 0.0292 0.0178 ( 1718 PWs) bands (ev): -0.5046 -0.5046 -0.3069 -0.3069 3.8408 3.8408 5.8917 5.8917 7.8271 7.8271 7.9217 7.9217 8.3910 8.3910 8.5793 8.5793 9.0176 9.0176 9.5519 9.5519 10.5072 10.5072 11.0517 11.0517 11.1706 11.1706 11.4122 11.4122 12.1467 12.1467 14.0947 14.0947 15.9191 15.9191 16.2844 16.2844 16.3732 16.3732 17.0414 17.0414 17.4916 17.4916 k = 0.5273 0.0106 0.0178 ( 1718 PWs) bands (ev): -0.4902 -0.4902 -0.2948 -0.2948 3.8471 3.8471 5.9060 5.9060 7.7977 7.7977 7.9344 7.9344 8.3493 8.3493 8.5163 8.5163 9.0192 9.0192 9.6360 9.6360 10.5242 10.5242 11.0239 11.0239 11.1791 11.1791 11.4395 11.4395 12.1205 12.1205 14.0855 14.0855 15.8930 15.8930 16.2547 16.2547 16.4045 16.4045 17.0340 17.0340 17.5066 17.5066 k = 0.5319-0.0080 0.0178 ( 1714 PWs) bands (ev): -0.4732 -0.4732 -0.2806 -0.2806 3.8544 3.8544 5.9227 5.9227 7.7591 7.7591 7.9478 7.9478 8.3057 8.3057 8.4592 8.4592 9.0237 9.0237 9.7151 9.7151 10.5423 10.5423 10.9949 10.9949 11.1918 11.1918 11.4679 11.4679 12.0904 12.0904 14.0746 14.0746 15.8631 15.8631 16.2206 16.2206 16.4400 16.4400 17.0282 17.0282 17.5214 17.5214 k = 0.5364-0.0266 0.0178 ( 1712 PWs) bands (ev): -0.4536 -0.4536 -0.2642 -0.2642 3.8627 3.8627 5.9418 5.9418 7.7102 7.7102 7.9604 7.9604 8.2651 8.2651 8.4064 8.4064 9.0307 9.0307 9.7878 9.7878 10.5607 10.5607 10.9658 10.9658 11.2088 11.2088 11.4976 11.4976 12.0568 12.0568 14.0616 14.0616 15.8297 15.8297 16.1825 16.1825 16.4794 16.4794 17.0243 17.0243 17.5352 17.5352 k = 0.5410-0.0452 0.0178 ( 1708 PWs) bands (ev): -0.4315 -0.4315 -0.2457 -0.2457 3.8719 3.8719 5.9633 5.9633 7.6512 7.6512 7.9701 7.9701 8.2316 8.2316 8.3571 8.3571 9.0404 9.0404 9.8527 9.8527 10.5788 10.5788 10.9372 10.9372 11.2300 11.2300 11.5291 11.5291 12.0202 12.0202 14.0465 14.0465 15.7929 15.7929 16.1410 16.1410 16.5223 16.5223 17.0229 17.0229 17.5475 17.5475 k = 0.5455-0.0638 0.0178 ( 1706 PWs) bands (ev): -0.4069 -0.4069 -0.2251 -0.2251 3.8819 3.8819 5.9871 5.9871 7.5828 7.5828 7.9736 7.9736 8.2071 8.2071 8.3123 8.3123 9.0525 9.0525 9.9090 9.9090 10.5958 10.5958 10.9096 10.9096 11.2549 11.2549 11.5629 11.5629 11.9815 11.9815 14.0294 14.0294 15.7531 15.7531 16.0965 16.0965 16.5683 16.5683 17.0243 17.0243 17.5582 17.5582 k = 0.5501-0.0824 0.0178 ( 1708 PWs) bands (ev): -0.3799 -0.3799 -0.2023 -0.2023 3.8928 3.8928 6.0131 6.0131 7.5070 7.5070 7.9674 7.9674 8.1896 8.1896 8.2763 8.2763 9.0671 9.0671 9.9557 9.9557 10.6111 10.6111 10.8834 10.8834 11.2829 11.2829 11.5998 11.5998 11.9413 11.9413 14.0101 14.0101 15.7106 15.7106 16.0496 16.0496 16.6169 16.6169 17.0284 17.0284 17.5669 17.5669 k = 0.5546-0.1010 0.0178 ( 1708 PWs) bands (ev): -0.3505 -0.3505 -0.1775 -0.1775 3.9043 3.9043 6.0410 6.0410 7.4256 7.4256 7.9495 7.9495 8.1701 8.1701 8.2589 8.2589 9.0843 9.0843 9.9928 9.9928 10.6241 10.6241 10.8589 10.8589 11.3128 11.3128 11.6401 11.6401 11.9014 11.9014 13.9887 13.9887 15.6657 15.6657 16.0006 16.0006 16.6678 16.6678 17.0355 17.0355 17.5736 17.5736 k = 0.5592-0.1196 0.0178 ( 1710 PWs) bands (ev): -0.3187 -0.3187 -0.1507 -0.1507 3.9164 3.9164 6.0709 6.0709 7.3406 7.3406 7.9199 7.9199 8.1428 8.1428 8.2642 8.2642 9.1038 9.1038 10.0202 10.0202 10.6344 10.6344 10.8365 10.8365 11.3426 11.3426 11.6834 11.6834 11.8645 11.8645 13.9653 13.9653 15.6186 15.6186 15.9502 15.9502 16.7204 16.7204 17.0452 17.0452 17.5782 17.5782 k = 0.5637-0.1382 0.0178 ( 1708 PWs) bands (ev): -0.2845 -0.2845 -0.1218 -0.1218 3.9290 3.9290 6.1024 6.1024 7.2534 7.2534 7.8805 7.8805 8.1127 8.1127 8.2846 8.2846 9.1258 9.1258 10.0385 10.0385 10.6412 10.6412 10.8162 10.8162 11.3702 11.3702 11.7229 11.7229 11.8396 11.8396 13.9400 13.9400 15.5699 15.5699 15.8987 15.8987 16.7742 16.7742 17.0575 17.0575 17.5810 17.5810 k = 0.5683-0.1569 0.0178 ( 1712 PWs) bands (ev): -0.2481 -0.2481 -0.0910 -0.0910 3.9419 3.9419 6.1354 6.1354 7.1653 7.1653 7.8334 7.8334 8.0831 8.0831 8.3134 8.3134 9.1501 9.1501 10.0487 10.0487 10.6439 10.6439 10.7982 10.7982 11.3931 11.3931 11.7357 11.7357 11.8519 11.8519 13.9128 13.9128 15.5198 15.5198 15.8464 15.8464 16.8287 16.8287 17.0719 17.0719 17.5821 17.5821 k = 0.5728-0.1755 0.0178 ( 1708 PWs) bands (ev): -0.2094 -0.2094 -0.0581 -0.0581 3.9551 3.9551 6.1694 6.1694 7.0775 7.0775 7.7809 7.7809 8.0545 8.0545 8.3473 8.3473 9.1769 9.1769 10.0518 10.0518 10.6422 10.6422 10.7821 10.7821 11.4091 11.4091 11.7209 11.7209 11.9049 11.9049 13.8840 13.8840 15.4690 15.4690 15.7940 15.7940 16.8833 16.8833 17.0883 17.0883 17.5817 17.5817 k = 0.5774-0.1941 0.0178 ( 1710 PWs) bands (ev): -0.1686 -0.1686 -0.0234 -0.0234 3.9684 3.9684 6.2039 6.2039 6.9910 6.9910 7.7250 7.7250 8.0262 8.0262 8.3844 8.3844 9.2059 9.2059 10.0490 10.0490 10.6359 10.6359 10.7675 10.7675 11.4159 11.4159 11.7037 11.7037 11.9752 11.9752 13.8537 13.8537 15.4176 15.4176 15.7418 15.7418 16.9371 16.9371 17.1060 17.1060 17.5801 17.5801 k = 0.5819-0.2127 0.0178 ( 1710 PWs) bands (ev): -0.1257 -0.1257 0.0132 0.0132 3.9816 3.9816 6.2382 6.2382 6.9067 6.9067 7.6671 7.6671 7.9974 7.9974 8.4235 8.4235 9.2371 9.2371 10.0414 10.0414 10.6256 10.6256 10.7530 10.7530 11.4128 11.4128 11.6940 11.6940 12.0540 12.0540 13.8220 13.8220 15.3664 15.3664 15.6901 15.6901 16.9894 16.9894 17.1246 17.1246 17.5777 17.5777 k = 0.5865-0.2313 0.0178 ( 1710 PWs) bands (ev): -0.0807 -0.0807 0.0517 0.0517 3.9945 3.9945 6.2710 6.2710 6.8263 6.8263 7.6086 7.6086 7.9676 7.9676 8.4637 8.4637 9.2705 9.2705 10.0300 10.0300 10.6123 10.6123 10.7375 10.7375 11.4011 11.4011 11.6933 11.6933 12.1382 12.1382 13.7892 13.7892 15.3155 15.3155 15.6392 15.6392 17.0391 17.0391 17.1439 17.1439 17.5750 17.5750 k = 0.5910-0.2499 0.0178 ( 1710 PWs) bands (ev): -0.0338 -0.0338 0.0921 0.0921 4.0070 4.0070 6.2999 6.2999 6.7522 6.7522 7.5502 7.5502 7.9363 7.9363 8.5045 8.5045 9.3059 9.3059 10.0153 10.0153 10.5970 10.5970 10.7197 10.7197 11.3839 11.3839 11.7002 11.7002 12.2262 12.2262 13.7555 13.7555 15.2655 15.2655 15.5896 15.5896 17.0843 17.0843 17.1638 17.1638 17.5725 17.5725 k = 0.5956-0.2685 0.0178 ( 1714 PWs) bands (ev): 0.0150 0.0150 0.1342 0.1342 4.0190 4.0190 6.3205 6.3205 6.6886 6.6886 7.4928 7.4928 7.9032 7.9032 8.5451 8.5451 9.3429 9.3429 9.9979 9.9979 10.5802 10.5802 10.6992 10.6992 11.3646 11.3646 11.7126 11.7126 12.3168 12.3168 13.7211 13.7211 15.2167 15.2167 15.5413 15.5413 17.1223 17.1223 17.1857 17.1857 17.5707 17.5707 k = 0.6001-0.2871 0.0178 ( 1710 PWs) bands (ev): 0.0657 0.0657 0.1780 0.1780 4.0301 4.0301 6.3258 6.3258 6.6425 6.6425 7.4370 7.4370 7.8683 7.8683 8.5851 8.5851 9.3813 9.3813 9.9780 9.9780 10.5624 10.5624 10.6764 10.6764 11.3461 11.3461 11.7285 11.7285 12.4089 12.4089 13.6863 13.6863 15.1695 15.1695 15.4948 15.4948 17.1489 17.1489 17.2117 17.2117 17.5702 17.5702 k = 0.6047-0.3057 0.0178 ( 1706 PWs) bands (ev): 0.1181 0.1181 0.2236 0.2236 4.0403 4.0403 6.3083 6.3083 6.6212 6.6212 7.3835 7.3835 7.8318 7.8318 8.6238 8.6238 9.4204 9.4204 9.9556 9.9556 10.5434 10.5434 10.6527 10.6527 11.3298 11.3298 11.7467 11.7467 12.5017 12.5017 13.6512 13.6512 15.1244 15.1244 15.4502 15.4502 17.1632 17.1632 17.2414 17.2414 17.5712 17.5712 k = 0.6093-0.3244 0.0178 ( 1704 PWs) bands (ev): 0.1722 0.1722 0.2708 0.2708 4.0492 4.0492 6.2684 6.2684 6.6237 6.6237 7.3328 7.3328 7.7938 7.7938 8.6610 8.6610 9.4595 9.4595 9.9306 9.9306 10.5221 10.5221 10.6306 10.6306 11.3165 11.3165 11.7664 11.7664 12.5945 12.5945 13.6161 13.6161 15.0815 15.0815 15.4077 15.4077 17.1674 17.1674 17.2710 17.2710 17.5736 17.5736 k = 0.6138-0.3430 0.0178 ( 1708 PWs) bands (ev): 0.2278 0.2278 0.3196 0.3196 4.0567 4.0567 6.2140 6.2140 6.6413 6.6413 7.2855 7.2855 7.7549 7.7549 8.6958 8.6958 9.4975 9.4975 9.9031 9.9031 10.4977 10.4977 10.6131 10.6131 11.3066 11.3066 11.7872 11.7872 12.6866 12.6866 13.5812 13.5812 15.0411 15.0411 15.3673 15.3673 17.1634 17.1634 17.2980 17.2980 17.5764 17.5764 k = 0.6184-0.3616 0.0178 ( 1708 PWs) bands (ev): 0.2849 0.2849 0.3700 0.3700 4.0626 4.0626 6.1527 6.1527 6.6658 6.6658 7.2421 7.2421 7.7159 7.7159 8.7279 8.7279 9.5331 9.5331 9.8729 9.8729 10.4704 10.4704 10.6023 10.6023 11.3002 11.3002 11.8091 11.8091 12.7774 12.7774 13.5469 13.5469 15.0037 15.0037 15.3293 15.3293 17.1521 17.1521 17.3217 17.3217 17.5784 17.5784 k = 0.6229-0.3802 0.0178 ( 1704 PWs) bands (ev): 0.3434 0.3434 0.4220 0.4220 4.0666 4.0666 6.0889 6.0889 6.6917 6.6917 7.2032 7.2032 7.6778 7.6778 8.7570 8.7570 9.5649 9.5649 9.8402 9.8402 10.4420 10.4420 10.5984 10.5984 11.2973 11.2973 11.8317 11.8317 12.8666 12.8666 13.5134 13.5134 14.9692 14.9692 15.2937 15.2937 17.1339 17.1339 17.3416 17.3416 17.5781 17.5781 k = 0.6275-0.3988 0.0178 ( 1702 PWs) bands (ev): 0.4032 0.4032 0.4754 0.4754 4.0686 4.0686 6.0249 6.0249 6.7153 6.7153 7.1691 7.1691 7.6421 7.6421 8.7825 8.7825 9.5909 9.5909 9.8049 9.8049 10.4152 10.4152 10.6010 10.6010 11.2978 11.2978 11.8550 11.8550 12.9533 12.9533 13.4813 13.4813 14.9379 14.9379 15.2605 15.2605 17.1095 17.1095 17.3576 17.3576 17.5736 17.5736 k = 0.6320-0.4174 0.0178 ( 1700 PWs) bands (ev): 0.4642 0.4642 0.5302 0.5302 4.0683 4.0683 5.9618 5.9618 6.7341 6.7341 7.1396 7.1396 7.6107 7.6107 8.8039 8.8039 9.6096 9.6096 9.7674 9.7674 10.3924 10.3924 10.6092 10.6092 11.3019 11.3019 11.8792 11.8792 13.0372 13.0372 13.4509 13.4509 14.9098 14.9098 15.2297 15.2297 17.0794 17.0794 17.3697 17.3697 17.5641 17.5641 k = 0.6366-0.4360 0.0178 ( 1700 PWs) bands (ev): 0.5262 0.5262 0.5865 0.5865 4.0656 4.0656 5.9005 5.9005 6.7461 6.7461 7.1141 7.1141 7.5858 7.5858 8.8205 8.8205 9.6194 9.6194 9.7280 9.7280 10.3757 10.3757 10.6223 10.6223 11.3098 11.3098 11.9043 11.9043 13.1170 13.1170 13.4233 13.4233 14.8850 14.8850 15.2014 15.2014 17.0442 17.0442 17.3773 17.3773 17.5491 17.5491 k = 0.6411-0.4546 0.0178 ( 1708 PWs) bands (ev): 0.5891 0.5891 0.6440 0.6440 4.0603 4.0603 5.8411 5.8411 6.7501 6.7501 7.0911 7.0911 7.5699 7.5699 8.8315 8.8315 9.6196 9.6196 9.6877 9.6877 10.3657 10.3657 10.6395 10.6395 11.3218 11.3218 11.9303 11.9303 13.1908 13.1908 13.4004 13.4004 14.8634 14.8634 15.1755 15.1755 17.0044 17.0044 17.3800 17.3800 17.5291 17.5291 k = 0.6457-0.4732 0.0178 ( 1704 PWs) bands (ev): 0.6529 0.6529 0.7029 0.7029 4.0523 4.0523 5.7843 5.7843 6.7460 6.7460 7.0691 7.0691 7.5650 7.5650 8.8364 8.8364 9.6087 9.6087 9.6492 9.6492 10.3622 10.3622 10.6599 10.6599 11.3386 11.3386 11.9576 11.9576 13.2530 13.2530 13.3883 13.3883 14.8448 14.8448 15.1520 15.1520 16.9603 16.9603 17.3767 17.3767 17.5059 17.5059 k = 0.6502-0.4918 0.0178 ( 1708 PWs) bands (ev): 0.7173 0.7173 0.7630 0.7630 4.0414 4.0414 5.7301 5.7301 6.7338 6.7338 7.0470 7.0470 7.5719 7.5719 8.8345 8.8345 9.5812 9.5812 9.6197 9.6197 10.3638 10.3638 10.6825 10.6825 11.3606 11.3606 11.9860 11.9860 13.2871 13.2871 13.4032 13.4032 14.8291 14.8291 15.1309 15.1309 16.9122 16.9122 17.3658 17.3658 17.4820 17.4820 k = 0.6548-0.5105 0.0178 ( 1708 PWs) bands (ev): 0.7822 0.7822 0.8243 0.8243 4.0278 4.0278 5.6786 5.6786 6.7138 6.7138 7.0251 7.0251 7.5904 7.5904 8.8250 8.8250 9.5398 9.5398 9.5996 9.5996 10.3688 10.3688 10.7061 10.7061 11.3883 11.3883 12.0160 12.0160 13.2892 13.2892 13.4491 13.4491 14.8160 14.8160 15.1122 15.1122 16.8603 16.8603 17.3459 17.3459 17.4601 17.4601 k = 0.6593-0.5291 0.0178 ( 1708 PWs) bands (ev): 0.8476 0.8476 0.8866 0.8866 4.0112 4.0112 5.6299 5.6299 6.6860 6.6860 7.0052 7.0052 7.6188 7.6188 8.8078 8.8078 9.4931 9.4931 9.5826 9.5826 10.3753 10.3753 10.7294 10.7294 11.4220 11.4220 12.0476 12.0476 13.2806 13.2806 13.5051 13.5051 14.8050 14.8050 15.0960 15.0960 16.8048 16.8048 17.3171 17.3171 17.4413 17.4413 k = 0.6639-0.5477 0.0178 ( 1708 PWs) bands (ev): 0.9134 0.9134 0.9500 0.9500 3.9918 3.9918 5.5840 5.5840 6.6503 6.6503 6.9890 6.9890 7.6553 7.6553 8.7827 8.7827 9.4439 9.4439 9.5678 9.5678 10.3818 10.3818 10.7512 10.7512 11.4619 11.4619 12.0810 12.0810 13.2715 13.2715 13.5610 13.5610 14.7957 14.7957 15.0822 15.0822 16.7459 16.7459 17.2817 17.2817 17.4246 17.4246 k = 0.6684-0.5663 0.0178 ( 1710 PWs) bands (ev): 0.9793 0.9793 1.0143 1.0143 3.9695 3.9695 5.5410 5.5410 6.6070 6.6070 6.9781 6.9781 7.6981 7.6981 8.7500 8.7500 9.3934 9.3934 9.5558 9.5558 10.3873 10.3873 10.7705 10.7705 11.5078 11.5078 12.1162 12.1162 13.2651 13.2651 13.6137 13.6137 14.7876 14.7876 15.0710 15.0710 16.6833 16.6833 17.2426 17.2426 17.4086 17.4086 k = 0.6730-0.5849 0.0178 ( 1710 PWs) bands (ev): 1.0454 1.0454 1.0793 1.0793 3.9446 3.9446 5.5006 5.5006 6.5573 6.5573 6.9732 6.9732 7.7455 7.7455 8.7104 8.7104 9.3420 9.3420 9.5470 9.5470 10.3911 10.3911 10.7865 10.7865 11.5592 11.5592 12.1533 12.1533 13.2630 13.2630 13.6622 13.6622 14.7801 14.7801 15.0625 15.0625 16.6171 16.6171 17.2022 17.2022 17.3920 17.3920 k = 0.6775-0.6035 0.0178 ( 1708 PWs) bands (ev): 1.1116 1.1116 1.1450 1.1450 3.9171 3.9171 5.4629 5.4629 6.5023 6.5023 6.9742 6.9742 7.7965 7.7965 8.6651 8.6651 9.2902 9.2902 9.5412 9.5412 10.3927 10.3927 10.7986 10.7986 11.6153 11.6153 12.1924 12.1924 13.2657 13.2657 13.7058 13.7058 14.7727 14.7727 15.0567 15.0567 16.5472 16.5472 17.1621 17.1621 17.3744 17.3744 k = 0.6821-0.6221 0.0178 ( 1710 PWs) bands (ev): 1.1779 1.1779 1.2110 1.2110 3.8871 3.8871 5.4275 5.4275 6.4436 6.4436 6.9807 6.9807 7.8499 7.8499 8.6150 8.6150 9.2383 9.2383 9.5381 9.5381 10.3920 10.3920 10.8065 10.8065 11.6749 11.6749 12.2335 12.2335 13.2738 13.2738 13.7441 13.7441 14.7648 14.7648 15.0537 15.0537 16.4734 16.4734 17.1236 17.1236 17.3556 17.3556 k = 0.6866-0.6407 0.0178 ( 1702 PWs) bands (ev): 1.2441 1.2441 1.2773 1.2773 3.8549 3.8549 5.3943 5.3943 6.3826 6.3826 6.9921 6.9921 7.9049 7.9049 8.5613 8.5613 9.1868 9.1868 9.5372 9.5372 10.3892 10.3892 10.8101 10.8101 11.7373 11.7373 12.2763 12.2763 13.2877 13.2877 13.7770 13.7770 14.7559 14.7559 15.0535 15.0535 16.3959 16.3959 17.0880 17.0880 17.3357 17.3357 k = 0.6912-0.6593 0.0178 ( 1702 PWs) bands (ev): 1.3103 1.3103 1.3436 1.3436 3.8205 3.8205 5.3627 5.3627 6.3207 6.3207 7.0078 7.0078 7.9610 7.9610 8.5052 8.5052 9.1359 9.1359 9.5378 9.5378 10.3843 10.3843 10.8091 10.8091 11.8011 11.8011 12.3209 12.3209 13.3072 13.3072 13.8042 13.8042 14.7457 14.7457 15.0556 15.0556 16.3148 16.3148 17.0559 17.0559 17.3146 17.3146 k = 0.6957-0.6780 0.0178 ( 1702 PWs) bands (ev): 1.3763 1.3763 1.4097 1.4097 3.7843 3.7843 5.3322 5.3322 6.2592 6.2592 7.0272 7.0272 8.0175 8.0175 8.4477 8.4477 9.0860 9.0860 9.5395 9.5395 10.3776 10.3776 10.8037 10.8037 11.8654 11.8654 12.3672 12.3672 13.3324 13.3324 13.8256 13.8256 14.7341 14.7341 15.0597 15.0597 16.2305 16.2305 17.0279 17.0279 17.2927 17.2927 k = 0.7003-0.6966 0.0178 ( 1702 PWs) bands (ev): 1.4421 1.4421 1.4756 1.4756 3.7463 3.7463 5.3021 5.3021 6.1994 6.1994 7.0499 7.0499 8.0737 8.0737 8.3902 8.3902 9.0371 9.0371 9.5420 9.5420 10.3695 10.3695 10.7939 10.7939 11.9292 11.9292 12.4149 12.4149 13.3627 13.3627 13.8415 13.8415 14.7207 14.7207 15.0652 15.0652 16.1436 16.1436 17.0046 17.0046 17.2701 17.2701 k = 0.7048-0.7152 0.0178 ( 1702 PWs) bands (ev): 1.5074 1.5074 1.5411 1.5411 3.7068 3.7068 5.2716 5.2716 6.1427 6.1427 7.0751 7.0751 8.1283 8.1283 8.3345 8.3345 8.9896 8.9896 9.5448 9.5448 10.3602 10.3602 10.7797 10.7797 11.9919 11.9919 12.4641 12.4641 13.3973 13.3973 13.8520 13.8520 14.7059 14.7059 15.0712 15.0712 16.0554 16.0554 16.9860 16.9860 17.2471 17.2471 k = 0.7094-0.7338 0.0178 ( 1700 PWs) bands (ev): 1.5723 1.5723 1.6061 1.6061 3.6659 3.6659 5.2394 5.2394 6.0905 6.0905 7.1022 7.1022 8.1767 8.1767 8.2858 8.2858 8.9437 8.9437 9.5478 9.5478 10.3500 10.3500 10.7614 10.7614 12.0527 12.0527 12.5148 12.5148 13.4348 13.4348 13.8579 13.8579 14.6896 14.6896 15.0766 15.0766 15.9672 15.9672 16.9724 16.9724 17.2241 17.2241 k = 0.7140-0.7524 0.0178 ( 1700 PWs) bands (ev): 1.6364 1.6364 1.6705 1.6705 3.6240 3.6240 5.2046 5.2046 6.0444 6.0444 7.1307 7.1307 8.1888 8.1888 8.2745 8.2745 8.8995 8.8995 9.5505 9.5505 10.3393 10.3393 10.7391 10.7391 12.1111 12.1111 12.5667 12.5667 13.4733 13.4733 13.8599 13.8599 14.6718 14.6718 15.0799 15.0799 15.8812 15.8812 16.9637 16.9637 17.2012 17.2012 k = 0.7185-0.7710 0.0178 ( 1700 PWs) bands (ev): 1.6997 1.6997 1.7341 1.7341 3.5810 3.5810 5.1660 5.1660 6.0057 6.0057 7.1598 7.1598 8.1515 8.1515 8.3147 8.3147 8.8571 8.8571 9.5530 9.5530 10.3284 10.3284 10.7129 10.7129 12.1666 12.1666 12.6198 12.6198 13.5101 13.5101 13.8593 13.8593 14.6528 14.6528 15.0793 15.0793 15.7998 15.7998 16.9597 16.9597 17.1788 17.1788 k = 0.7231-0.7896 0.0178 ( 1700 PWs) bands (ev): 1.7619 1.7619 1.7970 1.7970 3.5373 3.5373 5.1224 5.1224 5.9758 5.9758 7.1885 7.1885 8.1068 8.1068 8.3648 8.3648 8.8170 8.8170 9.5550 9.5550 10.3176 10.3176 10.6831 10.6831 12.2192 12.2192 12.6739 12.6739 13.5417 13.5417 13.8584 13.8584 14.6325 14.6325 15.0730 15.0730 15.7264 15.7264 16.9601 16.9601 17.1572 17.1572 k = 0.7276-0.8082 0.0178 ( 1700 PWs) bands (ev): 1.8230 1.8230 1.8589 1.8589 3.4930 3.4930 5.0734 5.0734 5.9554 5.9554 7.2159 7.2159 8.0648 8.0648 8.4154 8.4154 8.7794 8.7794 9.5564 9.5564 10.3071 10.3071 10.6501 10.6501 12.2686 12.2686 12.7287 12.7287 13.5638 13.5638 13.8593 13.8593 14.6114 14.6114 15.0592 15.0592 15.6641 15.6641 16.9647 16.9647 17.1368 17.1368 k = 0.7322-0.8268 0.0178 ( 1702 PWs) bands (ev): 1.8827 1.8827 1.9199 1.9199 3.4482 3.4482 5.0187 5.0187 5.9451 5.9451 7.2408 7.2408 8.0284 8.0284 8.4643 8.4643 8.7449 8.7449 9.5573 9.5573 10.2969 10.2969 10.6141 10.6141 12.3148 12.3148 12.7835 12.7835 13.5729 13.5729 13.8634 13.8634 14.5896 14.5896 15.0375 15.0375 15.6157 15.6157 16.9727 16.9727 17.1182 17.1182 k = 0.7367-0.8454 0.0178 ( 1706 PWs) bands (ev): 1.9409 1.9409 1.9796 1.9796 3.4032 3.4032 4.9583 4.9583 5.9447 5.9447 7.2620 7.2620 7.9991 7.9991 8.5095 8.5095 8.7147 8.7147 9.5574 9.5574 10.2872 10.2872 10.5756 10.5756 12.3578 12.3578 12.8377 12.8377 13.5677 13.5677 13.8693 13.8693 14.5675 14.5675 15.0095 15.0095 15.5818 15.5818 16.9834 16.9834 17.1021 17.1021 k = 0.7413-0.8641 0.0178 ( 1704 PWs) bands (ev): 1.9975 1.9975 2.0380 2.0380 3.3580 3.3580 4.8928 4.8928 5.9539 5.9539 7.2783 7.2783 7.9785 7.9785 8.5473 8.5473 8.6925 8.6925 9.5569 9.5569 10.2777 10.2777 10.5352 10.5352 12.3976 12.3976 12.8904 12.8904 13.5496 13.5496 13.8730 13.8730 14.5457 14.5457 14.9797 14.9797 15.5615 15.5615 16.9952 16.9952 17.0901 17.0901 k = 0.7458-0.8827 0.0178 ( 1704 PWs) bands (ev): 2.0526 2.0526 2.0949 2.0949 3.3128 3.3128 4.8228 4.8228 5.9720 5.9720 7.2888 7.2888 7.9675 7.9675 8.5690 8.5690 8.6869 8.6869 9.5558 9.5558 10.2682 10.2682 10.4940 10.4940 12.4341 12.4341 12.9406 12.9406 13.5214 13.5214 13.8693 13.8693 14.5242 14.5242 14.9536 14.9536 15.5518 15.5518 17.0053 17.0053 17.0847 17.0847 k = 0.7504-0.9013 0.0178 ( 1708 PWs) bands (ev): 2.1059 2.1059 2.1500 2.1500 3.2677 3.2677 4.7491 4.7491 5.9985 5.9985 7.2929 7.2929 7.9665 7.9665 8.5677 8.5677 8.7046 8.7046 9.5540 9.5540 10.2573 10.2573 10.4533 10.4533 12.4666 12.4666 12.9866 12.9866 13.4863 13.4863 13.8547 13.8547 14.5032 14.5032 14.9364 14.9364 15.5500 15.5500 17.0099 17.0099 17.0896 17.0896 k = 0.7549-0.9199 0.0178 ( 1708 PWs) bands (ev): 2.1576 2.1576 2.2031 2.2031 3.2231 3.2231 4.6725 4.6725 6.0326 6.0326 7.2910 7.2910 7.9754 7.9754 8.5525 8.5525 8.7363 8.7363 9.5517 9.5517 10.2431 10.2431 10.4157 10.4157 12.4947 12.4947 13.0266 13.0266 13.4470 13.4470 13.8284 13.8284 14.4821 14.4821 14.9321 14.9321 15.5536 15.5536 17.0088 17.0088 17.1050 17.1050 k = 0.7595-0.9385 0.0178 ( 1710 PWs) bands (ev): 2.2074 2.2074 2.2539 2.2539 3.1789 3.1789 4.5934 4.5934 6.0737 6.0737 7.2839 7.2839 7.9932 7.9932 8.5330 8.5330 8.7722 8.7722 9.5488 9.5488 10.2221 10.2221 10.3849 10.3849 12.5170 12.5170 13.0578 13.0578 13.4067 13.4067 13.7928 13.7928 14.4605 14.4605 14.9416 14.9416 15.5607 15.5607 17.0048 17.0048 17.1275 17.1275 k = 0.7640-0.9571 0.0178 ( 1710 PWs) bands (ev): 2.2555 2.2555 2.3021 2.3021 3.1355 3.1355 4.5126 4.5126 6.1212 6.1212 7.2731 7.2731 8.0184 8.0184 8.5131 8.5131 8.8084 8.8084 9.5456 9.5456 10.1914 10.1914 10.3642 10.3642 12.5320 12.5320 13.0771 13.0771 13.3683 13.3683 13.7525 13.7525 14.4381 14.4381 14.9638 14.9638 15.5700 15.5700 17.0007 17.0007 17.1543 17.1543 k = 0.7686-0.9757 0.0178 ( 1710 PWs) bands (ev): 2.3017 2.3017 2.3474 2.3474 3.0931 3.0931 4.4307 4.4307 6.1746 6.1746 7.2599 7.2599 8.0494 8.0494 8.4943 8.4943 8.8435 8.8435 9.5421 9.5421 10.1510 10.1510 10.3538 10.3538 12.5369 12.5369 13.0821 13.0821 13.3342 13.3342 13.7135 13.7135 14.4151 14.4151 14.9961 14.9961 15.5807 15.5807 16.9977 16.9977 17.1839 17.1839 k = 0.7731-0.9943 0.0178 ( 1708 PWs) bands (ev): 2.3458 2.3458 2.3895 2.3895 3.0519 3.0519 4.3480 4.3480 6.2334 6.2334 7.2456 7.2456 8.0848 8.0848 8.4770 8.4770 8.8767 8.8767 9.5383 9.5383 10.1035 10.1035 10.3515 10.3515 12.5289 12.5289 13.0743 13.0743 13.3034 13.3034 13.6818 13.6818 14.3922 14.3922 15.0360 15.0360 15.5923 15.5923 16.9964 16.9964 17.2152 17.2152 k = 0.7777-1.0129 0.0178 ( 1708 PWs) bands (ev): 2.3877 2.3877 2.4280 2.4280 3.0124 3.0124 4.2651 4.2651 6.2970 6.2970 7.2313 7.2313 8.1230 8.1230 8.4618 8.4618 8.9078 8.9078 9.5345 9.5345 10.0515 10.0515 10.3551 10.3551 12.5047 12.5047 13.0593 13.0593 13.2719 13.2719 13.6616 13.6616 14.3700 14.3700 15.0804 15.0804 15.6046 15.6046 16.9968 16.9968 17.2477 17.2477 k = 0.7822-1.0316 0.0178 ( 1708 PWs) bands (ev): 2.4268 2.4268 2.4627 2.4627 2.9750 2.9750 4.1823 4.1823 6.3651 6.3651 7.2179 7.2179 8.1626 8.1626 8.4491 8.4491 8.9366 8.9366 9.5306 9.5306 9.9968 9.9968 10.3628 10.3628 12.4626 12.4626 13.0433 13.0433 13.2367 13.2367 13.6535 13.6535 14.3493 14.3493 15.1274 15.1274 15.6174 15.6174 16.9991 16.9991 17.2806 17.2806 k = 0.2178-0.8903 0.9145 ( 1708 PWs) bands (ev): 2.4268 2.4268 2.4627 2.4627 2.9750 2.9750 4.1823 4.1823 6.3651 6.3651 7.2179 7.2179 8.1626 8.1626 8.4491 8.4491 8.9366 8.9366 9.5306 9.5306 9.9968 9.9968 10.3628 10.3628 12.4626 12.4626 13.0433 13.0433 13.2367 13.2367 13.6535 13.6535 14.3493 14.3493 15.1274 15.1274 15.6174 15.6174 16.9991 16.9991 17.2806 17.2806 k = 0.2132-0.8717 0.9145 ( 1708 PWs) bands (ev): 2.4619 2.4619 2.4939 2.4939 2.9407 2.9407 4.1005 4.1005 6.4371 6.4371 7.2061 7.2061 8.2019 8.2019 8.4397 8.4397 8.9627 8.9627 9.5267 9.5267 9.9410 9.9410 10.3738 10.3738 12.4036 12.4036 13.0287 13.0287 13.1994 13.1994 13.6549 13.6549 14.3307 14.3307 15.1751 15.1751 15.6311 15.6311 17.0030 17.0030 17.3133 17.3133 k = 0.2087-0.8532 0.9145 ( 1708 PWs) bands (ev): 2.4905 2.4905 2.5231 2.5231 2.9101 2.9101 4.0196 4.0196 6.5128 6.5128 7.1963 7.1963 8.2388 8.2388 8.4347 8.4347 8.9863 8.9863 9.5229 9.5229 9.8847 9.8847 10.3874 10.3874 12.3304 12.3304 13.0128 13.0128 13.1649 13.1649 13.6620 13.6620 14.3146 14.3146 15.2221 15.2221 15.6459 15.6459 17.0083 17.0083 17.3452 17.3452 k = 0.2042-0.8346 0.9145 ( 1708 PWs) bands (ev): 2.5095 2.5095 2.5519 2.5519 2.8842 2.8842 3.9404 3.9404 6.5919 6.5919 7.1887 7.1887 8.2707 8.2707 8.4363 8.4363 9.0073 9.0073 9.5190 9.5190 9.8289 9.8289 10.4032 10.4032 12.2470 12.2470 12.9889 12.9889 13.1404 13.1404 13.6715 13.6715 14.3015 14.3015 15.2675 15.2675 15.6622 15.6622 17.0148 17.0148 17.3756 17.3756 k = 0.1996-0.8161 0.9145 ( 1706 PWs) bands (ev): 2.5181 2.5181 2.5801 2.5801 2.8640 2.8640 3.8633 3.8633 6.6739 6.6739 7.1836 7.1836 8.2939 8.2939 8.4472 8.4472 9.0256 9.0256 9.5151 9.5151 9.7743 9.7743 10.4210 10.4210 12.1571 12.1571 12.9531 12.9531 13.1298 13.1298 13.6809 13.6809 14.2918 14.2918 15.3105 15.3105 15.6803 15.6803 17.0223 17.0223 17.4037 17.4037 k = 0.1951-0.7975 0.9145 ( 1710 PWs) bands (ev): 2.5166 2.5166 2.6063 2.6063 2.8499 2.8499 3.7889 3.7889 6.7586 6.7586 7.1809 7.1809 8.3069 8.3069 8.4684 8.4684 9.0411 9.0411 9.5108 9.5108 9.7219 9.7219 10.4403 10.4403 12.0640 12.0640 12.9080 12.9080 13.1298 13.1298 13.6887 13.6887 14.2855 14.2855 15.3503 15.3503 15.7006 15.7006 17.0301 17.0301 17.4288 17.4288 k = 0.1905-0.7790 0.9145 ( 1714 PWs) bands (ev): 2.5061 2.5061 2.6294 2.6294 2.8412 2.8412 3.7182 3.7182 6.8455 6.8455 7.1805 7.1805 8.3115 8.3115 8.4975 8.4975 9.0539 9.0539 9.5055 9.5055 9.6731 9.6731 10.4608 10.4608 11.9704 11.9704 12.8578 12.8578 13.1358 13.1358 13.6939 13.6939 14.2825 14.2825 15.3867 15.3867 15.7235 15.7235 17.0382 17.0382 17.4499 17.4499 k = 0.1860-0.7604 0.9145 ( 1718 PWs) bands (ev): 2.4883 2.4883 2.6485 2.6485 2.8365 2.8365 3.6522 3.6522 6.9343 6.9343 7.1824 7.1824 8.3107 8.3107 8.5308 8.5308 9.0639 9.0639 9.4980 9.4980 9.6300 9.6300 10.4823 10.4823 11.8786 11.8786 12.8055 12.8055 13.1443 13.1443 13.6963 13.6963 14.2828 14.2828 15.4197 15.4197 15.7488 15.7488 17.0460 17.0460 17.4664 17.4664 k = 0.1815-0.7419 0.9145 ( 1722 PWs) bands (ev): 2.4648 2.4648 2.6630 2.6630 2.8338 2.8338 3.5921 3.5921 7.0243 7.0243 7.1863 7.1863 8.3068 8.3068 8.5654 8.5654 9.0710 9.0710 9.4861 9.4861 9.5953 9.5953 10.5044 10.5044 11.7904 11.7904 12.7523 12.7523 13.1537 13.1537 13.6958 13.6958 14.2859 14.2859 15.4496 15.4496 15.7765 15.7765 17.0532 17.0532 17.4777 17.4777 k = 0.1769-0.7233 0.9145 ( 1722 PWs) bands (ev): 2.4373 2.4373 2.6719 2.6719 2.8310 2.8310 3.5394 3.5394 7.1141 7.1141 7.1930 7.1930 8.3009 8.3009 8.5998 8.5998 9.0752 9.0752 9.4677 9.4677 9.5723 9.5723 10.5267 10.5267 11.7076 11.7076 12.6995 12.6995 13.1627 13.1627 13.6928 13.6928 14.2913 14.2913 15.4770 15.4770 15.8061 15.8061 17.0594 17.0594 17.4836 17.4836 k = 0.1724-0.7048 0.9145 ( 1718 PWs) bands (ev): 2.4072 2.4072 2.6746 2.6746 2.8264 2.8264 3.4954 3.4954 7.1839 7.1839 7.2212 7.2212 8.2934 8.2934 8.6329 8.6329 9.0764 9.0764 9.4443 9.4443 9.5605 9.5605 10.5488 10.5488 11.6316 11.6316 12.6474 12.6474 13.1706 13.1706 13.6878 13.6878 14.2985 14.2985 15.5023 15.5023 15.8373 15.8373 17.0643 17.0643 17.4841 17.4841 k = 0.1679-0.6862 0.9145 ( 1718 PWs) bands (ev): 2.3752 2.3752 2.6699 2.6699 2.8192 2.8192 3.4614 3.4614 7.1976 7.1976 7.3060 7.3060 8.2845 8.2845 8.6643 8.6643 9.0748 9.0748 9.4196 9.4196 9.5564 9.5564 10.5702 10.5702 11.5637 11.5637 12.5964 12.5964 13.1770 13.1770 13.6809 13.6809 14.3070 14.3070 15.5263 15.5263 15.8695 15.8695 17.0676 17.0676 17.4796 17.4796 k = 0.1633-0.6677 0.9145 ( 1718 PWs) bands (ev): 2.3422 2.3422 2.6567 2.6567 2.8094 2.8094 3.4381 3.4381 7.2041 7.2041 7.3974 7.3974 8.2742 8.2742 8.6936 8.6936 9.0709 9.0709 9.3970 9.3970 9.5575 9.5575 10.5902 10.5902 11.5050 11.5050 12.5469 12.5469 13.1816 13.1816 13.6726 13.6726 14.3163 14.3163 15.5495 15.5495 15.9021 15.9021 17.0690 17.0690 17.4705 17.4705 k = 0.1588-0.6491 0.9145 ( 1718 PWs) bands (ev): 2.3086 2.3086 2.6341 2.6341 2.7980 2.7980 3.4252 3.4252 7.2088 7.2088 7.4886 7.4886 8.2625 8.2625 8.7210 8.7210 9.0652 9.0652 9.3779 9.3779 9.5625 9.5625 10.6085 10.6085 11.4564 11.4564 12.4992 12.4992 13.1842 13.1842 13.6633 13.6633 14.3261 14.3261 15.5723 15.5723 15.9350 15.9350 17.0683 17.0683 17.4573 17.4573 k = 0.1542-0.6306 0.9145 ( 1720 PWs) bands (ev): 2.2746 2.2746 2.6022 2.6022 2.7858 2.7858 3.4218 3.4218 7.2113 7.2113 7.5782 7.5782 8.2497 8.2497 8.7467 8.7467 9.0589 9.0589 9.3625 9.3625 9.5709 9.5709 10.6246 10.6246 11.4187 11.4187 12.4533 12.4533 13.1847 13.1847 13.6532 13.6532 14.3360 14.3360 15.5952 15.5952 15.9678 15.9678 17.0652 17.0652 17.4407 17.4407 k = 0.1497-0.6121 0.9145 ( 1724 PWs) bands (ev): 2.2405 2.2405 2.5621 2.5621 2.7732 2.7732 3.4264 3.4264 7.2112 7.2112 7.6651 7.6651 8.2360 8.2360 8.7712 8.7712 9.0531 9.0531 9.3503 9.3503 9.5825 9.5825 10.6383 10.6383 11.3921 11.3921 12.4096 12.4096 13.1831 13.1831 13.6425 13.6425 14.3459 14.3459 15.6183 15.6183 16.0002 16.0002 17.0596 17.0596 17.4211 17.4211 k = 0.1452-0.5935 0.9145 ( 1726 PWs) bands (ev): 2.2064 2.2064 2.5154 2.5154 2.7602 2.7602 3.4373 3.4373 7.2078 7.2078 7.7474 7.7474 8.2227 8.2227 8.7951 8.7951 9.0488 9.0488 9.3409 9.3409 9.5972 9.5972 10.6496 10.6496 11.3766 11.3766 12.3682 12.3682 13.1794 13.1794 13.6313 13.6313 14.3558 14.3558 15.6418 15.6418 16.0323 16.0323 17.0516 17.0516 17.3992 17.3992 k = 0.1406-0.5750 0.9145 ( 1726 PWs) bands (ev): 2.1725 2.1725 2.4641 2.4641 2.7467 2.7467 3.4533 3.4533 7.2006 7.2006 7.8223 7.8223 8.2118 8.2118 8.8192 8.8192 9.0471 9.0471 9.3339 9.3339 9.6149 9.6149 10.6589 10.6589 11.3716 11.3716 12.3296 12.3296 13.1737 13.1737 13.6195 13.6195 14.3655 14.3655 15.6658 15.6658 16.0639 16.0639 17.0409 17.0409 17.3753 17.3753 k = 0.1361-0.5564 0.9145 ( 1728 PWs) bands (ev): 2.1387 2.1387 2.4098 2.4098 2.7325 2.7325 3.4728 3.4728 7.1890 7.1890 7.8854 7.8854 8.2074 8.2074 8.8442 8.8442 9.0485 9.0485 9.3288 9.3288 9.6353 9.6353 10.6668 10.6668 11.3759 11.3759 12.2938 12.2938 13.1660 13.1660 13.6074 13.6074 14.3751 14.3751 15.6901 15.6901 16.0950 16.0950 17.0277 17.0277 17.3498 17.3498 k = 0.1316-0.5379 0.9145 ( 1728 PWs) bands (ev): 2.1051 2.1051 2.3538 2.3538 2.7174 2.7174 3.4950 3.4950 7.1729 7.1729 7.9301 7.9301 8.2157 8.2157 8.8706 8.8706 9.0536 9.0536 9.3258 9.3258 9.6583 9.6583 10.6741 10.6741 11.3884 11.3884 12.2610 12.2610 13.1565 13.1565 13.5947 13.5947 14.3848 14.3848 15.7146 15.7146 16.1256 16.1256 17.0120 17.0120 17.3231 17.3231 k = 0.1270-0.5193 0.9145 ( 1730 PWs) bands (ev): 2.0714 2.0714 2.2973 2.2973 2.7017 2.7017 3.5190 3.5190 7.1521 7.1521 7.9513 7.9513 8.2410 8.2410 8.8989 8.8989 9.0626 9.0626 9.3250 9.3250 9.6835 9.6835 10.6816 10.6816 11.4074 11.4074 12.2317 12.2317 13.1453 13.1453 13.5814 13.5814 14.3945 14.3945 15.7392 15.7392 16.1557 16.1557 16.9941 16.9941 17.2954 17.2954 k = 0.1225-0.5008 0.9145 ( 1740 PWs) bands (ev): 2.0376 2.0376 2.2411 2.2411 2.6851 2.6851 3.5443 3.5443 7.1265 7.1265 7.9515 7.9515 8.2807 8.2807 8.9293 8.9293 9.0753 9.0753 9.3268 9.3268 9.7104 9.7104 10.6901 10.6901 11.4317 11.4317 12.2059 12.2059 13.1326 13.1326 13.5674 13.5674 14.4045 14.4045 15.7635 15.7635 16.1853 16.1853 16.9740 16.9740 17.2670 17.2670 k = 0.1180-0.4822 0.9145 ( 1736 PWs) bands (ev): 2.0033 2.0033 2.1862 2.1862 2.6680 2.6680 3.5703 3.5703 7.0965 7.0965 7.9380 7.9380 8.3272 8.3272 8.9619 8.9619 9.0917 9.0917 9.3322 9.3322 9.7391 9.7391 10.7001 10.7001 11.4599 11.4599 12.1841 12.1841 13.1186 13.1186 13.5527 13.5527 14.4150 14.4150 15.7876 15.7876 16.2145 16.2145 16.9523 16.9523 17.2382 17.2382 k = 0.1134-0.4637 0.9145 ( 1736 PWs) bands (ev): 1.9682 1.9682 2.1335 2.1335 2.6503 2.6503 3.5968 3.5968 7.0623 7.0623 7.9170 7.9170 8.3741 8.3741 8.9960 8.9960 9.1114 9.1114 9.3418 9.3418 9.7690 9.7690 10.7119 10.7119 11.4907 11.4907 12.1665 12.1665 13.1035 13.1035 13.5371 13.5371 14.4263 14.4263 15.8109 15.8109 16.2430 16.2430 16.9291 16.9291 17.2089 17.2089 k = 0.1089-0.4451 0.9145 ( 1736 PWs) bands (ev): 1.9318 1.9318 2.0838 2.0838 2.6322 2.6322 3.6232 3.6232 7.0243 7.0243 7.8922 7.8922 8.4176 8.4176 9.0306 9.0306 9.1345 9.1345 9.3565 9.3565 9.8000 9.8000 10.7260 10.7260 11.5230 11.5230 12.1533 12.1533 13.0874 13.0874 13.5205 13.5205 14.4385 14.4385 15.8334 15.8334 16.2709 16.2709 16.9048 16.9048 17.1794 17.1794 k = 0.1043-0.4266 0.9145 ( 1736 PWs) bands (ev): 1.8935 1.8935 2.0380 2.0380 2.6138 2.6138 3.6495 3.6495 6.9832 6.9832 7.8657 7.8657 8.4560 8.4560 9.0636 9.0636 9.1614 9.1614 9.3770 9.3770 9.8320 9.8320 10.7425 10.7425 11.5559 11.5559 12.1448 12.1448 13.0706 13.0706 13.5028 13.5028 14.4518 14.4518 15.8548 15.8548 16.2979 16.2979 16.8801 16.8801 17.1497 17.1497 k = 0.0998-0.4080 0.9145 ( 1730 PWs) bands (ev): 1.8531 1.8531 1.9965 1.9965 2.5953 2.5953 3.6753 3.6753 6.9395 6.9395 7.8388 7.8388 8.4886 8.4886 9.0927 9.0927 9.1934 9.1934 9.4035 9.4035 9.8647 9.8647 10.7614 10.7614 11.5885 11.5885 12.1412 12.1412 13.0534 13.0534 13.4839 13.4839 14.4666 14.4666 15.8750 15.8750 16.3237 16.3237 16.8553 16.8553 17.1201 17.1201 k = 0.0953-0.3895 0.9145 ( 1728 PWs) bands (ev): 1.8109 1.8109 1.9594 1.9594 2.5767 2.5767 3.7006 3.7006 6.8938 6.8938 7.8123 7.8123 8.5153 8.5153 9.1161 9.1161 9.2308 9.2308 9.4354 9.4354 9.8982 9.8982 10.7827 10.7827 11.6202 11.6202 12.1426 12.1426 13.0360 13.0360 13.4638 13.4638 14.4829 14.4829 15.8936 15.8936 16.3479 16.3479 16.8309 16.8309 17.0906 17.0906 k = 0.0907-0.3709 0.9145 ( 1728 PWs) bands (ev): 1.7675 1.7675 1.9263 1.9263 2.5582 2.5582 3.7250 3.7250 6.8466 6.8466 7.7868 7.7868 8.5365 8.5365 9.1343 9.1343 9.2724 9.2724 9.4718 9.4718 9.9324 9.9324 10.8064 10.8064 11.6503 11.6503 12.1487 12.1487 13.0188 13.0188 13.4421 13.4421 14.5008 14.5008 15.9108 15.9108 16.3697 16.3697 16.8075 16.8075 17.0615 17.0615 k = 0.0862-0.3524 0.9145 ( 1730 PWs) bands (ev): 1.7234 1.7234 1.8966 1.8966 2.5398 2.5398 3.7486 3.7486 6.7985 6.7985 7.7627 7.7627 8.5529 8.5529 9.1486 9.1486 9.3163 9.3163 9.5114 9.5114 9.9674 9.9674 10.8323 10.8323 11.6785 11.6785 12.1592 12.1592 13.0021 13.0021 13.4191 13.4191 14.5207 14.5207 15.9262 15.9262 16.3884 16.3884 16.7857 16.7857 17.0332 17.0332 k = 0.0817-0.3338 0.9145 ( 1730 PWs) bands (ev): 1.6797 1.6797 1.8696 1.8696 2.5218 2.5218 3.7711 3.7711 6.7502 6.7502 7.7402 7.7402 8.5652 8.5652 9.1604 9.1604 9.3608 9.3608 9.5528 9.5528 10.0031 10.0031 10.8604 10.8604 11.7049 11.7049 12.1737 12.1737 12.9863 12.9863 13.3946 13.3946 14.5425 14.5425 15.9401 15.9401 16.4034 16.4034 16.7658 16.7658 17.0063 17.0063 k = 0.0771-0.3153 0.9145 ( 1728 PWs) bands (ev): 1.6367 1.6367 1.8450 1.8450 2.5042 2.5042 3.7926 3.7926 6.7020 6.7020 7.7195 7.7195 8.5741 8.5741 9.1704 9.1704 9.4047 9.4047 9.5948 9.5948 10.0398 10.0398 10.8905 10.8905 11.7293 11.7293 12.1914 12.1914 12.9718 12.9718 13.3686 13.3686 14.5664 14.5664 15.9523 15.9523 16.4139 16.4139 16.7480 16.7480 16.9814 16.9814 k = 0.0726-0.2968 0.9145 ( 1726 PWs) bands (ev): 1.5951 1.5951 1.8224 1.8224 2.4872 2.4872 3.8130 3.8130 6.6546 6.6546 7.7007 7.7007 8.5801 8.5801 9.1794 9.1794 9.4470 9.4470 9.6363 9.6363 10.0775 10.0775 10.9225 10.9225 11.7517 11.7517 12.2116 12.2116 12.9589 12.9589 13.3410 13.3410 14.5922 14.5922 15.9630 15.9630 16.4195 16.4195 16.7319 16.7319 16.9595 16.9595 k = 0.0681-0.2782 0.9145 ( 1726 PWs) bands (ev): 1.5550 1.5550 1.8016 1.8016 2.4707 2.4707 3.8321 3.8321 6.6082 6.6082 7.6837 7.6837 8.5838 8.5838 9.1874 9.1874 9.4870 9.4870 9.6762 9.6762 10.1159 10.1159 10.9561 10.9561 11.7721 11.7721 12.2335 12.2335 12.9480 12.9480 13.3120 13.3120 14.6200 14.6200 15.9720 15.9720 16.4202 16.4202 16.7167 16.7167 16.9415 16.9415 k = 0.0635-0.2597 0.9145 ( 1726 PWs) bands (ev): 1.5169 1.5169 1.7824 1.7824 2.4549 2.4549 3.8499 3.8499 6.5634 6.5634 7.6686 7.6686 8.5857 8.5857 9.1948 9.1948 9.5243 9.5243 9.7139 9.7139 10.1552 10.1552 10.9913 10.9913 11.7906 11.7906 12.2566 12.2566 12.9393 12.9393 13.2816 13.2816 14.6495 14.6495 15.9795 15.9795 16.4165 16.4165 16.7012 16.7012 16.9282 16.9282 k = 0.0590-0.2411 0.9145 ( 1726 PWs) bands (ev): 1.4808 1.4808 1.7646 1.7646 2.4398 2.4398 3.8665 3.8665 6.5203 6.5203 7.6553 7.6553 8.5863 8.5863 9.2016 9.2016 9.5588 9.5588 9.7488 9.7488 10.1951 10.1951 11.0277 11.0277 11.8066 11.8066 12.2805 12.2805 12.9332 12.9332 13.2498 13.2498 14.6807 14.6807 15.9856 15.9856 16.4093 16.4093 16.6842 16.6842 16.9201 16.9201 k = 0.0544-0.2226 0.9145 ( 1724 PWs) bands (ev): 1.4469 1.4469 1.7483 1.7483 2.4256 2.4256 3.8818 3.8818 6.4794 6.4794 7.6438 7.6438 8.5857 8.5857 9.2078 9.2078 9.5902 9.5902 9.7807 9.7807 10.2351 10.2351 11.0653 11.0653 11.8200 11.8200 12.3051 12.3051 12.9296 12.9296 13.2167 13.2167 14.7132 14.7132 15.9903 15.9903 16.3996 16.3996 16.6652 16.6652 16.9168 16.9168 k = 0.0499-0.2040 0.9145 ( 1720 PWs) bands (ev): 1.4154 1.4154 1.7334 1.7334 2.4123 2.4123 3.8957 3.8957 6.4408 6.4408 7.6340 7.6340 8.5845 8.5845 9.2136 9.2136 9.6186 9.6186 9.8093 9.8093 10.2747 10.2747 11.1039 11.1039 11.8300 11.8300 12.3304 12.3304 12.9284 12.9284 13.1826 13.1826 14.7468 14.7468 15.9938 15.9938 16.3884 16.3884 16.6444 16.6444 16.9174 16.9174 k = 0.0454-0.1855 0.9145 ( 1720 PWs) bands (ev): 1.3864 1.3864 1.7198 1.7198 2.4000 2.4000 3.9084 3.9084 6.4050 6.4050 7.6256 7.6256 8.5826 8.5826 9.2187 9.2187 9.6439 9.6439 9.8347 9.8347 10.3134 10.3134 11.1430 11.1430 11.8364 11.8364 12.3568 12.3568 12.9292 12.9292 13.1475 13.1475 14.7809 14.7809 15.9961 15.9961 16.3766 16.3766 16.6223 16.6223 16.9207 16.9207 k = 0.0408-0.1669 0.9145 ( 1720 PWs) bands (ev): 1.3599 1.3599 1.7075 1.7075 2.3886 2.3886 3.9198 3.9198 6.3719 6.3719 7.6187 7.6187 8.5805 8.5805 9.2233 9.2233 9.6662 9.6662 9.8570 9.8570 10.3507 10.3507 11.1824 11.1824 11.8387 11.8387 12.3846 12.3846 12.9314 12.9314 13.1118 13.1118 14.8149 14.8149 15.9973 15.9973 16.3649 16.3649 16.5996 16.5996 16.9255 16.9255 k = 0.0363-0.1484 0.9145 ( 1716 PWs) bands (ev): 1.3361 1.3361 1.6966 1.6966 2.3784 2.3784 3.9299 3.9299 6.3419 6.3419 7.6130 7.6130 8.5782 8.5782 9.2274 9.2274 9.6858 9.6858 9.8763 9.8763 10.3859 10.3859 11.2217 11.2217 11.8368 11.8368 12.4142 12.4142 12.9339 12.9339 13.0763 13.0763 14.8485 14.8485 15.9976 15.9976 16.3540 16.3540 16.5772 16.5772 16.9310 16.9310 k = 0.0318-0.1298 0.9145 ( 1716 PWs) bands (ev): 1.3149 1.3149 1.6869 1.6869 2.3692 2.3692 3.9387 3.9387 6.3151 6.3151 7.6084 7.6084 8.5759 8.5759 9.2309 9.2309 9.7026 9.7026 9.8929 9.8929 10.4183 10.4183 11.2606 11.2606 11.8306 11.8306 12.4457 12.4457 12.9350 12.9350 13.0422 13.0422 14.8808 14.8808 15.9971 15.9971 16.3441 16.3441 16.5555 16.5555 16.9364 16.9364 k = 0.0272-0.1113 0.9145 ( 1716 PWs) bands (ev): 1.2964 1.2964 1.6786 1.6786 2.3612 2.3612 3.9463 3.9463 6.2916 6.2916 7.6047 7.6047 8.5736 8.5736 9.2339 9.2339 9.7168 9.7168 9.9069 9.9069 10.4476 10.4476 11.2984 11.2984 11.8208 11.8208 12.4792 12.4792 12.9307 12.9307 13.0132 13.0132 14.9111 14.9111 15.9959 15.9959 16.3353 16.3353 16.5352 16.5352 16.9414 16.9414 k = 0.0227-0.0927 0.9145 ( 1716 PWs) bands (ev): 1.2807 1.2807 1.6715 1.6715 2.3544 2.3544 3.9527 3.9527 6.2716 6.2716 7.6019 7.6019 8.5716 8.5716 9.2364 9.2364 9.7286 9.7286 9.9183 9.9183 10.4732 10.4732 11.3345 11.3345 11.8081 11.8081 12.5145 12.5145 12.9145 12.9145 12.9954 12.9954 14.9386 14.9386 15.9944 15.9944 16.3281 16.3281 16.5168 16.5168 16.9456 16.9456 k = 0.0181-0.0742 0.9145 ( 1718 PWs) bands (ev): 1.2679 1.2679 1.6657 1.6657 2.3487 2.3487 3.9578 3.9578 6.2550 6.2550 7.5997 7.5997 8.5698 8.5698 9.2384 9.2384 9.7381 9.7381 9.9276 9.9276 10.4946 10.4946 11.3678 11.3678 11.7935 11.7935 12.5512 12.5512 12.8859 12.8859 12.9894 12.9894 14.9625 14.9625 15.9925 15.9925 16.3224 16.3224 16.5009 16.5009 16.9491 16.9491 k = 0.0136-0.0556 0.9145 ( 1712 PWs) bands (ev): 1.2578 1.2578 1.6612 1.6612 2.3443 2.3443 3.9619 3.9619 6.2421 6.2421 7.5982 7.5982 8.5684 8.5684 9.2400 9.2400 9.7454 9.7454 9.9346 9.9346 10.5118 10.5118 11.3971 11.3971 11.7787 11.7787 12.5887 12.5887 12.8509 12.8509 12.9890 12.9890 14.9822 14.9822 15.9909 15.9909 16.3182 16.3182 16.4880 16.4880 16.9517 16.9517 k = 0.0091-0.0371 0.9145 ( 1712 PWs) bands (ev): 1.2506 1.2506 1.6580 1.6580 2.3412 2.3412 3.9647 3.9647 6.2328 6.2328 7.5971 7.5971 8.5673 8.5673 9.2411 9.2411 9.7505 9.7505 9.9395 9.9395 10.5241 10.5241 11.4204 11.4204 11.7654 11.7654 12.6256 12.6256 12.8146 12.8146 12.9902 12.9902 14.9968 14.9968 15.9895 15.9895 16.3153 16.3153 16.4783 16.4783 16.9536 16.9536 k = 0.0045-0.0185 0.9145 ( 1712 PWs) bands (ev): 1.2463 1.2463 1.6561 1.6561 2.3393 2.3393 3.9664 3.9664 6.2273 6.2273 7.5965 7.5965 8.5667 8.5667 9.2417 9.2417 9.7536 9.7536 9.9424 9.9424 10.5316 10.5316 11.4359 11.4359 11.7561 11.7561 12.6586 12.6586 12.7816 12.7816 12.9913 12.9913 15.0058 15.0058 15.9886 15.9886 16.3136 16.3136 16.4723 16.4723 16.9547 16.9547 k = 0.0000 0.0000 0.9145 ( 1714 PWs) bands (ev): 1.2449 1.2449 1.6554 1.6554 2.3386 2.3386 3.9670 3.9670 6.2254 6.2254 7.5963 7.5963 8.5665 8.5665 9.2419 9.2419 9.7546 9.7546 9.9434 9.9434 10.5341 10.5341 11.4413 11.4413 11.7526 11.7526 12.6749 12.6749 12.7653 12.7653 12.9917 12.9917 15.0088 15.0088 15.9882 15.9882 16.3131 16.3131 16.4703 16.4703 16.9550 16.9550 k = 0.0000 0.0000 0.9145 ( 1714 PWs) bands (ev): 1.2449 1.2449 1.6554 1.6554 2.3386 2.3386 3.9670 3.9670 6.2254 6.2254 7.5963 7.5963 8.5665 8.5665 9.2419 9.2419 9.7546 9.7546 9.9434 9.9434 10.5341 10.5341 11.4413 11.4413 11.7526 11.7526 12.6749 12.6749 12.7653 12.7653 12.9917 12.9917 15.0088 15.0088 15.9882 15.9882 16.3131 16.3131 16.4703 16.4703 16.9550 16.9550 k = 0.0188 0.0046 0.9145 ( 1711 PWs) bands (ev): 1.2463 1.2463 1.6557 1.6557 2.3381 2.3381 3.9621 3.9621 6.2305 6.2305 7.5978 7.5978 8.5659 8.5659 9.2398 9.2398 9.7525 9.7525 9.9451 9.9451 10.5382 10.5382 11.4403 11.4403 11.7526 11.7526 12.6555 12.6555 12.7702 12.7702 13.0033 13.0033 15.0006 15.0006 15.9914 15.9914 16.3116 16.3116 16.4765 16.4765 16.9573 16.9573 k = 0.0376 0.0092 0.9145 ( 1709 PWs) bands (ev): 1.2504 1.2504 1.6566 1.6566 2.3363 2.3363 3.9477 3.9477 6.2456 6.2456 7.6021 7.6021 8.5643 8.5643 9.2336 9.2336 9.7465 9.7465 9.9499 9.9499 10.5504 10.5504 11.4375 11.4375 11.7525 11.7525 12.6093 12.6093 12.7768 12.7768 13.0341 13.0341 14.9764 14.9764 15.9998 15.9998 16.3093 16.3093 16.4936 16.4936 16.9642 16.9642 k = 0.0564 0.0138 0.9145 ( 1709 PWs) bands (ev): 1.2573 1.2573 1.6580 1.6580 2.3334 2.3334 3.9242 3.9242 6.2703 6.2703 7.6093 7.6093 8.5617 8.5617 9.2235 9.2235 9.7370 9.7370 9.9574 9.9574 10.5703 10.5703 11.4329 11.4329 11.7522 11.7522 12.5499 12.5499 12.7798 12.7798 13.0759 13.0759 14.9381 14.9381 16.0106 16.0106 16.3103 16.3103 16.5179 16.5179 16.9755 16.9755 k = 0.0752 0.0184 0.9145 ( 1711 PWs) bands (ev): 1.2670 1.2670 1.6599 1.6599 2.3293 2.3293 3.8923 3.8923 6.3038 6.3038 7.6194 7.6194 8.5580 8.5580 9.2099 9.2099 9.7246 9.7246 9.9673 9.9673 10.5972 10.5972 11.4264 11.4264 11.7515 11.7515 12.4830 12.4830 12.7797 12.7797 13.1229 13.1229 14.8876 14.8876 16.0205 16.0205 16.3189 16.3189 16.5466 16.5466 16.9909 16.9909 k = 0.0940 0.0230 0.9145 ( 1713 PWs) bands (ev): 1.2793 1.2793 1.6624 1.6624 2.3241 2.3241 3.8528 3.8528 6.3451 6.3451 7.6324 7.6324 8.5534 8.5534 9.1934 9.1934 9.7098 9.7098 9.9788 9.9788 10.6306 10.6306 11.4183 11.4183 11.7503 11.7503 12.4117 12.4117 12.7774 12.7774 13.1716 13.1716 14.8273 14.8273 16.0269 16.0269 16.3372 16.3372 16.5780 16.5780 17.0102 17.0102 k = 0.1128 0.0276 0.9145 ( 1717 PWs) bands (ev): 1.2944 1.2944 1.6653 1.6653 2.3179 2.3179 3.8067 3.8067 6.3931 6.3931 7.6485 7.6485 8.5480 8.5480 9.1744 9.1744 9.6930 9.6930 9.9918 9.9918 10.6696 10.6696 11.4084 11.4084 11.7483 11.7483 12.3377 12.3377 12.7737 12.7737 13.2201 13.2201 14.7591 14.7591 16.0292 16.0292 16.3650 16.3650 16.6110 16.6110 17.0328 17.0328 k = 0.1316 0.0322 0.9145 ( 1717 PWs) bands (ev): 1.3121 1.3121 1.6688 1.6688 2.3105 2.3105 3.7549 3.7549 6.4467 6.4467 7.6675 7.6675 8.5419 8.5419 9.1536 9.1536 9.6745 9.6745 10.0059 10.0059 10.7135 10.7135 11.3970 11.3970 11.7451 11.7451 12.2625 12.2625 12.7688 12.7688 13.2676 13.2676 14.6847 14.6847 16.0281 16.0281 16.4003 16.4003 16.6454 16.6454 17.0582 17.0582 k = 0.1504 0.0368 0.9145 ( 1720 PWs) bands (ev): 1.3325 1.3325 1.6728 1.6728 2.3022 2.3022 3.6983 3.6983 6.5047 6.5047 7.6897 7.6897 8.5351 8.5351 9.1315 9.1315 9.6546 9.6546 10.0209 10.0209 10.7614 10.7614 11.3841 11.3841 11.7402 11.7402 12.1873 12.1873 12.7632 12.7632 13.3135 13.3135 14.6056 14.6056 16.0250 16.0250 16.4406 16.4406 16.6808 16.6808 17.0855 17.0855 k = 0.1692 0.0414 0.9145 ( 1722 PWs) bands (ev): 1.3554 1.3554 1.6772 1.6772 2.2930 2.2930 3.6379 3.6379 6.5660 6.5660 7.7152 7.7152 8.5279 8.5279 9.1085 9.1085 9.6334 9.6334 10.0367 10.0367 10.8122 10.8122 11.3698 11.3698 11.7328 11.7328 12.1141 12.1141 12.7569 12.7569 13.3576 13.3576 14.5227 14.5227 16.0212 16.0212 16.4835 16.4835 16.7174 16.7174 17.1140 17.1140 k = 0.1879 0.0460 0.9145 ( 1719 PWs) bands (ev): 1.3808 1.3808 1.6821 1.6821 2.2829 2.2829 3.5745 3.5745 6.6293 6.6293 7.7440 7.7440 8.5204 8.5204 9.0852 9.0852 9.6109 9.6109 10.0531 10.0531 10.8647 10.8647 11.3542 11.3542 11.7217 11.7217 12.0449 12.0449 12.7504 12.7504 13.3996 13.3996 14.4371 14.4371 16.0173 16.0173 16.5275 16.5275 16.7555 16.7555 17.1430 17.1430 k = 0.2067 0.0506 0.9145 ( 1715 PWs) bands (ev): 1.4087 1.4087 1.6874 1.6874 2.2720 2.2720 3.5087 3.5087 6.6937 6.6937 7.7762 7.7762 8.5126 8.5126 9.0618 9.0618 9.5873 9.5873 10.0702 10.0702 10.9174 10.9174 11.3374 11.3374 11.7054 11.7054 11.9829 11.9829 12.7435 12.7435 13.4396 13.4396 14.3496 14.3496 16.0138 16.0138 16.5714 16.5714 16.7950 16.7950 17.1719 17.1719 k = 0.2255 0.0552 0.9145 ( 1714 PWs) bands (ev): 1.4389 1.4389 1.6930 1.6930 2.2603 2.2603 3.4414 3.4414 6.7581 6.7581 7.8120 7.8120 8.5048 8.5048 9.0388 9.0388 9.5624 9.5624 10.0878 10.0878 10.9680 10.9680 11.3200 11.3200 11.6824 11.6824 11.9312 11.9312 12.7365 12.7365 13.4772 13.4772 14.2609 14.2609 16.0109 16.0109 16.6143 16.6143 16.8357 16.8357 17.2002 17.2002 k = 0.2443 0.0598 0.9145 ( 1713 PWs) bands (ev): 1.4712 1.4712 1.6991 1.6991 2.2479 2.2479 3.3730 3.3730 6.8213 6.8213 7.8515 7.8515 8.4972 8.4972 9.0165 9.0165 9.5363 9.5363 10.1060 10.1060 11.0128 11.0128 11.3031 11.3031 11.6537 11.6537 11.8919 11.8919 12.7295 12.7295 13.5122 13.5122 14.1717 14.1717 16.0086 16.0086 16.6558 16.6558 16.8773 16.8773 17.2277 17.2277 k = 0.2631 0.0644 0.9145 ( 1715 PWs) bands (ev): 1.5056 1.5056 1.7055 1.7055 2.2350 2.2350 3.3042 3.3042 6.8825 6.8825 7.8946 7.8946 8.4899 8.4899 8.9950 8.9950 9.5088 9.5088 10.1247 10.1247 11.0458 11.0458 11.2890 11.2890 11.6235 11.6235 11.8643 11.8643 12.7226 12.7226 13.5442 13.5442 14.0832 14.0832 16.0068 16.0068 16.6958 16.6958 16.9193 16.9193 17.2541 17.2541 k = 0.2819 0.0690 0.9145 ( 1717 PWs) bands (ev): 1.5416 1.5416 1.7124 1.7124 2.2217 2.2217 3.2354 3.2354 6.9407 6.9407 7.9413 7.9413 8.4832 8.4832 8.9745 8.9745 9.4800 9.4800 10.1440 10.1440 11.0590 11.0590 11.2809 11.2809 11.5999 11.5999 11.8458 11.8458 12.7160 12.7160 13.5724 13.5724 13.9967 13.9967 16.0055 16.0055 16.7342 16.7342 16.9608 16.9608 17.2795 17.2795 k = 0.3007 0.0736 0.9145 ( 1719 PWs) bands (ev): 1.5788 1.5788 1.7198 1.7198 2.2080 2.2080 3.1672 3.1672 6.9954 6.9954 7.9913 7.9913 8.4773 8.4773 8.9554 8.9554 9.4496 9.4496 10.1639 10.1639 11.0477 11.0477 11.2787 11.2787 11.5908 11.5908 11.8334 11.8334 12.7095 12.7095 13.5949 13.5949 13.9143 13.9143 16.0045 16.0045 16.7708 16.7708 17.0013 17.0013 17.3042 17.3042 k = 0.3195 0.0782 0.9145 ( 1717 PWs) bands (ev): 1.6164 1.6164 1.7285 1.7285 2.1942 2.1942 3.1001 3.1001 7.0457 7.0457 8.0442 8.0442 8.4727 8.4727 8.9377 8.9377 9.4175 9.4175 10.1845 10.1845 11.0149 11.0149 11.2770 11.2770 11.6009 11.6009 11.8255 11.8255 12.7034 12.7034 13.6073 13.6073 13.8414 13.8414 16.0038 16.0038 16.8056 16.8056 17.0403 17.0403 17.3285 17.3285 k = 0.3383 0.0828 0.9145 ( 1714 PWs) bands (ev): 1.6525 1.6525 1.7395 1.7395 2.1806 2.1806 3.0346 3.0346 7.0913 7.0913 8.0990 8.0990 8.4700 8.4700 8.9217 8.9217 9.3836 9.3836 10.2059 10.2059 10.9678 10.9678 11.2714 11.2714 11.6285 11.6285 11.8211 11.8211 12.6976 12.6976 13.5994 13.5994 13.7885 13.7885 16.0033 16.0033 16.8381 16.8381 17.0772 17.0772 17.3524 17.3524 k = 0.3571 0.0873 0.9145 ( 1713 PWs) bands (ev): 1.6835 1.6835 1.7560 1.7560 2.1675 2.1675 2.9710 2.9710 7.1318 7.1318 8.1543 8.1543 8.4700 8.4700 8.9073 8.9073 9.3477 9.3477 10.2283 10.2283 10.9123 10.9123 11.2622 11.2622 11.6672 11.6672 11.8205 11.8205 12.6919 12.6919 13.5617 13.5617 13.7658 13.7658 16.0029 16.0029 16.8678 16.8678 17.1118 17.1118 17.3761 17.3761 k = 0.3759 0.0919 0.9145 ( 1717 PWs) bands (ev): 1.7050 1.7050 1.7814 1.7814 2.1556 2.1556 2.9101 2.9101 7.1670 7.1670 8.2080 8.2080 8.4742 8.4742 8.8949 8.8949 9.3098 9.3098 10.2514 10.2514 10.8530 10.8530 11.2511 11.2511 11.7085 11.7085 11.8258 11.8258 12.6864 12.6864 13.5035 13.5035 13.7650 13.7650 16.0026 16.0026 16.8942 16.8942 17.1441 17.1441 17.3993 17.3993 k = 0.3947 0.0965 0.9145 ( 1717 PWs) bands (ev): 1.7174 1.7174 1.8138 1.8138 2.1458 2.1458 2.8523 2.8523 7.1968 7.1968 8.2567 8.2567 8.4850 8.4850 8.8845 8.8845 9.2697 9.2697 10.2759 10.2759 10.7931 10.7931 11.2399 11.2399 11.7424 11.7424 11.8422 11.8422 12.6810 12.6810 13.4396 13.4396 13.7727 13.7727 16.0025 16.0025 16.9166 16.9166 17.1746 17.1746 17.4220 17.4220 k = 0.4135 0.1011 0.9145 ( 1713 PWs) bands (ev): 1.7243 1.7243 1.8474 1.8474 2.1400 2.1400 2.7982 2.7982 7.2213 7.2213 8.2964 8.2964 8.5050 8.5050 8.8766 8.8766 9.2278 9.2278 10.3015 10.3015 10.7349 10.7349 11.2295 11.2295 11.7620 11.7620 11.8727 11.8727 12.6758 12.6758 13.3779 13.3779 13.7823 13.7823 16.0025 16.0025 16.9346 16.9346 17.2032 17.2032 17.4433 17.4433 k = 0.4323 0.1057 0.9145 ( 1719 PWs) bands (ev): 1.7279 1.7279 1.8770 1.8770 2.1405 2.1405 2.7487 2.7487 7.2403 7.2403 8.3246 8.3246 8.5351 8.5351 8.8712 8.8712 9.1843 9.1843 10.3280 10.3280 10.6805 10.6805 11.2205 11.2205 11.7711 11.7711 11.9101 11.9101 12.6704 12.6704 13.3229 13.3229 13.7911 13.7911 16.0027 16.0027 16.9476 16.9476 17.2302 17.2302 17.4625 17.4625 k = 0.4511 0.1103 0.9145 ( 1719 PWs) bands (ev): 1.7288 1.7288 1.8984 1.8984 2.1501 2.1501 2.7046 2.7046 7.2540 7.2540 8.3423 8.3423 8.5717 8.5717 8.8694 8.8694 9.1404 9.1404 10.3545 10.3545 10.6322 10.6322 11.2133 11.2133 11.7757 11.7757 11.9454 11.9454 12.6654 12.6654 13.2779 13.2779 13.7981 13.7981 16.0033 16.0033 16.9554 16.9554 17.2551 17.2551 17.4787 17.4787 k = 0.4699 0.1149 0.9145 ( 1718 PWs) bands (ev): 1.7270 1.7270 1.9092 1.9092 2.1700 2.1700 2.6670 2.6670 7.2626 7.2626 8.3527 8.3527 8.6081 8.6081 8.8716 8.8716 9.0981 9.0981 10.3788 10.3788 10.5932 10.5932 11.2081 11.2081 11.7788 11.7788 11.9726 11.9726 12.6610 12.6610 13.2456 13.2456 13.8026 13.8026 16.0041 16.0041 16.9582 16.9582 17.2767 17.2767 17.4910 17.4910 k = 0.5000 0.1223-0.8967 ( 1722 PWs) bands (ev): 1.7380 1.7380 1.8996 1.8996 2.2217 2.2217 2.6071 2.6071 7.2660 7.2660 8.3639 8.3639 8.6525 8.6525 8.8888 8.8888 9.0338 9.0338 10.4034 10.4034 10.5606 10.5606 11.2050 11.2050 11.7818 11.7818 11.9898 11.9898 12.6572 12.6572 13.2208 13.2208 13.8051 13.8051 16.0053 16.0053 16.9606 16.9606 17.2980 17.2980 17.4998 17.4998 k = 0.5045 0.1038-0.8967 ( 1720 PWs) bands (ev): 1.7386 1.7386 1.9009 1.9009 2.2228 2.2228 2.6072 2.6072 7.2680 7.2680 8.3618 8.3618 8.6512 8.6512 8.8862 8.8862 9.0330 9.0330 10.4025 10.4025 10.5626 10.5626 11.2062 11.2062 11.7795 11.7795 11.9919 11.9919 12.6554 12.6554 13.2177 13.2177 13.8094 13.8094 16.0053 16.0053 16.9574 16.9574 17.2928 17.2928 17.4645 17.4645 k = 0.5090 0.0854-0.8967 ( 1720 PWs) bands (ev): 1.7404 1.7404 1.9050 1.9050 2.2262 2.2262 2.6076 2.6076 7.2741 7.2741 8.3554 8.3554 8.6473 8.6473 8.8788 8.8788 9.0302 9.0302 10.3996 10.3996 10.5683 10.5683 11.2100 11.2100 11.7729 11.7729 11.9978 11.9978 12.6501 12.6501 13.2085 13.2085 13.8222 13.8222 16.0052 16.0052 16.9477 16.9477 17.2736 17.2736 17.4251 17.4251 k = 0.5135 0.0669-0.8967 ( 1722 PWs) bands (ev): 1.7432 1.7432 1.9118 1.9118 2.2318 2.2318 2.6082 2.6082 7.2841 7.2841 8.3443 8.3443 8.6409 8.6409 8.8677 8.8677 9.0251 9.0251 10.3948 10.3948 10.5774 10.5774 11.2163 11.2163 11.7627 11.7627 12.0067 12.0067 12.6413 12.6413 13.1943 13.1943 13.8424 13.8424 16.0050 16.0050 16.9316 16.9316 17.2359 17.2359 17.4040 17.4040 k = 0.5181 0.0485-0.8967 ( 1722 PWs) bands (ev): 1.7473 1.7473 1.9212 1.9212 2.2396 2.2396 2.6091 2.6091 7.2981 7.2981 8.3282 8.3282 8.6322 8.6322 8.8541 8.8541 9.0170 9.0170 10.3882 10.3882 10.5893 10.5893 11.2250 11.2250 11.7499 11.7499 12.0176 12.0176 12.6293 12.6293 13.1764 13.1764 13.8690 13.8690 16.0047 16.0047 16.9092 16.9092 17.1842 17.1842 17.3988 17.3988 k = 0.5226 0.0300-0.8967 ( 1722 PWs) bands (ev): 1.7526 1.7526 1.9332 1.9332 2.2497 2.2497 2.6102 2.6102 7.3160 7.3160 8.3067 8.3067 8.6213 8.6213 8.8393 8.8393 9.0057 9.0057 10.3798 10.3798 10.6030 10.6030 11.2360 11.2360 11.7354 11.7354 12.0297 12.0297 12.6146 12.6146 13.1559 13.1559 13.9007 13.9007 16.0040 16.0040 16.8807 16.8807 17.1269 17.1269 17.4029 17.4029 k = 0.5271 0.0115-0.8967 ( 1720 PWs) bands (ev): 1.7591 1.7591 1.9478 1.9478 2.2621 2.2621 2.6115 2.6115 7.3377 7.3377 8.2797 8.2797 8.6084 8.6084 8.8241 8.8241 8.9910 8.9910 10.3697 10.3697 10.6179 10.6179 11.2492 11.2492 11.7199 11.7199 12.0422 12.0422 12.5973 12.5973 13.1342 13.1342 13.9365 13.9365 16.0029 16.0029 16.8461 16.8461 17.0688 17.0688 17.4120 17.4120 k = 0.5316-0.0069-0.8967 ( 1722 PWs) bands (ev): 1.7668 1.7668 1.9647 1.9647 2.2766 2.2766 2.6130 2.6130 7.3632 7.3632 8.2471 8.2471 8.5937 8.5937 8.8093 8.8093 8.9734 8.9734 10.3578 10.3578 10.6328 10.6328 11.2644 11.2644 11.7041 11.7041 12.0542 12.0542 12.5783 12.5783 13.1121 13.1121 13.9756 13.9756 16.0011 16.0011 16.8059 16.8059 17.0122 17.0122 17.4240 17.4240 k = 0.5361-0.0254-0.8967 ( 1726 PWs) bands (ev): 1.7758 1.7758 1.9840 1.9840 2.2933 2.2933 2.6147 2.6147 7.3922 7.3922 8.2091 8.2091 8.5771 8.5771 8.7944 8.7944 8.9536 8.9536 10.3443 10.3443 10.6468 10.6468 11.2814 11.2814 11.6884 11.6884 12.0653 12.0653 12.5581 12.5581 13.0905 13.0905 14.0172 14.0172 15.9984 15.9984 16.7611 16.7611 16.9580 16.9580 17.4380 17.4380 k = 0.5406-0.0438-0.8967 ( 1728 PWs) bands (ev): 1.7861 1.7861 2.0055 2.0055 2.3122 2.3122 2.6165 2.6165 7.4247 7.4247 8.1665 8.1665 8.5587 8.5587 8.7785 8.7785 8.9332 8.9332 10.3290 10.3290 10.6590 10.6590 11.3000 11.3000 11.6735 11.6735 12.0749 12.0749 12.5373 12.5373 13.0701 13.0701 14.0606 14.0606 15.9946 15.9946 16.7134 16.7134 16.9062 16.9062 17.4534 17.4534 k = 0.5452-0.0623-0.8967 ( 1728 PWs) bands (ev): 1.7976 1.7976 2.0291 2.0291 2.3332 2.3332 2.6186 2.6186 7.4602 7.4602 8.1199 8.1199 8.5384 8.5384 8.7598 8.7598 8.9143 8.9143 10.3120 10.3120 10.6686 10.6686 11.3198 11.3198 11.6598 11.6598 12.0825 12.0825 12.5167 12.5167 13.0511 13.0511 14.1056 14.1056 15.9896 15.9896 16.6643 16.6643 16.8562 16.8562 17.4695 17.4695 k = 0.5497-0.0808-0.8967 ( 1732 PWs) bands (ev): 1.8104 1.8104 2.0547 2.0547 2.3563 2.3563 2.6207 2.6207 7.4983 7.4983 8.0706 8.0706 8.5160 8.5160 8.7359 8.7359 8.8995 8.8995 10.2933 10.2933 10.6749 10.6749 11.3405 11.3405 11.6478 11.6478 12.0878 12.0878 12.4970 12.4970 13.0340 13.0340 14.1515 14.1515 15.9830 15.9830 16.6156 16.6156 16.8074 16.8074 17.4861 17.4861 k = 0.5542-0.0992-0.8967 ( 1730 PWs) bands (ev): 1.8244 1.8244 2.0822 2.0822 2.3815 2.3815 2.6231 2.6231 7.5380 7.5380 8.0199 8.0199 8.4917 8.4917 8.7056 8.7056 8.8904 8.8904 10.2729 10.2729 10.6774 10.6774 11.3617 11.3617 11.6378 11.6378 12.0903 12.0903 12.4788 12.4788 13.0191 13.0191 14.1979 14.1979 15.9748 15.9748 16.5690 16.5690 16.7592 16.7592 17.5029 17.5029 k = 0.5587-0.1177-0.8967 ( 1730 PWs) bands (ev): 1.8397 1.8397 2.1114 2.1114 2.4088 2.4088 2.6256 2.6256 7.5777 7.5777 7.9701 7.9701 8.4653 8.4653 8.6687 8.6687 8.8873 8.8873 10.2507 10.2507 10.6756 10.6756 11.3829 11.3829 11.6303 11.6303 12.0901 12.0901 12.4625 12.4625 13.0065 13.0065 14.2444 14.2444 15.9650 15.9650 16.5254 16.5254 16.7115 16.7115 17.5195 17.5195 k = 0.5632-0.1361-0.8967 ( 1728 PWs) bands (ev): 1.8563 1.8563 2.1420 2.1420 2.4380 2.4380 2.6285 2.6285 7.6138 7.6138 7.9250 7.9250 8.4367 8.4367 8.6265 8.6265 8.8892 8.8892 10.2268 10.2268 10.6695 10.6695 11.4037 11.4037 11.6255 11.6255 12.0871 12.0871 12.4484 12.4484 12.9963 12.9963 14.2901 14.2901 15.9538 15.9538 16.4856 16.4856 16.6643 16.6643 17.5358 17.5358 k = 0.5677-0.1546-0.8967 ( 1728 PWs) bands (ev): 1.8740 1.8740 2.1739 2.1739 2.4690 2.4690 2.6318 2.6318 7.6385 7.6385 7.8924 7.8924 8.4059 8.4059 8.5808 8.5808 8.8950 8.8950 10.2011 10.2011 10.6589 10.6589 11.4236 11.4236 11.6235 11.6235 12.0817 12.0817 12.4368 12.4368 12.9885 12.9885 14.3346 14.3346 15.9416 15.9416 16.4495 16.4495 16.6178 16.6178 17.5513 17.5513 k = 0.5722-0.1731-0.8967 ( 1730 PWs) bands (ev): 1.8930 1.8930 2.2069 2.2069 2.5016 2.5016 2.6357 2.6357 7.6399 7.6399 7.8840 7.8840 8.3727 8.3727 8.5332 8.5332 8.9039 8.9039 10.1735 10.1735 10.6443 10.6443 11.4421 11.4421 11.6241 11.6241 12.0745 12.0745 12.4276 12.4276 12.9831 12.9831 14.3770 14.3770 15.9294 15.9294 16.4166 16.4166 16.5730 16.5730 17.5659 17.5659 k = 0.5768-0.1915-0.8967 ( 1730 PWs) bands (ev): 1.9131 1.9131 2.2404 2.2404 2.5355 2.5355 2.6407 2.6407 7.6136 7.6136 7.9034 7.9034 8.3373 8.3373 8.4855 8.4855 8.9151 8.9151 10.1441 10.1441 10.6258 10.6258 11.4591 11.4591 11.6272 11.6272 12.0662 12.0662 12.4207 12.4207 12.9800 12.9800 14.4165 14.4165 15.9180 15.9180 16.3855 16.3855 16.5313 16.5313 17.5795 17.5795 k = 0.5813-0.2100-0.8967 ( 1732 PWs) bands (ev): 1.9344 1.9344 2.2742 2.2742 2.5698 2.5698 2.6481 2.6481 7.5688 7.5688 7.9393 7.9393 8.3010 8.3010 8.4396 8.4396 8.9280 8.9280 10.1128 10.1128 10.6040 10.6040 11.4740 11.4740 11.6322 11.6322 12.0579 12.0579 12.4158 12.4158 12.9790 12.9790 14.4520 14.4520 15.9085 15.9085 16.3540 16.3540 16.4948 16.4948 17.5920 17.5920 k = 0.5858-0.2284-0.8967 ( 1730 PWs) bands (ev): 1.9569 1.9569 2.3076 2.3076 2.6019 2.6019 2.6605 2.6605 7.5148 7.5148 7.9774 7.9774 8.2676 8.2676 8.3973 8.3973 8.9420 8.9420 10.0799 10.0799 10.5796 10.5796 11.4870 11.4870 11.6386 11.6386 12.0504 12.0504 12.4130 12.4130 12.9801 12.9801 14.4828 14.4828 15.9020 15.9020 16.3196 16.3196 16.4661 16.4661 17.6031 17.6031 k = 0.5903-0.2469-0.8967 ( 1730 PWs) bands (ev): 1.9804 1.9804 2.3400 2.3400 2.6271 2.6271 2.6832 2.6832 7.4561 7.4561 8.0022 8.0022 8.2468 8.2468 8.3606 8.3606 8.9567 8.9567 10.0452 10.0452 10.5529 10.5529 11.4977 11.4977 11.6457 11.6457 12.0447 12.0447 12.4118 12.4118 12.9831 12.9831 14.5079 14.5079 15.8992 15.8992 16.2808 16.2808 16.4466 16.4466 17.6126 17.6126 k = 0.5948-0.2654-0.8967 ( 1728 PWs) bands (ev): 2.0051 2.0051 2.3705 2.3705 2.6448 2.6448 2.7174 2.7174 7.3948 7.3948 7.9977 7.9977 8.2463 8.2463 8.3363 8.3363 8.9716 8.9716 10.0090 10.0090 10.5248 10.5248 11.5062 11.5062 11.6528 11.6528 12.0418 12.0418 12.4123 12.4123 12.9878 12.9878 14.5268 14.5268 15.9003 15.9003 16.2381 16.2381 16.4361 16.4361 17.6207 17.6207 k = 0.5993-0.2838-0.8967 ( 1726 PWs) bands (ev): 2.0308 2.0308 2.3980 2.3980 2.6605 2.6605 2.7584 2.7584 7.3320 7.3320 7.9638 7.9638 8.2438 8.2438 8.3464 8.3464 8.9863 8.9863 9.9714 9.9714 10.4960 10.4960 11.5122 11.5122 11.6593 11.6593 12.0425 12.0425 12.4142 12.4142 12.9941 12.9941 14.5388 14.5388 15.9046 15.9046 16.1932 16.1932 16.4338 16.4338 17.6271 17.6271 k = 0.6039-0.3023-0.8967 ( 1724 PWs) bands (ev): 2.0575 2.0575 2.4214 2.4214 2.6779 2.6779 2.8032 2.8032 7.2682 7.2682 7.9130 7.9130 8.2218 8.2218 8.3955 8.3955 9.0003 9.0003 9.9324 9.9324 10.4671 10.4671 11.5158 11.5158 11.6650 11.6650 12.0473 12.0473 12.4175 12.4175 13.0018 13.0018 14.5442 14.5442 15.9107 15.9107 16.1480 16.1480 16.4391 16.4391 17.6318 17.6318 k = 0.6084-0.3207-0.8967 ( 1722 PWs) bands (ev): 2.0852 2.0852 2.4400 2.4400 2.6988 2.6988 2.8505 2.8505 7.2035 7.2035 7.8542 7.8542 8.1932 8.1932 8.4620 8.4620 9.0130 9.0130 9.8923 9.8923 10.4389 10.4389 11.5167 11.5167 11.6699 11.6699 12.0565 12.0565 12.4220 12.4220 13.0109 13.0109 14.5431 14.5431 15.9152 15.9152 16.1052 16.1052 16.4519 16.4519 17.6349 17.6349 k = 0.6129-0.3392-0.8967 ( 1720 PWs) bands (ev): 2.1138 2.1138 2.4535 2.4535 2.7236 2.7236 2.8999 2.8999 7.1381 7.1381 7.7920 7.7920 8.1633 8.1633 8.5359 8.5359 9.0242 9.0242 9.8513 9.8513 10.4121 10.4121 11.5150 11.5150 11.6742 11.6742 12.0702 12.0702 12.4276 12.4276 13.0213 13.0213 14.5361 14.5361 15.9129 15.9129 16.0693 16.0693 16.4724 16.4724 17.6361 17.6361 k = 0.6174-0.3577-0.8967 ( 1718 PWs) bands (ev): 2.1434 2.1434 2.4620 2.4620 2.7520 2.7520 2.9511 2.9511 7.0721 7.0721 7.7287 7.7287 8.1336 8.1336 8.6135 8.6135 9.0332 9.0332 9.8096 9.8096 10.3875 10.3875 11.5107 11.5107 11.6782 11.6782 12.0882 12.0882 12.4341 12.4341 13.0329 13.0329 14.5239 14.5239 15.8970 15.8970 16.0454 16.0454 16.5006 16.5006 17.6355 17.6355 k = 0.6219-0.3761-0.8967 ( 1718 PWs) bands (ev): 2.1738 2.1738 2.4663 2.4663 2.7832 2.7832 3.0040 3.0040 7.0056 7.0056 7.6658 7.6658 8.1044 8.1044 8.6923 8.6923 9.0400 9.0400 9.7676 9.7676 10.3660 10.3660 11.5041 11.5041 11.6822 11.6822 12.1101 12.1101 12.4414 12.4414 13.0458 13.0458 14.5075 14.5075 15.8656 15.8656 16.0344 16.0344 16.5365 16.5365 17.6331 17.6331 k = 0.6264-0.3946-0.8967 ( 1722 PWs) bands (ev): 2.2049 2.2049 2.4670 2.4670 2.8161 2.8161 3.0585 3.0585 6.9388 6.9388 7.6043 7.6043 8.0760 8.0760 8.7699 8.7699 9.0447 9.0447 9.7256 9.7256 10.3484 10.3484 11.4955 11.4955 11.6866 11.6866 12.1354 12.1354 12.4493 12.4493 13.0597 13.0597 14.4876 14.4876 15.8238 15.8238 16.0304 16.0304 16.5794 16.5794 17.6288 17.6288 k = 0.6309-0.4130-0.8967 ( 1724 PWs) bands (ev): 2.2366 2.2366 2.4650 2.4650 2.8498 2.8498 3.1145 3.1145 6.8719 6.8719 7.5448 7.5448 8.0486 8.0486 8.8430 8.8430 9.0488 9.0488 9.6846 9.6846 10.3354 10.3354 11.4854 11.4854 11.6916 11.6916 12.1638 12.1638 12.4577 12.4577 13.0748 13.0748 14.4652 14.4652 15.7765 15.7765 16.0282 16.0282 16.6282 16.6282 17.6227 17.6227 k = 0.6355-0.4315-0.8967 ( 1724 PWs) bands (ev): 2.2688 2.2688 2.4610 2.4610 2.8833 2.8833 3.1719 3.1719 6.8052 6.8052 7.4878 7.4878 8.0222 8.0222 8.9042 8.9042 9.0571 9.0571 9.6457 9.6457 10.3277 10.3277 11.4742 11.4742 11.6974 11.6974 12.1948 12.1948 12.4665 12.4665 13.0910 13.0910 14.4412 14.4412 15.7266 15.7266 16.0250 16.0250 16.6816 16.6816 17.6148 17.6148 k = 0.6400-0.4500-0.8967 ( 1720 PWs) bands (ev): 2.3009 2.3009 2.4557 2.4557 2.9158 2.9158 3.2307 3.2307 6.7392 6.7392 7.4336 7.4336 7.9970 7.9970 8.9403 8.9403 9.0800 9.0800 9.6109 9.6109 10.3257 10.3257 11.4625 11.4625 11.7041 11.7041 12.2280 12.2280 12.4756 12.4756 13.1081 13.1081 14.4163 14.4163 15.6754 15.6754 16.0197 16.0197 16.7379 16.7379 17.6052 17.6052 k = 0.6445-0.4684-0.8967 ( 1720 PWs) bands (ev): 2.3322 2.3322 2.4503 2.4503 2.9465 2.9465 3.2909 3.2909 6.6744 6.6744 7.3823 7.3823 7.9728 7.9728 8.9464 8.9464 9.1178 9.1178 9.5841 9.5841 10.3299 10.3299 11.4505 11.4505 11.7119 11.7119 12.2627 12.2627 12.4851 12.4851 13.1261 13.1261 14.3914 14.3914 15.6236 15.6236 16.0121 16.0121 16.7955 16.7955 17.5939 17.5939 k = 0.6490-0.4869-0.8967 ( 1720 PWs) bands (ev): 2.3599 2.3599 2.4477 2.4477 2.9748 2.9748 3.3523 3.3523 6.6114 6.6114 7.3340 7.3340 7.9498 7.9498 8.9337 8.9337 9.1529 9.1529 9.5711 9.5711 10.3403 10.3403 11.4386 11.4386 11.7209 11.7209 12.2984 12.2984 12.4951 12.4951 13.1449 13.1449 14.3670 14.3670 15.5717 15.5717 16.0020 16.0020 16.8528 16.8528 17.5810 17.5810 k = 0.6535-0.5053-0.8967 ( 1718 PWs) bands (ev): 2.3781 2.3781 2.4540 2.4540 2.9999 2.9999 3.4149 3.4149 6.5511 6.5511 7.2887 7.2887 7.9281 7.9281 8.9106 8.9106 9.1702 9.1702 9.5784 9.5784 10.3568 10.3568 11.4269 11.4269 11.7314 11.7314 12.3344 12.3344 12.5060 12.5060 13.1643 13.1643 14.3440 14.3440 15.5199 15.5199 15.9895 15.9895 16.9086 16.9086 17.5667 17.5667 k = 0.6580-0.5238-0.8967 ( 1720 PWs) bands (ev): 2.3813 2.3813 2.4747 2.4747 3.0212 3.0212 3.4787 3.4787 6.4941 6.4941 7.2462 7.2462 7.9077 7.9077 8.8808 8.8808 9.1643 9.1643 9.6075 9.6075 10.3791 10.3791 11.4156 11.4156 11.7434 11.7434 12.3693 12.3693 12.5185 12.5185 13.1842 13.1842 14.3229 14.3229 15.4684 15.4684 15.9748 15.9748 16.9616 16.9616 17.5511 17.5511 k = 0.6626-0.5423-0.8967 ( 1720 PWs) bands (ev): 2.3744 2.3744 2.5050 2.5050 3.0381 3.0381 3.5436 3.5436 6.4411 6.4411 7.2064 7.2064 7.8885 7.8885 8.8459 8.8459 9.1385 9.1385 9.6532 9.6532 10.4069 10.4069 11.4046 11.4046 11.7573 11.7573 12.4013 12.4013 12.5342 12.5342 13.2044 13.2044 14.3046 14.3046 15.4174 15.4174 15.9580 15.9580 17.0109 17.0109 17.5346 17.5346 k = 0.6671-0.5607-0.8967 ( 1720 PWs) bands (ev): 2.3630 2.3630 2.5395 2.5395 3.0499 3.0499 3.6096 3.6096 6.3931 6.3931 7.1693 7.1693 7.8707 7.8707 8.8070 8.8070 9.0994 9.0994 9.7081 9.7081 10.4394 10.4394 11.3941 11.3941 11.7732 11.7732 12.4281 12.4281 12.5551 12.5551 13.2249 13.2249 14.2895 14.2895 15.3670 15.3670 15.9394 15.9394 17.0560 17.0560 17.5175 17.5175 k = 0.6716-0.5792-0.8967 ( 1716 PWs) bands (ev): 2.3491 2.3491 2.5758 2.5758 3.0562 3.0562 3.6767 3.6767 6.3508 6.3508 7.1346 7.1346 7.8541 7.8541 8.7650 8.7650 9.0520 9.0520 9.7668 9.7668 10.4762 10.4762 11.3837 11.3837 11.7914 11.7914 12.4476 12.4476 12.5826 12.5826 13.2456 13.2456 14.2783 14.2783 15.3173 15.3173 15.9189 15.9189 17.0964 17.0964 17.5001 17.5001 k = 0.6761-0.5976-0.8967 ( 1720 PWs) bands (ev): 2.3338 2.3338 2.6131 2.6131 3.0566 3.0566 3.7447 3.7447 6.3149 6.3149 7.1021 7.1021 7.8387 7.8387 8.7204 8.7204 8.9993 8.9993 9.8257 9.8257 10.5164 10.5164 11.3733 11.3733 11.8117 11.8117 12.4597 12.4597 12.6165 12.6165 13.2666 13.2666 14.2713 14.2713 15.2683 15.2683 15.8969 15.8969 17.1319 17.1319 17.4831 17.4831 k = 0.6806-0.6161-0.8967 ( 1718 PWs) bands (ev): 2.3175 2.3175 2.6506 2.6506 3.0508 3.0508 3.8136 3.8136 6.2859 6.2859 7.0716 7.0716 7.8245 7.8245 8.6740 8.6740 8.9432 8.9432 9.8830 9.8830 10.5594 10.5594 11.3629 11.3629 11.8345 11.8345 12.4656 12.4656 12.6550 12.6550 13.2880 13.2880 14.2691 14.2691 15.2204 15.2204 15.8735 15.8735 17.1624 17.1624 17.4671 17.4671 k = 0.6851-0.6346-0.8967 ( 1716 PWs) bands (ev): 2.3005 2.3005 2.6878 2.6878 3.0391 3.0391 3.8834 3.8834 6.2643 6.2643 7.0431 7.0431 7.8113 7.8113 8.6263 8.6263 8.8851 8.8851 9.9372 9.9372 10.6042 10.6042 11.3520 11.3520 11.8595 11.8595 12.4667 12.4667 12.6966 12.6966 13.3100 13.3100 14.2719 14.2719 15.1734 15.1734 15.8489 15.8489 17.1877 17.1877 17.4529 17.4529 k = 0.6896-0.6530-0.8967 ( 1716 PWs) bands (ev): 2.2828 2.2828 2.7237 2.7237 3.0218 3.0218 3.9540 3.9540 6.2505 6.2505 7.0164 7.0164 7.7989 7.7989 8.5777 8.5777 8.8258 8.8258 9.9877 9.9877 10.6503 10.6503 11.3405 11.3405 11.8865 11.8865 12.4638 12.4638 12.7398 12.7398 13.3328 13.3328 14.2796 14.2796 15.1275 15.1275 15.8236 15.8236 17.2077 17.2077 17.4417 17.4417 k = 0.3104-1.2688 0.0000 ( 1716 PWs) bands (ev): 2.2828 2.2828 2.7237 2.7237 3.0218 3.0218 3.9540 3.9540 6.2505 6.2505 7.0164 7.0164 7.7989 7.7989 8.5777 8.5777 8.8258 8.8258 9.9877 9.9877 10.6503 10.6503 11.3405 11.3405 11.8865 11.8865 12.4638 12.4638 12.7398 12.7398 13.3328 13.3328 14.2796 14.2796 15.1275 15.1275 15.8236 15.8236 17.2077 17.2077 17.4417 17.4417 k = 0.3058-1.2501 0.0000 ( 1714 PWs) bands (ev): 2.2644 2.2644 2.7569 2.7569 3.0006 3.0006 4.0262 4.0262 6.2447 6.2447 6.9910 6.9910 7.7871 7.7871 8.5283 8.5283 8.7654 8.7654 10.0348 10.0348 10.6971 10.6971 11.3281 11.3281 11.9154 11.9154 12.4573 12.4573 12.7846 12.7846 13.3570 13.3570 14.2925 14.2925 15.0824 15.0824 15.7975 15.7975 17.2220 17.2220 17.4346 17.4346 k = 0.3012-1.2315 0.0000 ( 1716 PWs) bands (ev): 2.2456 2.2456 2.7825 2.7825 2.9799 2.9799 4.0990 4.0990 6.2470 6.2470 6.9671 6.9671 7.7757 7.7757 8.4791 8.4791 8.7051 8.7051 10.0775 10.0775 10.7434 10.7434 11.3149 11.3149 11.9450 11.9450 12.4478 12.4478 12.8297 12.8297 13.3827 13.3827 14.3102 14.3102 15.0387 15.0387 15.7714 15.7714 17.2303 17.2303 17.4329 17.4329 k = 0.2967-1.2128 0.0000 ( 1716 PWs) bands (ev): 2.2264 2.2264 2.7918 2.7918 2.9686 2.9686 4.1725 4.1725 6.2573 6.2573 6.9446 6.9446 7.7643 7.7643 8.4305 8.4305 8.6455 8.6455 10.1161 10.1161 10.7883 10.7883 11.3008 11.3008 11.9745 11.9745 12.4357 12.4357 12.8749 12.8749 13.4103 13.4103 14.3322 14.3322 14.9965 14.9965 15.7458 15.7458 17.2327 17.2327 17.4369 17.4369 k = 0.2921-1.1942 0.0000 ( 1714 PWs) bands (ev): 2.2071 2.2071 2.7755 2.7755 2.9763 2.9763 4.2465 4.2465 6.2754 6.2754 6.9234 6.9234 7.7526 7.7526 8.3831 8.3831 8.5873 8.5873 10.1505 10.1505 10.8308 10.8308 11.2862 11.2862 12.0028 12.0028 12.4217 12.4217 12.9198 12.9198 13.4396 13.4396 14.3578 14.3578 14.9562 14.9562 15.7213 15.7213 17.2305 17.2305 17.4466 17.4466 k = 0.2875-1.1755 0.0000 ( 1710 PWs) bands (ev): 2.1875 2.1875 2.7363 2.7363 3.0007 3.0007 4.3211 4.3211 6.3009 6.3009 6.9034 6.9034 7.7401 7.7401 8.3373 8.3373 8.5311 8.5311 10.1811 10.1811 10.8695 10.8695 11.2716 11.2716 12.0283 12.0283 12.4071 12.4071 12.9641 12.9641 13.4709 13.4709 14.3864 14.3864 14.9181 14.9181 15.6986 15.6986 17.2250 17.2250 17.4610 17.4610 k = 0.2830-1.1568 0.0000 ( 1704 PWs) bands (ev): 2.1677 2.1677 2.6823 2.6823 3.0340 3.0340 4.3960 4.3960 6.3334 6.3334 6.8845 6.8845 7.7261 7.7261 8.2936 8.2936 8.4775 8.4775 10.2080 10.2080 10.9029 10.9029 11.2578 11.2578 12.0495 12.0495 12.3929 12.3929 13.0075 13.0075 13.5036 13.5036 14.4166 14.4166 14.8830 14.8830 15.6784 15.6784 17.2178 17.2178 17.4792 17.4792 k = 0.2784-1.1382 0.0000 ( 1706 PWs) bands (ev): 2.1478 2.1478 2.6186 2.6186 3.0716 3.0716 4.4713 4.4713 6.3722 6.3722 6.8666 6.8666 7.7100 7.7100 8.2524 8.2524 8.4275 8.4275 10.2315 10.2315 10.9291 10.9291 11.2460 11.2460 12.0648 12.0648 12.3806 12.3806 13.0496 13.0496 13.5376 13.5376 14.4468 14.4468 14.8518 14.8518 15.6613 15.6613 17.2101 17.2101 17.5007 17.5007 k = 0.2738-1.1195 0.0000 ( 1706 PWs) bands (ev): 2.1278 2.1278 2.5481 2.5481 3.1113 3.1113 4.5468 4.5468 6.4168 6.4168 6.8497 6.8497 7.6912 7.6912 8.2136 8.2136 8.3818 8.3818 10.2519 10.2519 10.9461 10.9461 11.2375 11.2375 12.0732 12.0732 12.3717 12.3717 13.0901 13.0901 13.5723 13.5723 14.4752 14.4752 14.8263 14.8263 15.6482 15.6482 17.2027 17.2027 17.5249 17.5249 k = 0.2693-1.1009 0.0000 ( 1708 PWs) bands (ev): 2.1076 2.1076 2.4722 2.4722 3.1519 3.1519 4.6224 4.6224 6.4665 6.4665 6.8338 6.8338 7.6694 7.6694 8.1772 8.1772 8.3417 8.3417 10.2695 10.2695 10.9522 10.9522 11.2331 11.2331 12.0742 12.0742 12.3667 12.3667 13.1286 13.1286 13.6071 13.6071 14.4987 14.4987 14.8091 14.8091 15.6396 15.6396 17.1962 17.1962 17.5516 17.5516 k = 0.2647-1.0822 0.0000 ( 1710 PWs) bands (ev): 2.0871 2.0871 2.3921 2.3921 3.1930 3.1930 4.6980 4.6980 6.5206 6.5206 6.8191 6.8191 7.6442 7.6442 8.1427 8.1427 8.3083 8.3083 10.2845 10.2845 10.9469 10.9469 11.2322 11.2322 12.0689 12.0689 12.3653 12.3653 13.1647 13.1647 13.6413 13.6413 14.5144 14.5144 14.8030 14.8030 15.6361 15.6361 17.1910 17.1910 17.5806 17.5806 k = 0.2601-1.0635 0.0000 ( 1710 PWs) bands (ev): 2.0660 2.0660 2.3089 2.3089 3.2341 3.2341 4.7736 4.7736 6.5776 6.5776 6.8063 6.8063 7.6158 7.6158 8.1095 8.1095 8.2824 8.2824 10.2972 10.2972 10.9314 10.9314 11.2328 11.2328 12.0591 12.0591 12.3663 12.3663 13.1979 13.1979 13.6744 13.6744 14.5203 14.5203 14.8101 14.8101 15.6382 15.6382 17.1874 17.1874 17.6115 17.6115 k = 0.2556-1.0449 0.0000 ( 1714 PWs) bands (ev): 2.0437 2.0437 2.2239 2.2239 3.2750 3.2750 4.8490 4.8490 6.6353 6.6353 6.7972 6.7972 7.5847 7.5847 8.0772 8.0772 8.2644 8.2644 10.3077 10.3077 10.9076 10.9076 11.2323 11.2323 12.0472 12.0472 12.3682 12.3682 13.2274 13.2274 13.7057 13.7057 14.5173 14.5173 14.8294 14.8294 15.6459 15.6459 17.1857 17.1857 17.6440 17.6440 k = 0.2510-1.0262 0.0000 ( 1704 PWs) bands (ev): 2.0179 2.0179 2.1401 2.1401 3.3154 3.3154 4.9241 4.9241 6.6863 6.6863 6.7987 6.7987 7.5516 7.5516 8.0460 8.0460 8.2541 8.2541 10.3162 10.3162 10.8774 10.8774 11.2280 11.2280 12.0354 12.0354 12.3698 12.3698 13.2528 13.2528 13.7355 13.7355 14.5087 14.5087 14.8580 14.8580 15.6598 15.6598 17.1859 17.1859 17.6772 17.6772 k = 0.2465-1.0076 0.0000 ( 1702 PWs) bands (ev): 1.9796 1.9796 2.0667 2.0667 3.3551 3.3551 4.9987 4.9987 6.7132 6.7132 6.8274 6.8274 7.5172 7.5172 8.0162 8.0162 8.2505 8.2505 10.3229 10.3229 10.8420 10.8420 11.2179 11.2179 12.0250 12.0250 12.3699 12.3699 13.2732 13.2732 13.7634 13.7634 14.4977 14.4977 14.8925 14.8925 15.6792 15.6792 17.1880 17.1880 17.7096 17.7096 k = 0.2419-0.9889 0.0000 ( 1700 PWs) bands (ev): 1.9134 1.9134 2.0197 2.0197 3.3939 3.3939 5.0728 5.0728 6.7149 6.7149 6.8840 6.8840 7.4825 7.4825 7.9882 7.9882 8.2528 8.2528 10.3277 10.3277 10.8025 10.8025 11.2009 11.2009 12.0169 12.0169 12.3681 12.3681 13.2880 13.2880 13.7902 13.7902 14.4868 14.4868 14.9303 14.9303 15.7039 15.7039 17.1920 17.1920 17.7382 17.7382 k = 0.2373-0.9702 0.0000 ( 1702 PWs) bands (ev): 1.8273 1.8273 1.9914 1.9914 3.4315 3.4315 5.1462 5.1462 6.7070 6.7070 6.9521 6.9521 7.4487 7.4487 7.9623 7.9623 8.2600 8.2600 10.3308 10.3308 10.7597 10.7597 11.1768 11.1768 12.0113 12.0113 12.3640 12.3640 13.2966 13.2966 13.8166 13.8166 14.4776 14.4776 14.9698 14.9698 15.7335 15.7335 17.1980 17.1980 17.7592 17.7592 k = 0.2328-0.9516 0.0000 ( 1698 PWs) bands (ev): 1.7346 1.7346 1.9689 1.9689 3.4678 3.4678 5.2186 5.2186 6.6962 6.6962 7.0244 7.0244 7.4171 7.4171 7.9391 7.9391 8.2712 8.2712 10.3323 10.3323 10.7140 10.7140 11.1458 11.1458 12.0078 12.0078 12.3575 12.3575 13.2990 13.2990 13.8434 13.8434 14.4707 14.4707 15.0100 15.0100 15.7674 15.7674 17.2057 17.2057 17.7684 17.7684 k = 0.2282-0.9329 0.0000 ( 1698 PWs) bands (ev): 1.6393 1.6393 1.9485 1.9485 3.5025 3.5025 5.2901 5.2901 6.6844 6.6844 7.0974 7.0974 7.3893 7.3893 7.9186 7.9186 8.2858 8.2858 10.3320 10.3320 10.6657 10.6657 11.1086 11.1086 12.0054 12.0054 12.3489 12.3489 13.2952 13.2952 13.8713 13.8713 14.4663 14.4663 15.0499 15.0499 15.8047 15.8047 17.2151 17.2151 17.7651 17.7651 k = 0.2236-0.9143 0.0000 ( 1696 PWs) bands (ev): 1.5427 1.5427 1.9290 1.9290 3.5353 3.5353 5.3603 5.3603 6.6724 6.6724 7.1671 7.1671 7.3691 7.3691 7.9010 7.9010 8.3031 8.3031 10.3299 10.3299 10.6153 10.6153 11.0663 11.0663 12.0030 12.0030 12.3386 12.3386 13.2862 13.2862 13.9008 13.9008 14.4645 14.4645 15.0892 15.0892 15.8451 15.8451 17.2261 17.2261 17.7527 17.7527 k = 0.2191-0.8956 0.0000 ( 1692 PWs) bands (ev): 1.4454 1.4454 1.9102 1.9102 3.5661 3.5661 5.4293 5.4293 6.6605 6.6605 7.2230 7.2230 7.3670 7.3670 7.8864 7.8864 8.3225 8.3225 10.3259 10.3259 10.5630 10.5630 11.0198 11.0198 11.9994 11.9994 12.3271 12.3271 13.2728 13.2728 13.9321 13.9321 14.4649 14.4649 15.1275 15.1275 15.8875 15.8875 17.2383 17.2383 17.7353 17.7353 k = 0.2145-0.8770 0.0000 ( 1694 PWs) bands (ev): 1.3480 1.3480 1.8917 1.8917 3.5946 3.5946 5.4967 5.4967 6.6490 6.6490 7.2472 7.2472 7.4005 7.4005 7.8751 7.8751 8.3438 8.3438 10.3197 10.3197 10.5092 10.5092 10.9702 10.9702 11.9932 11.9932 12.3153 12.3153 13.2562 13.2562 13.9650 13.9650 14.4674 14.4674 15.1644 15.1644 15.9312 15.9312 17.2517 17.2517 17.7157 17.7157 k = 0.2099-0.8583 0.0000 ( 1698 PWs) bands (ev): 1.2506 1.2506 1.8735 1.8735 3.6205 3.6205 5.5624 5.5624 6.6382 6.6382 7.2467 7.2467 7.4629 7.4629 7.8671 7.8671 8.3664 8.3664 10.3105 10.3105 10.4545 10.4545 10.9185 10.9185 11.9834 11.9834 12.3040 12.3040 13.2374 13.2374 13.9991 13.9991 14.4716 14.4716 15.2000 15.2000 15.9755 15.9755 17.2659 17.2659 17.6960 17.6960 k = 0.2054-0.8396 0.0000 ( 1697 PWs) bands (ev): 1.1535 1.1535 1.8555 1.8555 3.6436 3.6436 5.6263 5.6263 6.6281 6.6281 7.2397 7.2397 7.5353 7.5353 7.8629 7.8629 8.3901 8.3901 10.2965 10.2965 10.4011 10.4011 10.8658 10.8658 11.9691 11.9691 12.2940 12.2940 13.2177 13.2177 14.0342 14.0342 14.4776 14.4776 15.2342 15.2342 16.0199 16.0199 17.2808 17.2808 17.6772 17.6772 k = 0.2008-0.8210 0.0000 ( 1701 PWs) bands (ev): 1.0568 1.0568 1.8377 1.8377 3.6636 3.6636 5.6884 5.6884 6.6191 6.6191 7.2336 7.2336 7.6093 7.6093 7.8630 7.8630 8.4146 8.4146 10.2728 10.2728 10.3538 10.3538 10.8127 10.8127 11.9499 11.9499 12.2861 12.2861 13.1979 13.1979 14.0697 14.0697 14.4851 14.4851 15.2671 15.2671 16.0638 16.0638 17.2962 17.2962 17.6598 17.6598 k = 0.1963-0.8023 0.0000 ( 1703 PWs) bands (ev): 0.9609 0.9609 1.8201 1.8201 3.6804 3.6804 5.7484 5.7484 6.6112 6.6112 7.2309 7.2309 7.6805 7.6805 7.8696 7.8696 8.4395 8.4395 10.2322 10.2322 10.3199 10.3199 10.7601 10.7601 11.9260 11.9260 12.2805 12.2805 13.1786 13.1786 14.1049 14.1049 14.4943 14.4943 15.2988 15.2988 16.1065 16.1065 17.3118 17.3118 17.6444 17.6444 k = 0.1917-0.7837 0.0000 ( 1703 PWs) bands (ev): 0.8657 0.8657 1.8026 1.8026 3.6937 3.6937 5.8066 5.8066 6.6045 6.6045 7.2326 7.2326 7.7429 7.7429 7.8873 7.8873 8.4647 8.4647 10.1773 10.1773 10.2969 10.2969 10.7085 10.7085 11.8979 11.8979 12.2772 12.2772 13.1603 13.1603 14.1394 14.1394 14.5051 14.5051 15.3292 15.3292 16.1477 16.1477 17.3273 17.3273 17.6311 17.6311 k = 0.1871-0.7650 0.0000 ( 1705 PWs) bands (ev): 0.7714 0.7714 1.7852 1.7852 3.7035 3.7035 5.8627 5.8627 6.5990 6.5990 7.2390 7.2390 7.7878 7.7878 7.9238 7.9238 8.4900 8.4900 10.1155 10.1155 10.2776 10.2776 10.6587 10.6587 11.8666 11.8666 12.2760 12.2760 13.1434 13.1434 14.1725 14.1725 14.5175 14.5175 15.3588 15.3588 16.1867 16.1867 17.3424 17.3424 17.6202 17.6202 k = 0.1826-0.7463 0.0000 ( 1707 PWs) bands (ev): 0.6782 0.6782 1.7679 1.7679 3.7094 3.7094 5.9170 5.9170 6.5949 6.5949 7.2503 7.2503 7.8144 7.8144 7.9791 7.9791 8.5152 8.5152 10.0502 10.0502 10.2589 10.2589 10.6110 10.6110 11.8330 11.8330 12.2767 12.2767 13.1278 13.1278 14.2039 14.2039 14.5316 14.5316 15.3875 15.3875 16.2234 16.2234 17.3568 17.3568 17.6119 17.6119 k = 0.1780-0.7277 0.0000 ( 1705 PWs) bands (ev): 0.5862 0.5862 1.7507 1.7507 3.7117 3.7117 5.9695 5.9695 6.5921 6.5921 7.2665 7.2665 7.8316 7.8316 8.0439 8.0439 8.5403 8.5403 9.9831 9.9831 10.2395 10.2395 10.5659 10.5659 11.7983 11.7983 12.2791 12.2791 13.1139 13.1139 14.2331 14.2331 14.5473 14.5473 15.4158 15.4158 16.2572 16.2572 17.3703 17.3703 17.6063 17.6063 k = 0.1734-0.7090 0.0000 ( 1705 PWs) bands (ev): 0.4954 0.4954 1.7336 1.7336 3.7101 3.7101 6.0205 6.0205 6.5905 6.5905 7.2874 7.2874 7.8455 7.8455 8.1110 8.1110 8.5650 8.5650 9.9149 9.9149 10.2190 10.2190 10.5239 10.5239 11.7633 11.7633 12.2830 12.2830 13.1013 13.1013 14.2599 14.2599 14.5645 14.5645 15.4435 15.4435 16.2879 16.2879 17.3825 17.3825 17.6035 17.6035 k = 0.1689-0.6904 0.0000 ( 1709 PWs) bands (ev): 0.4059 0.4059 1.7165 1.7165 3.7047 3.7047 6.0702 6.0702 6.5900 6.5900 7.3128 7.3128 7.8588 7.8588 8.1773 8.1773 8.5894 8.5894 9.8464 9.8464 10.1976 10.1976 10.4851 10.4851 11.7288 11.7288 12.2880 12.2880 13.0899 13.0899 14.2840 14.2840 14.5829 14.5829 15.4709 15.4709 16.3151 16.3151 17.3930 17.3930 17.6038 17.6038 k = 0.1643-0.6717 0.0000 ( 1707 PWs) bands (ev): 0.3179 0.3179 1.6996 1.6996 3.6957 3.6957 6.1187 6.1187 6.5907 6.5907 7.3422 7.3422 7.8724 7.8724 8.2411 8.2411 8.6134 8.6134 9.7780 9.7780 10.1753 10.1753 10.4500 10.4500 11.6957 11.6957 12.2944 12.2944 13.0798 13.0798 14.3053 14.3053 14.6024 14.6024 15.4982 15.4982 16.3388 16.3388 17.4020 17.4020 17.6072 17.6072 k = 0.1597-0.6531 0.0000 ( 1705 PWs) bands (ev): 0.2315 0.2315 1.6827 1.6827 3.6831 3.6831 6.1661 6.1661 6.5923 6.5923 7.3752 7.3752 7.8866 7.8866 8.3012 8.3012 8.6371 8.6371 9.7105 9.7105 10.1525 10.1525 10.4186 10.4186 11.6643 11.6643 12.3018 12.3018 13.0706 13.0706 14.3237 14.3237 14.6229 14.6229 15.5252 15.5252 16.3588 16.3588 17.4093 17.4093 17.6137 17.6137 k = 0.1552-0.6344 0.0000 ( 1699 PWs) bands (ev): 0.1466 0.1466 1.6659 1.6659 3.6671 3.6671 6.2127 6.2127 6.5949 6.5949 7.4114 7.4114 7.9015 7.9015 8.3569 8.3569 8.6604 8.6604 9.6445 9.6445 10.1295 10.1295 10.3912 10.3912 11.6350 11.6350 12.3104 12.3104 13.0624 13.0624 14.3390 14.3390 14.6441 14.6441 15.5519 15.5519 16.3751 16.3751 17.4153 17.4153 17.6230 17.6230 k = 0.1506-0.6157 0.0000 ( 1697 PWs) bands (ev): 0.0635 0.0635 1.6492 1.6492 3.6479 3.6479 6.2584 6.2584 6.5981 6.5981 7.4503 7.4503 7.9172 7.9172 8.4073 8.4073 8.6832 8.6832 9.5806 9.5806 10.1068 10.1068 10.3681 10.3681 11.6081 11.6081 12.3198 12.3198 13.0549 13.0549 14.3511 14.3511 14.6660 14.6660 15.5781 15.5781 16.3879 16.3879 17.4203 17.4203 17.6345 17.6345 k = 0.1460-0.5971 0.0000 ( 1703 PWs) bands (ev): -0.0180 -0.0180 1.6327 1.6327 3.6258 3.6258 6.3030 6.3030 6.6021 6.6021 7.4913 7.4913 7.9336 7.9336 8.4519 8.4519 8.7053 8.7053 9.5195 9.5195 10.0848 10.0848 10.3492 10.3492 11.5836 11.5836 12.3301 12.3301 13.0479 13.0479 14.3599 14.3599 14.6884 14.6884 15.6035 15.6035 16.3973 16.3973 17.4248 17.4248 17.6477 17.6477 k = 0.1415-0.5784 0.0000 ( 1707 PWs) bands (ev): -0.0976 -0.0976 1.6162 1.6162 3.6010 3.6010 6.3464 6.3464 6.6068 6.6068 7.5339 7.5339 7.9506 7.9506 8.4905 8.4905 8.7261 8.7261 9.4623 9.4623 10.0642 10.0642 10.3351 10.3351 11.5616 11.5616 12.3412 12.3412 13.0414 13.0414 14.3651 14.3651 14.7113 14.7113 15.6279 15.6279 16.4038 16.4038 17.4293 17.4293 17.6622 17.6622 k = 0.1369-0.5598 0.0000 ( 1707 PWs) bands (ev): -0.1753 -0.1753 1.5999 1.5999 3.5738 3.5738 6.3883 6.3883 6.6123 6.6123 7.5779 7.5779 7.9680 7.9680 8.5232 8.5232 8.7448 8.7448 9.4096 9.4096 10.0454 10.0454 10.3258 10.3258 11.5421 11.5421 12.3530 12.3530 13.0353 13.0353 14.3668 14.3668 14.7346 14.7346 15.6511 15.6511 16.4081 16.4081 17.4341 17.4341 17.6773 17.6773 k = 0.1324-0.5411 0.0000 ( 1707 PWs) bands (ev): -0.2511 -0.2511 1.5838 1.5838 3.5446 3.5446 6.4281 6.4281 6.6188 6.6188 7.6227 7.6227 7.9858 7.9858 8.5503 8.5503 8.7605 8.7605 9.3625 9.3625 10.0290 10.0290 10.3217 10.3217 11.5249 11.5249 12.3652 12.3652 13.0296 13.0296 14.3649 14.3649 14.7577 14.7577 15.6727 15.6727 16.4110 16.4110 17.4396 17.4396 17.6925 17.6925 k = 0.1278-0.5224 0.0000 ( 1705 PWs) bands (ev): -0.3248 -0.3248 1.5678 1.5678 3.5136 3.5136 6.4648 6.4648 6.6267 6.6267 7.6682 7.6682 8.0038 8.0038 8.5723 8.5723 8.7722 8.7722 9.3216 9.3216 10.0155 10.0155 10.3229 10.3229 11.5098 11.5098 12.3777 12.3777 13.0241 13.0241 14.3595 14.3595 14.7803 14.7803 15.6925 15.6925 16.4134 16.4134 17.4459 17.4459 17.7072 17.7072 k = 0.1232-0.5038 0.0000 ( 1703 PWs) bands (ev): -0.3965 -0.3965 1.5521 1.5521 3.4811 3.4811 6.4974 6.4974 6.6368 6.6368 7.7141 7.7141 8.0218 8.0218 8.5898 8.5898 8.7793 8.7793 9.2874 9.2874 10.0053 10.0053 10.3295 10.3295 11.4965 11.4965 12.3900 12.3900 13.0188 13.0188 14.3508 14.3508 14.8015 14.8015 15.7102 15.7102 16.4164 16.4164 17.4528 17.4528 17.7209 17.7209 k = 0.1187-0.4851 0.0000 ( 1703 PWs) bands (ev): -0.4661 -0.4661 1.5365 1.5365 3.4474 3.4474 6.5243 6.5243 6.6501 6.6501 7.7601 7.7601 8.0396 8.0396 8.6032 8.6032 8.7818 8.7818 9.2598 9.2598 9.9987 9.9987 10.3415 10.3415 11.4848 11.4848 12.4020 12.4020 13.0138 13.0138 14.3389 14.3389 14.8205 14.8205 15.7259 15.7259 16.4212 16.4212 17.4603 17.4603 17.7332 17.7332 k = 0.1141-0.4665 0.0000 ( 1707 PWs) bands (ev): -0.5335 -0.5335 1.5212 1.5212 3.4128 3.4128 6.5443 6.5443 6.6670 6.6670 7.8058 7.8058 8.0570 8.0570 8.6131 8.6131 8.7808 8.7808 9.2383 9.2383 9.9960 9.9960 10.3589 10.3589 11.4744 11.4744 12.4131 12.4131 13.0089 13.0089 14.3242 14.3242 14.8364 14.8364 15.7394 15.7394 16.4291 16.4291 17.4683 17.4683 17.7436 17.7436 k = 0.1095-0.4478 0.0000 ( 1707 PWs) bands (ev): -0.5987 -0.5987 1.5062 1.5062 3.3775 3.3775 6.5577 6.5577 6.6871 6.6871 7.8510 7.8510 8.0741 8.0741 8.6199 8.6199 8.7776 8.7776 9.2219 9.2219 9.9975 9.9975 10.3815 10.3815 11.4651 11.4651 12.4231 12.4231 13.0041 13.0041 14.3069 14.3069 14.8482 14.8482 15.7511 15.7511 16.4414 16.4414 17.4765 17.4765 17.7521 17.7521 k = 0.1050-0.4291 0.0000 ( 1707 PWs) bands (ev): -0.6616 -0.6616 1.4915 1.4915 3.3419 3.3419 6.5656 6.5656 6.7089 6.7089 7.8950 7.8950 8.0910 8.0910 8.6242 8.6242 8.7739 8.7739 9.2092 9.2092 10.0032 10.0032 10.4090 10.4090 11.4567 11.4567 12.4315 12.4315 12.9996 12.9996 14.2873 14.2873 14.8551 14.8551 15.7611 15.7611 16.4591 16.4591 17.4845 17.4845 17.7585 17.7585 k = 0.1004-0.4105 0.0000 ( 1707 PWs) bands (ev): -0.7222 -0.7222 1.4772 1.4772 3.3061 3.3061 6.5693 6.5693 6.7305 6.7305 7.9364 7.9364 8.1085 8.1085 8.6266 8.6266 8.7712 8.7712 9.1992 9.1992 10.0129 10.0129 10.4410 10.4410 11.4489 11.4489 12.4379 12.4379 12.9953 12.9953 14.2657 14.2657 14.8561 14.8561 15.7698 15.7698 16.4831 16.4831 17.4920 17.4920 17.7628 17.7628 k = 0.0958-0.3918 0.0000 ( 1707 PWs) bands (ev): -0.7804 -0.7804 1.4632 1.4632 3.2703 3.2703 6.5699 6.5699 6.7508 6.7508 7.9731 7.9731 8.1285 8.1285 8.6283 8.6283 8.7704 8.7704 9.1908 9.1908 10.0266 10.0266 10.4773 10.4773 11.4415 11.4415 12.4418 12.4418 12.9911 12.9911 14.2424 14.2424 14.8509 14.8509 15.7775 15.7775 16.5142 16.5142 17.4987 17.4987 17.7653 17.7653 k = 0.0913-0.3732 0.0000 ( 1709 PWs) bands (ev): -0.8363 -0.8363 1.4497 1.4497 3.2349 3.2349 6.5682 6.5682 6.7690 6.7690 8.0021 8.0021 8.1537 8.1537 8.6303 8.6303 8.7722 8.7722 9.1834 9.1834 10.0440 10.0440 10.5171 10.5171 11.4346 11.4346 12.4429 12.4429 12.9871 12.9871 14.2177 14.2177 14.8392 14.8392 15.7845 15.7845 16.5527 16.5527 17.5043 17.5043 17.7661 17.7661 k = 0.0867-0.3545 0.0000 ( 1707 PWs) bands (ev): -0.8897 -0.8897 1.4366 1.4366 3.2000 3.2000 6.5644 6.5644 6.7845 6.7845 8.0210 8.0210 8.1862 8.1862 8.6334 8.6334 8.7766 8.7766 9.1765 9.1765 10.0648 10.0648 10.5604 10.5604 11.4278 11.4278 12.4407 12.4407 12.9834 12.9834 14.1917 14.1917 14.8211 14.8211 15.7914 15.7914 16.5987 16.5987 17.5085 17.5085 17.7657 17.7657 k = 0.0822-0.3359 0.0000 ( 1707 PWs) bands (ev): -0.9406 -0.9406 1.4239 1.4239 3.1658 3.1658 6.5591 6.5591 6.7973 6.7973 8.0301 8.0301 8.2253 8.2253 8.6382 8.6382 8.7839 8.7839 9.1698 9.1698 10.0884 10.0884 10.6065 10.6065 11.4212 11.4212 12.4349 12.4349 12.9798 12.9798 14.1648 14.1648 14.7971 14.7971 15.7982 15.7982 16.6520 16.6520 17.5111 17.5111 17.7645 17.7645 k = 0.0776-0.3172 0.0000 ( 1707 PWs) bands (ev): -0.9890 -0.9890 1.4117 1.4117 3.1325 3.1325 6.5524 6.5524 6.8073 6.8073 8.0317 8.0317 8.2690 8.2690 8.6450 8.6450 8.7943 8.7943 9.1635 9.1635 10.1144 10.1144 10.6550 10.6550 11.4148 11.4148 12.4253 12.4253 12.9764 12.9764 14.1371 14.1371 14.7676 14.7676 15.8054 15.8054 16.7121 16.7121 17.5121 17.5121 17.7626 17.7626 k = 0.0730-0.2985 0.0000 ( 1705 PWs) bands (ev): -1.0348 -1.0348 1.4001 1.4001 3.1003 3.1003 6.5445 6.5445 6.8147 6.8147 8.0282 8.0282 8.3146 8.3146 8.6538 8.6538 8.8077 8.8077 9.1573 9.1573 10.1422 10.1422 10.7056 10.7056 11.4086 11.4086 12.4116 12.4116 12.9733 12.9733 14.1089 14.1089 14.7336 14.7336 15.8130 15.8130 16.7784 16.7784 17.5117 17.5117 17.7603 17.7603 k = 0.0685-0.2799 0.0000 ( 1705 PWs) bands (ev): -1.0780 -1.0780 1.3890 1.3890 3.0692 3.0692 6.5357 6.5357 6.8196 6.8196 8.0211 8.0211 8.3600 8.3600 8.6647 8.6647 8.8242 8.8242 9.1514 9.1514 10.1713 10.1713 10.7577 10.7577 11.4028 11.4028 12.3937 12.3937 12.9703 12.9703 14.0804 14.0804 14.6959 14.6959 15.8212 15.8212 16.8501 16.8501 17.5100 17.5100 17.7577 17.7577 k = 0.0639-0.2612 0.0000 ( 1709 PWs) bands (ev): -1.1186 -1.1186 1.3785 1.3785 3.0395 3.0395 6.5261 6.5261 6.8224 6.8224 8.0118 8.0118 8.4032 8.4032 8.6784 8.6784 8.8436 8.8436 9.1460 9.1460 10.2010 10.2010 10.8111 10.8111 11.3975 11.3975 12.3716 12.3716 12.9674 12.9674 14.0518 14.0518 14.6554 14.6554 15.8299 15.8299 16.9260 16.9260 17.5073 17.5073 17.7550 17.7550 k = 0.0593-0.2426 0.0000 ( 1707 PWs) bands (ev): -1.1566 -1.1566 1.3686 1.3686 3.0113 3.0113 6.5160 6.5160 6.8233 6.8233 8.0011 8.0011 8.4424 8.4424 8.6957 8.6957 8.8655 8.8655 9.1410 9.1410 10.2308 10.2308 10.8653 10.8653 11.3929 11.3929 12.3453 12.3453 12.9648 12.9648 14.0234 14.0234 14.6133 14.6133 15.8395 15.8395 17.0053 17.0053 17.5039 17.5039 17.7522 17.7522 k = 0.0548-0.2239 0.0000 ( 1705 PWs) bands (ev): -1.1918 -1.1918 1.3593 1.3593 2.9847 2.9847 6.5058 6.5058 6.8227 6.8227 7.9899 7.9899 8.4757 8.4757 8.7174 8.7174 8.8892 8.8892 9.1368 9.1368 10.2599 10.2599 10.9197 10.9197 11.3894 11.3894 12.3149 12.3149 12.9623 12.9623 13.9954 13.9954 14.5701 14.5701 15.8496 15.8496 17.0862 17.0862 17.5007 17.5007 17.7495 17.7495 k = 0.0502-0.2052 0.0000 ( 1707 PWs) bands (ev): -1.2244 -1.2244 1.3506 1.3506 2.9598 2.9598 6.4953 6.4953 6.8209 6.8209 7.9785 7.9785 8.5021 8.5021 8.7439 8.7439 8.9141 8.9141 9.1336 9.1336 10.2879 10.2879 10.9740 10.9740 11.3874 11.3874 12.2805 12.2805 12.9599 12.9599 13.9682 13.9682 14.5269 14.5269 15.8601 15.8601 17.1670 17.1670 17.4983 17.4983 17.7472 17.7472 k = 0.0456-0.1866 0.0000 ( 1705 PWs) bands (ev): -1.2542 -1.2542 1.3427 1.3427 2.9367 2.9367 6.4849 6.4849 6.8182 6.8182 7.9674 7.9674 8.5217 8.5217 8.7744 8.7744 8.9394 8.9394 9.1316 9.1316 10.3141 10.3141 11.0274 11.0274 11.3875 11.3875 12.2426 12.2426 12.9576 12.9576 13.9419 13.9419 14.4845 14.4845 15.8710 15.8710 17.2449 17.2449 17.4980 17.4980 17.7460 17.7460 k = 0.0411-0.1679 0.0000 ( 1701 PWs) bands (ev): -1.2812 -1.2812 1.3354 1.3354 2.9156 2.9156 6.4749 6.4749 6.8149 6.8149 7.9568 7.9568 8.5356 8.5356 8.8072 8.8072 8.9642 8.9642 9.1313 9.1313 10.3383 10.3383 11.0791 11.0791 11.3907 11.3907 12.2014 12.2014 12.9555 12.9555 13.9168 13.9168 14.4437 14.4437 15.8821 15.8821 17.3153 17.3153 17.5025 17.5025 17.7468 17.7468 k = 0.0365-0.1493 0.0000 ( 1705 PWs) bands (ev): -1.3054 -1.3054 1.3289 1.3289 2.8964 2.8964 6.4654 6.4654 6.8112 6.8112 7.9470 7.9470 8.5450 8.5450 8.8403 8.8403 8.9874 8.9874 9.1331 9.1331 10.3598 10.3598 11.1276 11.1276 11.3978 11.3978 12.1572 12.1572 12.9534 12.9534 13.8933 13.8933 14.4051 14.4051 15.8929 15.8929 17.3706 17.3706 17.5163 17.5163 17.7511 17.7511 k = 0.0319-0.1306 0.0000 ( 1707 PWs) bands (ev): -1.3269 -1.3269 1.3230 1.3230 2.8794 2.8794 6.4566 6.4566 6.8073 6.8073 7.9380 7.9380 8.5514 8.5514 8.8719 8.8719 9.0081 9.0081 9.1375 9.1375 10.3786 10.3786 11.1712 11.1712 11.4108 11.4108 12.1106 12.1106 12.9515 12.9515 13.8716 13.8716 14.3694 14.3694 15.9034 15.9034 17.4038 17.4038 17.5427 17.5427 17.7614 17.7614 k = 0.0274-0.1120 0.0000 ( 1707 PWs) bands (ev): -1.3455 -1.3455 1.3180 1.3180 2.8644 2.8644 6.4486 6.4486 6.8036 6.8036 7.9302 7.9302 8.5556 8.5556 8.9004 8.9004 9.0254 9.0254 9.1448 9.1448 10.3946 10.3946 11.2078 11.2078 11.4313 11.4313 12.0619 12.0619 12.9497 12.9497 13.8520 13.8520 14.3372 14.3372 15.9133 15.9133 17.4186 17.4186 17.5738 17.5738 17.7805 17.7805 k = 0.0228-0.0933 0.0000 ( 1707 PWs) bands (ev): -1.3612 -1.3612 1.3136 1.3136 2.8517 2.8517 6.4417 6.4417 6.8002 6.8002 7.9234 7.9234 8.5584 8.5584 8.9250 8.9250 9.0390 9.0390 9.1546 9.1546 10.4076 10.4076 11.2359 11.2359 11.4603 11.4603 12.0119 12.0119 12.9482 12.9482 13.8350 13.8350 14.3090 14.3090 15.9222 15.9222 17.4241 17.4241 17.5983 17.5983 17.8084 17.8084 k = 0.0183-0.0746 0.0000 ( 1709 PWs) bands (ev): -1.3742 -1.3742 1.3101 1.3101 2.8412 2.8412 6.4358 6.4358 6.7971 6.7971 7.9177 7.9177 8.5602 8.5602 8.9449 8.9449 9.0493 9.0493 9.1657 9.1657 10.4178 10.4178 11.2558 11.2558 11.4968 11.4968 11.9613 11.9613 12.9468 12.9468 13.8206 13.8206 14.2853 14.2853 15.9298 15.9298 17.4259 17.4259 17.6132 17.6132 17.8410 17.8410 k = 0.0137-0.0560 0.0000 ( 1713 PWs) bands (ev): -1.3842 -1.3842 1.3073 1.3073 2.8330 2.8330 6.4311 6.4311 6.7946 6.7946 7.9133 7.9133 8.5613 8.5613 8.9600 8.9600 9.0569 9.0569 9.1764 9.1764 10.4254 10.4254 11.2689 11.2689 11.5381 11.5381 11.9113 11.9113 12.9457 12.9457 13.8091 13.8091 14.2664 14.2664 15.9360 15.9360 17.4261 17.4261 17.6212 17.6212 17.8722 17.8722 k = 0.0091-0.0373 0.0000 ( 1705 PWs) bands (ev): -1.3914 -1.3914 1.3053 1.3053 2.8272 2.8272 6.4278 6.4278 6.7928 6.7928 7.9101 7.9101 8.5620 8.5620 8.9704 8.9704 9.0623 9.0623 9.1853 9.1853 10.4308 10.4308 11.2772 11.2772 11.5801 11.5801 11.8646 11.8646 12.9449 12.9449 13.8009 13.8009 14.2527 14.2527 15.9407 15.9407 17.4260 17.4260 17.6253 17.6253 17.8972 17.8972 k = 0.0046-0.0187 0.0000 ( 1707 PWs) bands (ev): -1.3957 -1.3957 1.3041 1.3041 2.8236 2.8236 6.4257 6.4257 6.7917 6.7917 7.9082 7.9082 8.5624 8.5624 8.9764 8.9764 9.0655 9.0655 9.1911 9.1911 10.4338 10.4338 11.2817 11.2817 11.6157 11.6157 11.8265 11.8265 12.9444 12.9444 13.7958 13.7958 14.2445 14.2445 15.9434 15.9434 17.4257 17.4257 17.6271 17.6271 17.9130 17.9130 k = 0.0000 0.0000 0.0000 ( 1703 PWs) bands (ev): -1.3972 -1.3972 1.3037 1.3037 2.8224 2.8224 6.4250 6.4250 6.7913 6.7913 7.9076 7.9076 8.5625 8.5625 8.9784 8.9784 9.0666 9.0666 9.1931 9.1931 10.4348 10.4348 11.2832 11.2832 11.6312 11.6312 11.8103 11.8103 12.9443 12.9443 13.7941 13.7941 14.2417 14.2417 15.9444 15.9444 17.4256 17.4256 17.6276 17.6276 17.9184 17.9184 k = 0.0000 0.0000 0.0000 ( 1703 PWs) bands (ev): -1.3972 -1.3972 1.3037 1.3037 2.8224 2.8224 6.4250 6.4250 6.7913 6.7913 7.9076 7.9076 8.5625 8.5625 8.9784 8.9784 9.0666 9.0666 9.1931 9.1931 10.4348 10.4348 11.2832 11.2832 11.6312 11.6312 11.8103 11.8103 12.9443 12.9443 13.7941 13.7941 14.2417 14.2417 15.9444 15.9444 17.4256 17.4256 17.6276 17.6276 17.9184 17.9184 k = 0.0082-0.0158-0.0073 ( 1706 PWs) bands (ev): -1.3957 -1.3957 1.3039 1.3039 2.8237 2.8237 6.4250 6.4250 6.7914 6.7914 7.9079 7.9079 8.5627 8.5627 8.9767 8.9767 9.0654 9.0654 9.1917 9.1917 10.4344 10.4344 11.2819 11.2819 11.6181 11.6181 11.8239 11.8239 12.9441 12.9441 13.7959 13.7959 14.2447 14.2447 15.9433 15.9433 17.4253 17.4253 17.6271 17.6271 17.9144 17.9144 k = 0.0164-0.0315-0.0147 ( 1707 PWs) bands (ev): -1.3914 -1.3914 1.3046 1.3046 2.8274 2.8274 6.4251 6.4251 6.7919 6.7919 7.9090 7.9090 8.5633 8.5633 8.9716 8.9716 9.0621 9.0621 9.1877 9.1877 10.4332 10.4332 11.2781 11.2781 11.5873 11.5873 11.8567 11.8567 12.9436 12.9436 13.8011 13.8011 14.2536 14.2536 15.9400 15.9400 17.4244 17.4244 17.6254 17.6254 17.9024 17.9024 k = 0.0246-0.0473-0.0220 ( 1708 PWs) bands (ev): -1.3842 -1.3842 1.3056 1.3056 2.8337 2.8337 6.4251 6.4251 6.7926 6.7926 7.9107 7.9107 8.5642 8.5642 8.9631 8.9631 9.0567 9.0567 9.1812 9.1812 10.4310 10.4310 11.2714 11.2714 11.5500 11.5500 11.8977 11.8977 12.9429 12.9429 13.8096 13.8096 14.2682 14.2682 15.9347 15.9347 17.4229 17.4229 17.6220 17.6220 17.8832 17.8832 k = 0.0328-0.0630-0.0294 ( 1710 PWs) bands (ev): -1.3742 -1.3742 1.3071 1.3071 2.8423 2.8423 6.4250 6.4250 6.7936 6.7936 7.9131 7.9131 8.5653 8.5653 8.9510 8.9510 9.0494 9.0494 9.1727 9.1727 10.4277 10.4277 11.2612 11.2612 11.5122 11.5122 11.9416 11.9416 12.9420 12.9420 13.8214 13.8214 14.2884 14.2884 15.9274 15.9274 17.4204 17.4204 17.6154 17.6154 17.8583 17.8583 k = 0.0410-0.0788-0.0367 ( 1707 PWs) bands (ev): -1.3612 -1.3612 1.3089 1.3089 2.8534 2.8534 6.4246 6.4246 6.7950 6.7950 7.9163 7.9163 8.5664 8.5664 8.9353 8.9353 9.0403 9.0403 9.1629 9.1629 10.4231 10.4231 11.2468 11.2468 11.4773 11.4773 11.9857 11.9857 12.9410 12.9410 13.8364 13.8364 14.3138 14.3138 15.9183 15.9183 17.4167 17.4167 17.6038 17.6038 17.8303 17.8303 k = 0.0492-0.0945-0.0441 ( 1706 PWs) bands (ev): -1.3455 -1.3455 1.3113 1.3113 2.8669 2.8669 6.4238 6.4238 6.7968 6.7968 7.9200 7.9200 8.5672 8.5672 8.9164 8.9164 9.0293 9.0293 9.1527 9.1527 10.4168 10.4168 11.2272 11.2272 11.4475 11.4475 12.0288 12.0288 12.9400 12.9400 13.8542 13.8542 14.3440 14.3440 15.9076 15.9076 17.4111 17.4111 17.5842 17.5842 17.8034 17.8034 k = 0.0574-0.1103-0.0514 ( 1706 PWs) bands (ev): -1.3268 -1.3268 1.3141 1.3141 2.8826 2.8826 6.4223 6.4223 6.7989 6.7989 7.9244 7.9244 8.5673 8.5673 8.8943 8.8943 9.0161 9.0161 9.1430 9.1430 10.4087 10.4087 11.2020 11.2020 11.4240 11.4240 12.0699 12.0699 12.9393 12.9393 13.8747 13.8747 14.3786 14.3786 15.8955 15.8955 17.4020 17.4020 17.5548 17.5548 17.7818 17.7818 k = 0.0656-0.1260-0.0588 ( 1706 PWs) bands (ev): -1.3054 -1.3054 1.3173 1.3173 2.9006 2.9006 6.4200 6.4200 6.8015 6.8015 7.9292 7.9292 8.5661 8.5661 8.8696 8.8696 9.0009 9.0009 9.1348 9.1348 10.3984 10.3984 11.1718 11.1718 11.4069 11.4069 12.1084 12.1084 12.9389 12.9389 13.8976 13.8976 14.4170 14.4170 15.8824 15.8824 17.3858 17.3858 17.5179 17.5179 17.7675 17.7675 k = 0.0738-0.1418-0.0661 ( 1707 PWs) bands (ev): -1.2811 -1.2811 1.3210 1.3210 2.9207 2.9207 6.4166 6.4166 6.8045 6.8045 7.9346 7.9346 8.5629 8.5629 8.8429 8.8429 8.9841 8.9841 9.1287 9.1287 10.3859 10.3859 11.1378 11.1378 11.3953 11.3953 12.1437 12.1437 12.9390 12.9390 13.9226 13.9226 14.4587 14.4587 15.8684 15.8684 17.3556 17.3556 17.4825 17.4825 17.7600 17.7600 k = 0.0820-0.1575-0.0735 ( 1707 PWs) bands (ev): -1.2540 -1.2540 1.3253 1.3253 2.9428 2.9428 6.4118 6.4118 6.8080 6.8080 7.9403 7.9403 8.5569 8.5569 8.8149 8.8149 8.9666 8.9666 9.1249 9.1249 10.3710 10.3710 11.1011 11.1011 11.3883 11.3883 12.1755 12.1755 12.9397 12.9397 13.9494 13.9494 14.5029 14.5029 15.8540 15.8540 17.3057 17.3057 17.4572 17.4572 17.7574 17.7574 k = 0.0902-0.1733-0.0808 ( 1711 PWs) bands (ev): -1.2242 -1.2242 1.3300 1.3300 2.9669 2.9669 6.4055 6.4055 6.8120 6.8120 7.9463 7.9463 8.5464 8.5464 8.7868 8.7868 8.9496 8.9496 9.1233 9.1233 10.3539 10.3539 11.0630 11.0630 11.3845 11.3845 12.2035 12.2035 12.9409 12.9409 13.9776 13.9776 14.5492 14.5492 15.8394 15.8394 17.2396 17.2396 17.4412 17.4412 17.7580 17.7580 k = 0.0984-0.1890-0.0882 ( 1711 PWs) bands (ev): -1.1916 -1.1916 1.3352 1.3352 2.9928 2.9928 6.3973 6.3973 6.8166 6.8166 7.9522 7.9522 8.5301 8.5301 8.7603 8.7603 8.9343 8.9343 9.1239 9.1239 10.3345 10.3345 11.0243 11.0243 11.3834 11.3834 12.2276 12.2276 12.9426 12.9426 14.0071 14.0071 14.5967 14.5967 15.8250 15.8250 17.1641 17.1641 17.4298 17.4298 17.7607 17.7607 k = 0.1066-0.2048-0.0955 ( 1708 PWs) bands (ev): -1.1563 -1.1563 1.3410 1.3410 3.0204 3.0204 6.3872 6.3872 6.8216 6.8216 7.9580 7.9580 8.5063 8.5063 8.7373 8.7373 8.9215 8.9215 9.1265 9.1265 10.3133 10.3133 10.9855 10.9855 11.3841 11.3841 12.2477 12.2477 12.9447 12.9447 14.0375 14.0375 14.6449 14.6449 15.8110 15.8110 17.0837 17.0837 17.4204 17.4204 17.7645 17.7645 k = 0.1148-0.2205-0.1029 ( 1705 PWs) bands (ev): -1.1182 -1.1182 1.3474 1.3474 3.0496 3.0496 6.3751 6.3751 6.8269 6.8269 7.9632 7.9632 8.4741 8.4741 8.7194 8.7194 8.9118 8.9118 9.1308 9.1308 10.2904 10.2904 10.9468 10.9468 11.3861 11.3861 12.2641 12.2641 12.9470 12.9470 14.0684 14.0684 14.6931 14.6931 15.7976 15.7976 17.0009 17.0009 17.4114 17.4114 17.7690 17.7690 k = 0.1230-0.2363-0.1102 ( 1704 PWs) bands (ev): -1.0775 -1.0775 1.3543 1.3543 3.0803 3.0803 6.3607 6.3607 6.8325 6.8325 7.9676 7.9676 8.4340 8.4340 8.7069 8.7069 8.9054 8.9054 9.1368 9.1368 10.2663 10.2663 10.9084 10.9084 11.3889 11.3889 12.2768 12.2768 12.9491 12.9491 14.0995 14.0995 14.7404 14.7404 15.7851 15.7851 16.9174 16.9174 17.4023 17.4023 17.7736 17.7736 k = 0.1311-0.2520-0.1176 ( 1706 PWs) bands (ev): -1.0341 -1.0341 1.3617 1.3617 3.1122 3.1122 6.3441 6.3441 6.8381 6.8381 7.9708 7.9708 8.3873 8.3873 8.6996 8.6996 8.9023 8.9023 9.1443 9.1443 10.2413 10.2413 10.8703 10.8703 11.3922 11.3922 12.2862 12.2862 12.9507 12.9507 14.1305 14.1305 14.7862 14.7862 15.7734 15.7734 16.8343 16.8343 17.3927 17.3927 17.7781 17.7781 k = 0.1393-0.2678-0.1249 ( 1704 PWs) bands (ev): -0.9882 -0.9882 1.3697 1.3697 3.1451 3.1451 6.3254 6.3254 6.8437 6.8437 7.9721 7.9721 8.3362 8.3362 8.6970 8.6970 8.9024 8.9024 9.1532 9.1532 10.2160 10.2160 10.8325 10.8325 11.3955 11.3955 12.2929 12.2929 12.9513 12.9513 14.1610 14.1610 14.8299 14.8299 15.7628 15.7628 16.7526 16.7526 17.3826 17.3826 17.7823 17.7823 k = 0.1475-0.2835-0.1323 ( 1703 PWs) bands (ev): -0.9396 -0.9396 1.3783 1.3783 3.1791 3.1791 6.3045 6.3045 6.8489 6.8489 7.9706 7.9706 8.2826 8.2826 8.6982 8.6982 8.9058 8.9058 9.1633 9.1633 10.1909 10.1909 10.7951 10.7951 11.3985 11.3985 12.2973 12.2973 12.9507 12.9507 14.1908 14.1908 14.8708 14.8708 15.7528 15.7528 16.6731 16.6731 17.3719 17.3719 17.7859 17.7859 k = 0.1557-0.2993-0.1396 ( 1704 PWs) bands (ev): -0.8885 -0.8885 1.3874 1.3874 3.2137 3.2137 6.2816 6.2816 6.8536 6.8536 7.9650 7.9650 8.2292 8.2292 8.7028 8.7028 8.9121 8.9121 9.1744 9.1744 10.1665 10.1665 10.7579 10.7579 11.4008 11.4008 12.2999 12.2999 12.9485 12.9485 14.2193 14.2193 14.9085 14.9085 15.7434 15.7434 16.5965 16.5965 17.3604 17.3604 17.7887 17.7887 k = 0.1639-0.3151-0.1470 ( 1703 PWs) bands (ev): -0.8348 -0.8348 1.3971 1.3971 3.2489 3.2489 6.2570 6.2570 6.8574 6.8574 7.9529 7.9529 8.1792 8.1792 8.7102 8.7102 8.9214 8.9214 9.1865 9.1865 10.1433 10.1433 10.7209 10.7209 11.4023 11.4023 12.3012 12.3012 12.9446 12.9446 14.2463 14.2463 14.9424 14.9424 15.7342 15.7342 16.5235 16.5235 17.3483 17.3483 17.7908 17.7908 k = 0.1721-0.3308-0.1543 ( 1706 PWs) bands (ev): -0.7787 -0.7787 1.4073 1.4073 3.2845 3.2845 6.2307 6.2307 6.8602 6.8602 7.9309 7.9309 8.1366 8.1366 8.7196 8.7196 8.9339 8.9339 9.1994 9.1994 10.1218 10.1218 10.6842 10.6842 11.4028 11.4028 12.3015 12.3015 12.9386 12.9386 14.2711 14.2711 14.9723 14.9723 15.7247 15.7247 16.4545 16.4545 17.3356 17.3356 17.7921 17.7921 k = 0.1803-0.3466-0.1617 ( 1706 PWs) bands (ev): -0.7202 -0.7202 1.4181 1.4181 3.3201 3.3201 6.2030 6.2030 6.8617 6.8617 7.8966 7.8966 8.1048 8.1048 8.7305 8.7305 8.9497 8.9497 9.2129 9.2129 10.1024 10.1024 10.6477 10.6477 11.4020 11.4020 12.3012 12.3012 12.9308 12.9308 14.2932 14.2932 14.9981 14.9981 15.7145 15.7145 16.3901 16.3901 17.3225 17.3225 17.7928 17.7928 k = 0.1885-0.3623-0.1690 ( 1708 PWs) bands (ev): -0.6593 -0.6593 1.4295 1.4295 3.3555 3.3555 6.1741 6.1741 6.8617 6.8617 7.8506 7.8506 8.0836 8.0836 8.7419 8.7419 8.9691 8.9691 9.2271 9.2271 10.0855 10.0855 10.6116 10.6116 11.4001 11.4001 12.3006 12.3006 12.9211 12.9211 14.3120 14.3120 15.0199 15.0199 15.7028 15.7028 16.3305 16.3305 17.3091 17.3091 17.7931 17.7931 k = 0.1967-0.3781-0.1764 ( 1709 PWs) bands (ev): -0.5960 -0.5960 1.4413 1.4413 3.3906 3.3906 6.1442 6.1442 6.8600 6.8600 7.7965 7.7965 8.0699 8.0699 8.7532 8.7532 8.9922 8.9922 9.2419 9.2419 10.0715 10.0715 10.5760 10.5760 11.3970 11.3970 12.2998 12.2998 12.9097 12.9097 14.3268 14.3268 15.0379 15.0379 15.6893 15.6893 16.2761 16.2761 17.2955 17.2955 17.7933 17.7933 k = 0.2049-0.3938-0.1837 ( 1710 PWs) bands (ev): -0.5305 -0.5305 1.4536 1.4536 3.4250 3.4250 6.1135 6.1135 6.8565 6.8565 7.7381 7.7381 8.0606 8.0606 8.7636 8.7636 9.0190 9.0190 9.2572 9.2572 10.0605 10.0605 10.5409 10.5409 11.3929 11.3929 12.2988 12.2988 12.8970 12.8970 14.3369 14.3369 15.0525 15.0525 15.6736 15.6736 16.2266 16.2266 17.2820 17.2820 17.7938 17.7938 k = 0.2131-0.4096-0.1911 ( 1708 PWs) bands (ev): -0.4627 -0.4627 1.4665 1.4665 3.4585 3.4585 6.0823 6.0823 6.8510 6.8510 7.6778 7.6778 8.0536 8.0536 8.7727 8.7727 9.0494 9.0494 9.2734 9.2734 10.0525 10.0525 10.5067 10.5067 11.3880 11.3880 12.2975 12.2975 12.8833 12.8833 14.3415 14.3415 15.0644 15.0644 15.6555 15.6555 16.1821 16.1821 17.2685 17.2685 17.7951 17.7951 k = 0.2213-0.4253-0.1984 ( 1710 PWs) bands (ev): -0.3927 -0.3927 1.4797 1.4797 3.4908 3.4908 6.0506 6.0506 6.8434 6.8434 7.6172 7.6172 8.0474 8.0474 8.7803 8.7803 9.0826 9.0826 9.2906 9.2906 10.0475 10.0475 10.4736 10.4736 11.3826 11.3826 12.2958 12.2958 12.8690 12.8690 14.3400 14.3400 15.0741 15.0741 15.6353 15.6353 16.1418 16.1418 17.2553 17.2553 17.7976 17.7976 k = 0.2295-0.4411-0.2058 ( 1710 PWs) bands (ev): -0.3206 -0.3206 1.4934 1.4934 3.5216 3.5216 6.0187 6.0187 6.8336 6.8336 7.5576 7.5576 8.0414 8.0414 8.7862 8.7862 9.1177 9.1177 9.3094 9.3094 10.0452 10.0452 10.4421 10.4421 11.3772 11.3772 12.2935 12.2935 12.8547 12.8547 14.3319 14.3319 15.0817 15.0817 15.6134 15.6134 16.1053 16.1053 17.2424 17.2424 17.8016 17.8016 k = 0.2377-0.4568-0.2131 ( 1711 PWs) bands (ev): -0.2464 -0.2464 1.5074 1.5074 3.5506 3.5506 5.9866 5.9866 6.8216 6.8216 7.4999 7.4999 8.0350 8.0350 8.7907 8.7907 9.1535 9.1535 9.3306 9.3306 10.0452 10.0452 10.4126 10.4126 11.3720 11.3720 12.2904 12.2904 12.8406 12.8406 14.3170 14.3170 15.0875 15.0875 15.5908 15.5908 16.0717 16.0717 17.2298 17.2298 17.8074 17.8074 k = 0.2459-0.4726-0.2205 ( 1714 PWs) bands (ev): -0.1702 -0.1702 1.5219 1.5219 3.5775 3.5775 5.9544 5.9544 6.8074 6.8074 7.4447 7.4447 8.0278 8.0278 8.7939 8.7939 9.1881 9.1881 9.3552 9.3552 10.0468 10.0468 10.3858 10.3858 11.3675 11.3675 12.2861 12.2861 12.8274 12.8274 14.2953 14.2953 15.0909 15.0909 15.5689 15.5689 16.0402 16.0402 17.2176 17.2176 17.8154 17.8154 k = 0.2541-0.4883-0.2278 ( 1715 PWs) bands (ev): -0.0921 -0.0921 1.5366 1.5366 3.6022 3.6022 5.9221 5.9221 6.7910 6.7910 7.3927 7.3927 8.0195 8.0195 8.7959 8.7959 9.2198 9.2198 9.3847 9.3847 10.0492 10.0492 10.3624 10.3624 11.3643 11.3643 12.2807 12.2807 12.8155 12.8155 14.2673 14.2673 15.0909 15.0909 15.5492 15.5492 16.0101 16.0101 17.2056 17.2056 17.8255 17.8255 k = 0.2623-0.5041-0.2352 ( 1714 PWs) bands (ev): -0.0121 -0.0121 1.5516 1.5516 3.6242 3.6242 5.8895 5.8895 6.7726 6.7726 7.3443 7.3443 8.0099 8.0099 8.7968 8.7968 9.2471 9.2471 9.4197 9.4197 10.0515 10.0515 10.3433 10.3433 11.3626 11.3626 12.2741 12.2741 12.8050 12.8050 14.2332 14.2332 15.0865 15.0865 15.5336 15.5336 15.9809 15.9809 17.1939 17.1939 17.8378 17.8378 k = 0.2705-0.5198-0.2425 ( 1708 PWs) bands (ev): 0.0698 0.0698 1.5669 1.5669 3.6434 3.6434 5.8567 5.8567 6.7525 6.7525 7.2999 7.2999 7.9988 7.9988 8.7970 8.7970 9.2698 9.2698 9.4599 9.4599 10.0527 10.0527 10.3294 10.3294 11.3628 11.3628 12.2665 12.2665 12.7961 12.7961 14.1939 14.1939 15.0763 15.0763 15.5236 15.5236 15.9522 15.9522 17.1824 17.1824 17.8523 17.8523 k = 0.2787-0.5356-0.2499 ( 1708 PWs) bands (ev): 0.1533 0.1533 1.5824 1.5824 3.6595 3.6595 5.8233 5.8233 6.7308 6.7308 7.2599 7.2599 7.9862 7.9862 8.7963 8.7963 9.2883 9.2883 9.5040 9.5040 10.0521 10.0521 10.3212 10.3212 11.3651 11.3651 12.2582 12.2582 12.7889 12.7889 14.1499 14.1499 15.0597 15.0597 15.5200 15.5200 15.9237 15.9237 17.1710 17.1710 17.8685 17.8685 k = 0.2869-0.5513-0.2572 ( 1707 PWs) bands (ev): 0.2385 0.2385 1.5981 1.5981 3.6724 3.6724 5.7892 5.7892 6.7081 6.7081 7.2245 7.2245 7.9721 7.9721 8.7948 8.7948 9.3037 9.3037 9.5506 9.5506 10.0495 10.0495 10.3190 10.3190 11.3697 11.3697 12.2498 12.2498 12.7832 12.7832 14.1021 14.1021 15.0368 15.0368 15.5227 15.5227 15.8956 15.8956 17.1598 17.1598 17.8864 17.8864 k = 0.2951-0.5671-0.2646 ( 1706 PWs) bands (ev): 0.3253 0.3253 1.6138 1.6138 3.6819 3.6819 5.7541 5.7541 6.6848 6.6848 7.1936 7.1936 7.9565 7.9565 8.7924 8.7924 9.3167 9.3167 9.5979 9.5979 10.0453 10.0453 10.3225 10.3225 11.3766 11.3766 12.2421 12.2421 12.7788 12.7788 14.0511 14.0511 15.0084 15.0084 15.5305 15.5305 15.8682 15.8682 17.1487 17.1487 17.9054 17.9054 k = 0.3033-0.5828-0.2719 ( 1707 PWs) bands (ev): 0.4136 0.4136 1.6296 1.6296 3.6878 3.6878 5.7178 5.7178 6.6614 6.6614 7.1675 7.1675 7.9395 7.9395 8.7892 8.7892 9.3279 9.3279 9.6446 9.6446 10.0402 10.0402 10.3310 10.3310 11.3855 11.3855 12.2359 12.2359 12.7753 12.7753 13.9975 13.9975 14.9758 14.9758 15.5416 15.5416 15.8424 15.8424 17.1377 17.1377 17.9251 17.9251 k = 0.3115-0.5986-0.2793 ( 1708 PWs) bands (ev): 0.5033 0.5033 1.6454 1.6454 3.6900 3.6900 5.6801 5.6801 6.6383 6.6383 7.1460 7.1460 7.9212 7.9212 8.7850 8.7850 9.3377 9.3377 9.6893 9.6893 10.0352 10.0352 10.3439 10.3439 11.3961 11.3961 12.2321 12.2321 12.7725 12.7725 13.9421 13.9421 14.9403 14.9403 15.5532 15.5532 15.8195 15.8195 17.1267 17.1267 17.9449 17.9449 k = 0.3197-0.6144-0.2866 ( 1710 PWs) bands (ev): 0.5943 0.5943 1.6612 1.6612 3.6885 3.6885 5.6407 5.6407 6.6160 6.6160 7.1291 7.1291 7.9019 7.9019 8.7797 8.7797 9.3466 9.3466 9.7308 9.7308 10.0314 10.0314 10.3604 10.3604 11.4081 11.4081 12.2318 12.2318 12.7700 12.7700 13.8853 13.8853 14.9031 14.9031 15.5624 15.5624 15.8018 15.8018 17.1158 17.1158 17.9642 17.9642 k = 0.3279-0.6301-0.2940 ( 1707 PWs) bands (ev): 0.6866 0.6866 1.6769 1.6769 3.6833 3.6833 5.5997 5.5997 6.5947 6.5947 7.1168 7.1168 7.8817 7.8817 8.7733 8.7733 9.3548 9.3548 9.7681 9.7681 10.0297 10.0297 10.3798 10.3798 11.4210 11.4210 12.2356 12.2356 12.7677 12.7677 13.8279 13.8279 14.8652 14.8652 15.5654 15.5654 15.7920 15.7920 17.1051 17.1051 17.9820 17.9820 k = 0.3361-0.6459-0.3013 ( 1707 PWs) bands (ev): 0.7799 0.7799 1.6924 1.6924 3.6742 3.6742 5.5569 5.5569 6.5746 6.5746 7.1089 7.1089 7.8608 7.8608 8.7656 8.7656 9.3625 9.3625 9.8003 9.8003 10.0306 10.0306 10.4017 10.4017 11.4344 11.4344 12.2440 12.2440 12.7654 12.7654 13.7704 13.7704 14.8273 14.8273 15.5598 15.5598 15.7920 15.7920 17.0943 17.0943 17.9970 17.9970 k = 0.3443-0.6616-0.3087 ( 1707 PWs) bands (ev): 0.8742 0.8742 1.7077 1.7077 3.6614 3.6614 5.5126 5.5126 6.5556 6.5556 7.1053 7.1053 7.8396 7.8396 8.7566 8.7566 9.3699 9.3699 9.8267 9.8267 10.0346 10.0346 10.4255 10.4255 11.4481 11.4481 12.2571 12.2571 12.7634 12.7634 13.7134 13.7134 14.7899 14.7899 15.5453 15.5453 15.8013 15.8013 17.0836 17.0836 18.0069 18.0069 k = 0.3525-0.6774-0.3160 ( 1707 PWs) bands (ev): 0.9694 0.9694 1.7228 1.7228 3.6447 3.6447 5.4668 5.4668 6.5378 6.5378 7.1060 7.1060 7.8181 7.8181 8.7462 8.7462 9.3771 9.3771 9.8475 9.8475 10.0413 10.0413 10.4504 10.4504 11.4621 11.4621 12.2744 12.2744 12.7620 12.7620 13.6575 13.6575 14.7535 14.7535 15.5240 15.5240 15.8177 15.8177 17.0730 17.0730 18.0082 18.0082 k = 0.3607-0.6931-0.3234 ( 1709 PWs) bands (ev): 1.0653 1.0653 1.7377 1.7377 3.6244 3.6244 5.4200 5.4200 6.5209 6.5209 7.1108 7.1108 7.7966 7.7966 8.7345 8.7345 9.3844 9.3844 9.8632 9.8632 10.0505 10.0505 10.4755 10.4755 11.4768 11.4768 12.2946 12.2946 12.7621 12.7621 13.6032 13.6032 14.7184 14.7184 15.4980 15.4980 15.8386 15.8386 17.0622 17.0622 17.9961 17.9961 k = 0.3689-0.7089-0.3307 ( 1707 PWs) bands (ev): 1.1618 1.1618 1.7522 1.7522 3.6002 3.6002 5.3724 5.3724 6.5050 6.5050 7.1193 7.1193 7.7754 7.7754 8.7215 8.7215 9.3918 9.3918 9.8749 9.8749 10.0612 10.0612 10.4999 10.4999 11.4926 11.4926 12.3160 12.3160 12.7650 12.7650 13.5512 13.5512 14.6847 14.6847 15.4692 15.4692 15.8618 15.8618 17.0514 17.0514 17.9694 17.9694 k = 0.3770-0.7246-0.3381 ( 1711 PWs) bands (ev): 1.2587 1.2587 1.7664 1.7664 3.5723 3.5723 5.3246 5.3246 6.4898 6.4898 7.1314 7.1314 7.7546 7.7546 8.7072 8.7072 9.3995 9.3995 9.8833 9.8833 10.0729 10.0729 10.5225 10.5225 11.5102 11.5102 12.3357 12.3357 12.7724 12.7724 13.5019 13.5019 14.6526 14.6526 15.4387 15.4387 15.8857 15.8857 17.0403 17.0403 17.9320 17.9320 k = 0.3852-0.7404-0.3454 ( 1707 PWs) bands (ev): 1.3558 1.3558 1.7804 1.7804 3.5406 3.5406 5.2769 5.2769 6.4753 6.4753 7.1465 7.1465 7.7346 7.7346 8.6917 8.6917 9.4075 9.4075 9.8894 9.8894 10.0853 10.0853 10.5425 10.5425 11.5301 11.5301 12.3510 12.3510 12.7863 12.7863 13.4558 13.4558 14.6226 14.6226 15.4072 15.4072 15.9096 15.9096 17.0290 17.0290 17.8892 17.8892 k = 0.3934-0.7561-0.3528 ( 1707 PWs) bands (ev): 1.4526 1.4526 1.7942 1.7942 3.5051 3.5051 5.2299 5.2299 6.4614 6.4614 7.1642 7.1642 7.7155 7.7155 8.6753 8.6753 9.4160 9.4160 9.8936 9.8936 10.0980 10.0980 10.5591 10.5591 11.5528 11.5528 12.3595 12.3595 12.8080 12.8080 13.4131 13.4131 14.5945 14.5945 15.3749 15.3749 15.9327 15.9327 17.0173 17.0173 17.8444 17.8444 k = 0.4016-0.7719-0.3601 ( 1705 PWs) bands (ev): 1.5487 1.5487 1.8083 1.8083 3.4658 3.4658 5.1840 5.1840 6.4482 6.4482 7.1841 7.1841 7.6973 7.6973 8.6579 8.6579 9.4248 9.4248 9.8964 9.8964 10.1109 10.1109 10.5719 10.5719 11.5785 11.5785 12.3600 12.3600 12.8378 12.8378 13.3742 13.3742 14.5690 14.5690 15.3421 15.3421 15.9546 15.9546 17.0052 17.0052 17.7998 17.7998 k = 0.4098-0.7876-0.3675 ( 1706 PWs) bands (ev): 1.6424 1.6424 1.8239 1.8239 3.4226 3.4226 5.1398 5.1398 6.4356 6.4356 7.2054 7.2054 7.6805 7.6805 8.6399 8.6399 9.4341 9.4341 9.8979 9.8979 10.1240 10.1240 10.5806 10.5806 11.6070 11.6070 12.3525 12.3525 12.8748 12.8748 13.3392 13.3392 14.5460 14.5460 15.3088 15.3088 15.9749 15.9749 16.9927 16.9927 17.7568 17.7568 k = 0.4180-0.8034-0.3748 ( 1704 PWs) bands (ev): 1.7291 1.7291 1.8457 1.8457 3.3757 3.3757 5.0978 5.0978 6.4237 6.4237 7.2276 7.2276 7.6652 7.6652 8.6215 8.6215 9.4438 9.4438 9.8985 9.8985 10.1373 10.1373 10.5855 10.5855 11.6382 11.6382 12.3383 12.3383 12.9168 12.9168 13.3081 13.3081 14.5263 14.5263 15.2750 15.2750 15.9934 15.9934 16.9798 16.9798 17.7163 17.7163 k = 0.4262-0.8191-0.3822 ( 1700 PWs) bands (ev): 1.7918 1.7918 1.8901 1.8901 3.3249 3.3249 5.0584 5.0584 6.4127 6.4127 7.2500 7.2500 7.6514 7.6514 8.6029 8.6029 9.4537 9.4537 9.8982 9.8982 10.1506 10.1506 10.5868 10.5868 11.6713 11.6713 12.3189 12.3189 12.9615 12.9615 13.2811 13.2811 14.5099 14.5099 15.2408 15.2408 16.0100 16.0100 16.9666 16.9666 17.6790 17.6790 k = 0.4344-0.8349-0.3895 ( 1703 PWs) bands (ev): 1.8207 1.8207 1.9669 1.9669 3.2703 3.2703 5.0219 5.0219 6.4024 6.4024 7.2719 7.2719 7.6395 7.6395 8.5845 8.5845 9.4636 9.4636 9.8973 9.8973 10.1638 10.1638 10.5851 10.5851 11.7058 11.7058 12.2957 12.2957 13.0064 13.0064 13.2581 13.2581 14.4974 14.4974 15.2062 15.2062 16.0246 16.0246 16.9535 16.9535 17.6452 17.6452 k = 0.4426-0.8506-0.3969 ( 1703 PWs) bands (ev): 1.8354 1.8354 2.0560 2.0560 3.2120 3.2120 4.9889 4.9889 6.3931 6.3931 7.2927 7.2927 7.6294 7.6294 8.5667 8.5667 9.4733 9.4733 9.8959 9.8959 10.1766 10.1766 10.5810 10.5810 11.7409 11.7409 12.2704 12.2704 13.0494 13.0494 13.2391 13.2391 14.4890 14.4890 15.1716 15.1716 16.0373 16.0373 16.9405 16.9405 17.6153 17.6153 k = 0.4508-0.8664-0.4042 ( 1703 PWs) bands (ev): 1.8453 1.8453 2.1478 2.1478 3.1500 3.1500 4.9597 4.9597 6.3849 6.3849 7.3118 7.3118 7.6213 7.6213 8.5499 8.5499 9.4826 9.4826 9.8943 9.8943 10.1890 10.1890 10.5752 10.5752 11.7756 11.7756 12.2439 12.2439 13.0881 13.0881 13.2245 13.2245 14.4848 14.4848 15.1373 15.1373 16.0480 16.0480 16.9283 16.9283 17.5894 17.5894 k = 0.4590-0.8821-0.4116 ( 1702 PWs) bands (ev): 1.8528 1.8528 2.2395 2.2395 3.0848 3.0848 4.9345 4.9345 6.3777 6.3777 7.3286 7.3286 7.6151 7.6151 8.5346 8.5346 9.4912 9.4912 9.8925 9.8925 10.2005 10.2005 10.5684 10.5684 11.8093 11.8093 12.2173 12.2173 13.1203 13.1203 13.2151 13.2151 14.4846 14.4846 15.1043 15.1043 16.0569 16.0569 16.9171 16.9171 17.5675 17.5675 k = 0.4672-0.8979-0.4189 ( 1705 PWs) bands (ev): 1.8586 1.8586 2.3298 2.3298 3.0166 3.0166 4.9135 4.9135 6.3718 6.3718 7.3426 7.3426 7.6107 7.6107 8.5212 8.5212 9.4987 9.4987 9.8907 9.8907 10.2108 10.2108 10.5614 10.5614 11.8407 11.8407 12.1917 12.1917 13.1427 13.1427 13.2126 13.2126 14.4875 14.4875 15.0736 15.0736 16.0640 16.0640 16.9074 16.9074 17.5497 17.5497 k = 0.4754-0.9136-0.4263 ( 1704 PWs) bands (ev): 1.8630 1.8630 2.4176 2.4176 2.9462 2.9462 4.8970 4.8970 6.3672 6.3672 7.3537 7.3537 7.6078 7.6078 8.5102 8.5102 9.5050 9.5050 9.8892 9.8892 10.2195 10.2195 10.5550 10.5550 11.8689 11.8689 12.1682 12.1682 13.1538 13.1538 13.2180 13.2180 14.4927 14.4927 15.0468 15.0468 16.0695 16.0695 16.8994 16.8994 17.5358 17.5358 k = 0.4836-0.9294-0.4336 ( 1703 PWs) bands (ev): 1.8661 1.8661 2.5009 2.5009 2.8754 2.8754 4.8852 4.8852 6.3638 6.3638 7.3616 7.3616 7.6061 7.6061 8.5020 8.5020 9.5096 9.5096 9.8880 9.8880 10.2261 10.2261 10.5498 10.5498 11.8920 11.8920 12.1485 12.1485 13.1569 13.1569 13.2268 13.2268 14.4983 14.4983 15.0256 15.0256 16.0733 16.0733 16.8935 16.8935 17.5260 17.5260 k = 0.4918-0.9452-0.4410 ( 1703 PWs) bands (ev): 1.8680 1.8680 2.5736 2.5736 2.8103 2.8103 4.8780 4.8780 6.3618 6.3618 7.3663 7.3663 7.6053 7.6053 8.4969 8.4969 9.5125 9.5125 9.8872 9.8872 10.2303 10.2303 10.5464 10.5464 11.9077 11.9077 12.1349 12.1349 13.1573 13.1573 13.2339 13.2339 14.5026 14.5026 15.0119 15.0119 16.0755 16.0755 16.8898 16.8898 17.5201 17.5201 k = 0.5000-0.9609-0.4483 ( 1704 PWs) bands (ev): 1.8686 1.8686 2.6097 2.6097 2.7767 2.7767 4.8757 4.8757 6.3611 6.3611 7.3678 7.3678 7.6051 7.6051 8.4952 8.4952 9.5135 9.5135 9.8869 9.8869 10.2317 10.2317 10.5452 10.5452 11.9133 11.9133 12.1299 12.1299 13.1572 13.1572 13.2364 13.2364 14.5042 14.5042 15.0070 15.0070 16.0763 16.0763 16.8886 16.8886 17.5181 17.5181 k = 0.5000-0.9609 0.4662 ( 1704 PWs) bands (ev): 2.0888 2.0888 2.2370 2.2370 3.0724 3.0724 4.4663 4.4663 6.5570 6.5570 7.2158 7.2158 8.4799 8.4799 8.8649 8.8649 8.9581 8.9581 9.6906 9.6906 10.2436 10.2436 10.6699 10.6699 10.6759 10.6759 11.4494 11.4494 13.5659 13.5659 14.1160 14.1160 14.8938 14.8938 14.9715 14.9715 16.6844 16.6844 17.0300 17.0300 17.6869 17.6869 k = 0.4918-0.9452 0.4585 ( 1705 PWs) bands (ev): 2.0788 2.0788 2.2402 2.2402 3.0745 3.0745 4.4701 4.4701 6.5575 6.5575 7.2184 7.2184 8.4712 8.4712 8.8659 8.8659 8.9611 8.9611 9.6876 9.6876 10.2486 10.2486 10.6492 10.6492 10.6945 10.6945 11.4540 11.4540 13.5643 13.5643 14.1134 14.1134 14.8559 14.8559 15.0111 15.0111 16.6837 16.6837 17.0315 17.0315 17.6845 17.6845 k = 0.4836-0.9294 0.4509 ( 1699 PWs) bands (ev): 2.0518 2.0518 2.2469 2.2469 3.0806 3.0806 4.4815 4.4815 6.5593 6.5593 7.2261 7.2261 8.4465 8.4465 8.8659 8.8659 8.9716 8.9716 9.6788 9.6788 10.2632 10.2632 10.6239 10.6239 10.7139 10.7139 11.4676 11.4676 13.5597 13.5597 14.1052 14.1052 14.7975 14.7975 15.0750 15.0750 16.6818 16.6818 17.0358 17.0358 17.6778 17.6778 k = 0.4754-0.9136 0.4432 ( 1702 PWs) bands (ev): 2.0127 2.0127 2.2527 2.2527 3.0907 3.0907 4.5002 4.5002 6.5624 6.5624 7.2387 7.2387 8.4092 8.4092 8.8599 8.8599 8.9913 8.9913 9.6651 9.6651 10.2861 10.2861 10.5972 10.5972 10.7318 10.7318 11.4891 11.4891 13.5519 13.5519 14.0915 14.0915 14.7402 14.7402 15.1416 15.1416 16.6788 16.6788 17.0425 17.0425 17.6676 17.6676 k = 0.4672-0.8979 0.4356 ( 1703 PWs) bands (ev): 1.9649 1.9649 2.2546 2.2546 3.1045 3.1045 4.5257 4.5257 6.5668 6.5668 7.2560 7.2560 8.3629 8.3629 8.8463 8.8463 9.0188 9.0188 9.6474 9.6474 10.3157 10.3157 10.5699 10.5699 10.7491 10.7491 11.5172 11.5172 13.5411 13.5411 14.0720 14.0720 14.6874 14.6874 15.2080 15.2080 16.6746 16.6746 17.0513 17.0513 17.6553 17.6553 k = 0.4590-0.8821 0.4279 ( 1708 PWs) bands (ev): 1.9104 1.9104 2.2515 2.2515 3.1218 3.1218 4.5577 4.5577 6.5728 6.5728 7.2776 7.2776 8.3102 8.3102 8.8259 8.8259 9.0510 9.0510 9.6269 9.6269 10.3495 10.3495 10.5433 10.5433 10.7665 10.7665 11.5503 11.5503 13.5273 13.5273 14.0468 14.0468 14.6406 14.6406 15.2729 15.2729 16.6693 16.6693 17.0616 17.0616 17.6424 17.6424 k = 0.4508-0.8664 0.4203 ( 1711 PWs) bands (ev): 1.8505 1.8505 2.2433 2.2433 3.1423 3.1423 4.5954 4.5954 6.5806 6.5806 7.3031 7.3031 8.2529 8.2529 8.8002 8.8002 9.0852 9.0852 9.6045 9.6045 10.3843 10.3843 10.5196 10.5196 10.7852 10.7852 11.5869 11.5869 13.5107 13.5107 14.0161 14.0161 14.6007 14.6007 15.3359 15.3359 16.6631 16.6631 17.0726 17.0726 17.6302 17.6302 k = 0.4426-0.8506 0.4127 ( 1710 PWs) bands (ev): 1.7860 1.7860 2.2302 2.2302 3.1654 3.1654 4.6384 4.6384 6.5903 6.5903 7.3321 7.3321 8.1923 8.1923 8.7701 8.7701 9.1197 9.1197 9.5811 9.5811 10.4123 10.4123 10.5048 10.5048 10.8064 10.8064 11.6257 11.6257 13.4917 13.4917 13.9806 13.9806 14.5676 14.5676 15.3965 15.3965 16.6560 16.6560 17.0838 17.0838 17.6201 17.6201 k = 0.4344-0.8349 0.4050 ( 1709 PWs) bands (ev): 1.7175 1.7175 2.2127 2.2127 3.1906 3.1906 4.6860 4.6860 6.6021 6.6021 7.3640 7.3640 8.1295 8.1295 8.7366 8.7366 9.1533 9.1533 9.5576 9.5576 10.4192 10.4192 10.5112 10.5112 10.8315 10.8315 11.6656 11.6656 13.4704 13.4704 13.9412 13.9412 14.5411 14.5411 15.4546 15.4546 16.6481 16.6481 17.0943 17.0943 17.6129 17.6129 k = 0.4262-0.8191 0.3974 ( 1709 PWs) bands (ev): 1.6456 1.6456 2.1914 2.1914 3.2175 3.2175 4.7375 4.7375 6.6162 6.6162 7.3983 7.3983 8.0651 8.0651 8.7003 8.7003 9.1848 9.1848 9.5350 9.5350 10.4057 10.4057 10.5360 10.5360 10.8621 10.8621 11.7056 11.7056 13.4473 13.4473 13.8990 13.8990 14.5206 14.5206 15.5103 15.5103 16.6393 16.6393 17.1038 17.1038 17.6092 17.6092 k = 0.4180-0.8034 0.3897 ( 1709 PWs) bands (ev): 1.5708 1.5708 2.1669 2.1669 3.2456 3.2456 4.7923 4.7923 6.6326 6.6326 7.4342 7.4342 7.9999 7.9999 8.6618 8.6618 9.2133 9.2133 9.5144 9.5144 10.3848 10.3848 10.5637 10.5637 10.8996 10.8996 11.7451 11.7451 13.4230 13.4230 13.8549 13.8549 14.5050 14.5050 15.5638 15.5638 16.6298 16.6298 17.1118 17.1118 17.6088 17.6088 k = 0.4098-0.7876 0.3821 ( 1711 PWs) bands (ev): 1.4934 1.4934 2.1399 2.1399 3.2746 3.2746 4.8500 4.8500 6.6514 6.6514 7.4707 7.4707 7.9351 7.9351 8.6218 8.6218 9.2373 9.2373 9.4974 9.4974 10.3617 10.3617 10.5879 10.5879 10.9443 10.9443 11.7837 11.7837 13.3981 13.3981 13.8100 13.8100 14.4936 14.4936 15.6154 15.6154 16.6197 16.6197 17.1184 17.1184 17.6112 17.6112 k = 0.4016-0.7719 0.3745 ( 1708 PWs) bands (ev): 1.4138 1.4138 2.1108 2.1108 3.3039 3.3039 4.9100 4.9100 6.6727 6.6727 7.5066 7.5066 7.8720 7.8720 8.5808 8.5808 9.2553 9.2553 9.4859 9.4859 10.3375 10.3375 10.6069 10.6069 10.9958 10.9958 11.8213 11.8213 13.3731 13.3731 13.7650 13.7650 14.4857 14.4857 15.6654 15.6654 16.6090 16.6090 17.1237 17.1237 17.6154 17.6154 k = 0.3934-0.7561 0.3668 ( 1707 PWs) bands (ev): 1.3324 1.3324 2.0802 2.0802 3.3332 3.3332 4.9719 4.9719 6.6963 6.6963 7.5387 7.5387 7.8136 7.8136 8.5393 8.5393 9.2655 9.2655 9.4818 9.4818 10.3123 10.3123 10.6206 10.6206 11.0528 11.0528 11.8579 11.8579 13.3486 13.3486 13.7205 13.7205 14.4805 14.4805 15.7142 15.7142 16.5980 16.5980 17.1280 17.1280 17.6201 17.6201 k = 0.3852-0.7404 0.3592 ( 1707 PWs) bands (ev): 1.2494 1.2494 2.0485 2.0485 3.3623 3.3623 5.0352 5.0352 6.7221 6.7221 7.5605 7.5605 7.7668 7.7668 8.4976 8.4976 9.2674 9.2674 9.4857 9.4857 10.2860 10.2860 10.6298 10.6298 11.1134 11.1134 11.8937 11.8937 13.3248 13.3248 13.6773 13.6773 14.4775 14.4775 15.7620 15.7620 16.5868 16.5868 17.1315 17.1315 17.6241 17.6241 k = 0.3770-0.7246 0.3515 ( 1709 PWs) bands (ev): 1.1652 1.1652 2.0159 2.0159 3.3908 3.3908 5.0994 5.0994 6.7501 6.7501 7.5591 7.5591 7.7446 7.7446 8.4562 8.4562 9.2622 9.2622 9.4966 9.4966 10.2582 10.2582 10.6355 10.6355 11.1759 11.1759 11.9291 11.9291 13.3017 13.3017 13.6361 13.6361 14.4762 14.4762 15.8090 15.8090 16.5757 16.5757 17.1345 17.1345 17.6261 17.6261 k = 0.3689-0.7089 0.3439 ( 1707 PWs) bands (ev): 1.0801 1.0801 1.9830 1.9830 3.4185 3.4185 5.1643 5.1643 6.7798 6.7798 7.5289 7.5289 7.7530 7.7530 8.4155 8.4155 9.2521 9.2521 9.5124 9.5124 10.2289 10.2289 10.6384 10.6384 11.2387 11.2387 11.9647 11.9647 13.2789 13.2789 13.5983 13.5983 14.4765 14.4765 15.8551 15.8551 16.5649 16.5649 17.1373 17.1373 17.6255 17.6255 k = 0.3607-0.6931 0.3362 ( 1706 PWs) bands (ev): 0.9943 0.9943 1.9498 1.9498 3.4452 3.4452 5.2293 5.2293 6.8106 6.8106 7.4829 7.4829 7.7795 7.7795 8.3757 8.3757 9.2394 9.2394 9.5307 9.5307 10.1979 10.1979 10.6394 10.6394 11.2999 11.2999 12.0013 12.0013 13.2555 13.2555 13.5652 13.5652 14.4780 14.4780 15.9002 15.9002 16.5547 16.5547 17.1398 17.1398 17.6219 17.6219 k = 0.3525-0.6774 0.3286 ( 1707 PWs) bands (ev): 0.9080 0.9080 1.9165 1.9165 3.4705 3.4705 5.2941 5.2941 6.8420 6.8420 7.4331 7.4331 7.8131 7.8131 8.3371 8.3371 9.2255 9.2255 9.5497 9.5497 10.1656 10.1656 10.6390 10.6390 11.3583 11.3583 12.0393 12.0393 13.2301 13.2301 13.5388 13.5388 14.4805 14.4805 15.9440 15.9440 16.5453 16.5453 17.1421 17.1421 17.6155 17.6155 k = 0.3443-0.6616 0.3210 ( 1705 PWs) bands (ev): 0.8214 0.8214 1.8835 1.8835 3.4943 3.4943 5.3583 5.3583 6.8725 6.8725 7.3856 7.3856 7.8490 7.8490 8.2999 8.2999 9.2115 9.2115 9.5678 9.5678 10.1325 10.1325 10.6375 10.6375 11.4126 11.4126 12.0794 12.0794 13.2014 13.2014 13.5207 13.5207 14.4841 14.4841 15.9858 15.9858 16.5367 16.5367 17.1443 17.1443 17.6072 17.6072 k = 0.3361-0.6459 0.3133 ( 1700 PWs) bands (ev): 0.7348 0.7348 1.8508 1.8508 3.5163 3.5163 5.4215 5.4215 6.9002 6.9002 7.3447 7.3447 7.8851 7.8851 8.2646 8.2646 9.1980 9.1980 9.5835 9.5835 10.0997 10.0997 10.6354 10.6354 11.4617 11.4617 12.1218 12.1218 13.1687 13.1687 13.5121 13.5121 14.4889 14.4889 16.0252 16.0252 16.5288 16.5288 17.1464 17.1464 17.5982 17.5982 k = 0.3279-0.6301 0.3057 ( 1703 PWs) bands (ev): 0.6484 0.6484 1.8186 1.8186 3.5363 3.5363 5.4832 5.4832 6.9225 6.9225 7.3141 7.3141 7.9201 7.9201 8.2314 8.2314 9.1853 9.1853 9.5950 9.5950 10.0689 10.0689 10.6328 10.6328 11.5050 11.5050 12.1665 12.1665 13.1322 13.1322 13.5132 13.5132 14.4947 14.4947 16.0612 16.0612 16.5213 16.5213 17.1485 17.1485 17.5894 17.5894 k = 0.3197-0.6144 0.2980 ( 1701 PWs) bands (ev): 0.5623 0.5623 1.7870 1.7870 3.5542 3.5542 5.5430 5.5430 6.9363 6.9363 7.2981 7.2981 7.9532 7.9532 8.2010 8.2010 9.1737 9.1737 9.6003 9.6003 10.0423 10.0423 10.6300 10.6300 11.5423 11.5423 12.2129 12.2129 13.0929 13.0929 13.5232 13.5232 14.5019 14.5019 16.0933 16.0933 16.5137 16.5137 17.1510 17.1510 17.5824 17.5824 k = 0.3115-0.5986 0.2904 ( 1703 PWs) bands (ev): 0.4767 0.4767 1.7560 1.7560 3.5695 3.5695 5.6003 5.6003 6.9396 6.9396 7.2989 7.2989 7.9830 7.9830 8.1742 8.1742 9.1632 9.1632 9.5971 9.5971 10.0225 10.0225 10.6270 10.6270 11.5736 11.5736 12.2600 12.2600 13.0523 13.0523 13.5411 13.5411 14.5107 14.5107 16.1209 16.1209 16.5050 16.5050 17.1546 17.1546 17.5782 17.5782 k = 0.3033-0.5828 0.2828 ( 1704 PWs) bands (ev): 0.3918 0.3918 1.7259 1.7259 3.5821 3.5821 5.6547 5.6547 6.9336 6.9336 7.3162 7.3162 8.0076 8.0076 8.1532 8.1532 9.1537 9.1537 9.5837 9.5837 10.0115 10.0115 10.6238 10.6238 11.5992 11.5992 12.3063 12.3063 13.0123 13.0123 13.5655 13.5655 14.5213 14.5213 16.1439 16.1439 16.4940 16.4940 17.1600 17.1600 17.5775 17.5775 k = 0.2951-0.5671 0.2751 ( 1703 PWs) bands (ev): 0.3077 0.3077 1.6966 1.6966 3.5919 3.5919 5.7057 5.7057 6.9223 6.9223 7.3464 7.3464 8.0229 8.0229 8.1420 8.1420 9.1454 9.1454 9.5597 9.5597 10.0102 10.0102 10.6207 10.6207 11.6195 11.6195 12.3500 12.3500 12.9749 12.9749 13.5953 13.5953 14.5340 14.5340 16.1623 16.1623 16.4797 16.4797 17.1681 17.1681 17.5808 17.5808 k = 0.2869-0.5513 0.2675 ( 1701 PWs) bands (ev): 0.2246 0.2246 1.6682 1.6682 3.5987 3.5987 5.7528 5.7528 6.9097 6.9097 7.3858 7.3858 8.0251 8.0251 8.1446 8.1446 9.1380 9.1380 9.5262 9.5262 10.0179 10.0179 10.6176 10.6176 11.6349 11.6349 12.3889 12.3889 12.9423 12.9423 13.6289 13.6289 14.5494 14.5494 16.1762 16.1762 16.4611 16.4611 17.1796 17.1796 17.5881 17.5881 k = 0.2787-0.5356 0.2598 ( 1702 PWs) bands (ev): 0.1426 0.1426 1.6408 1.6408 3.6022 3.6022 5.7955 5.7955 6.8991 6.8991 7.4313 7.4313 8.0165 8.0165 8.1588 8.1588 9.1316 9.1316 9.4853 9.4853 10.0329 10.0329 10.6147 10.6147 11.6456 11.6456 12.4207 12.4207 12.9169 12.9169 13.6651 13.6651 14.5676 14.5676 16.1859 16.1859 16.4380 16.4380 17.1944 17.1944 17.5990 17.5990 k = 0.2705-0.5198 0.2522 ( 1703 PWs) bands (ev): 0.0618 0.0618 1.6144 1.6144 3.6023 3.6023 5.8337 5.8337 6.8926 6.8926 7.4806 7.4806 8.0030 8.0030 8.1790 8.1790 9.1259 9.1259 9.4394 9.4394 10.0536 10.0536 10.6120 10.6120 11.6521 11.6521 12.4432 12.4432 12.9010 12.9010 13.7025 13.7025 14.5890 14.5890 16.1913 16.1913 16.4111 16.4111 17.2127 17.2127 17.6131 17.6131 k = 0.2623-0.5041 0.2445 ( 1705 PWs) bands (ev): -0.0176 -0.0176 1.5890 1.5890 3.5989 3.5989 5.8672 5.8672 6.8913 6.8913 7.5319 7.5319 7.9886 7.9886 8.2017 8.2017 9.1207 9.1207 9.3905 9.3905 10.0781 10.0781 10.6098 10.6098 11.6543 11.6543 12.4552 12.4552 12.8957 12.8957 13.7398 13.7398 14.6140 14.6140 16.1919 16.1919 16.3823 16.3823 17.2337 17.2337 17.6296 17.6296 k = 0.2541-0.4883 0.2369 ( 1703 PWs) bands (ev): -0.0956 -0.0956 1.5648 1.5648 3.5921 3.5921 5.8962 5.8962 6.8958 6.8958 7.5838 7.5838 7.9757 7.9757 8.2253 8.2253 9.1160 9.1160 9.3404 9.3404 10.1052 10.1052 10.6084 10.6084 11.6524 11.6524 12.4576 12.4576 12.9008 12.9008 13.7758 13.7758 14.6427 14.6427 16.1860 16.1860 16.3547 16.3547 17.2568 17.2568 17.6475 17.6475 k = 0.2459-0.4726 0.2293 ( 1699 PWs) bands (ev): -0.1720 -0.1720 1.5417 1.5417 3.5817 3.5817 5.9211 5.9211 6.9059 6.9059 7.6347 7.6347 7.9657 7.9657 8.2493 8.2493 9.1110 9.1110 9.2909 9.2909 10.1336 10.1336 10.6081 10.6081 11.6463 11.6463 12.4524 12.4524 12.9141 12.9141 13.8092 13.8092 14.6748 14.6748 16.1714 16.1714 16.3325 16.3325 17.2811 17.2811 17.6658 17.6658 k = 0.2377-0.4568 0.2216 ( 1697 PWs) bands (ev): -0.2468 -0.2468 1.5197 1.5197 3.5679 3.5679 5.9424 5.9424 6.9208 6.9208 7.6826 7.6826 7.9605 7.9605 8.2734 8.2734 9.1049 9.1049 9.2440 9.2440 10.1624 10.1624 10.6094 10.6094 11.6362 11.6362 12.4427 12.4427 12.9326 12.9326 13.8393 13.8393 14.7097 14.7097 16.1471 16.1471 16.3186 16.3186 17.3060 17.3060 17.6834 17.6834 k = 0.2295-0.4411 0.2140 ( 1699 PWs) bands (ev): -0.3198 -0.3198 1.4989 1.4989 3.5507 3.5507 5.9608 5.9608 6.9398 6.9398 7.7246 7.7246 7.9625 7.9625 8.2977 8.2977 9.0952 9.0952 9.2030 9.2030 10.1905 10.1905 10.6128 10.6128 11.6221 11.6221 12.4311 12.4311 12.9537 12.9537 13.8656 13.8656 14.7463 14.7463 16.1149 16.1149 16.3133 16.3133 17.3308 17.3308 17.6994 17.6994 k = 0.2213-0.4253 0.2063 ( 1702 PWs) bands (ev): -0.3910 -0.3910 1.4792 1.4792 3.5303 3.5303 5.9772 5.9772 6.9616 6.9616 7.7574 7.7574 7.9747 7.9747 8.3222 8.3222 9.0779 9.0779 9.1727 9.1727 10.2170 10.2170 10.6189 10.6189 11.6044 11.6044 12.4196 12.4196 12.9753 12.9753 13.8878 13.8878 14.7831 14.7831 16.0788 16.0788 16.3147 16.3147 17.3549 17.3549 17.7131 17.7131 k = 0.2131-0.4096 0.1987 ( 1705 PWs) bands (ev): -0.4602 -0.4602 1.4607 1.4607 3.5068 3.5068 5.9922 5.9922 6.9851 6.9851 7.7788 7.7788 7.9990 7.9990 8.3472 8.3472 9.0506 9.0506 9.1561 9.1561 10.2412 10.2412 10.6284 10.6284 11.5836 11.5836 12.4092 12.4092 12.9958 12.9958 13.9061 13.9061 14.8181 14.8181 16.0424 16.0424 16.3217 16.3217 17.3778 17.3778 17.7241 17.7241 k = 0.2049-0.3938 0.1910 ( 1705 PWs) bands (ev): -0.5274 -0.5274 1.4434 1.4434 3.4806 3.4806 6.0064 6.0064 7.0089 7.0089 7.7902 7.7902 8.0338 8.0338 8.3727 8.3727 9.0176 9.0176 9.1496 9.1496 10.2623 10.2623 10.6419 10.6419 11.5603 11.5603 12.4004 12.4004 13.0143 13.0143 13.9206 13.9206 14.8490 14.8490 16.0085 16.0085 16.3338 16.3338 17.3991 17.3991 17.7325 17.7325 k = 0.1967-0.3781 0.1834 ( 1705 PWs) bands (ev): -0.5925 -0.5925 1.4273 1.4273 3.4519 3.4519 6.0205 6.0205 7.0320 7.0320 7.7949 7.7949 8.0755 8.0755 8.3988 8.3988 8.9838 8.9838 9.1486 9.1486 10.2799 10.2799 10.6595 10.6595 11.5353 11.5353 12.3932 12.3932 13.0301 13.0301 13.9318 13.9318 14.8735 14.8735 15.9792 15.9792 16.3512 16.3512 17.4184 17.4184 17.7387 17.7387 k = 0.1885-0.3623 0.1758 ( 1704 PWs) bands (ev): -0.6555 -0.6555 1.4123 1.4123 3.4210 3.4210 6.0347 6.0347 7.0531 7.0531 7.7961 7.7961 8.1208 8.1208 8.4256 8.4256 8.9522 8.9522 9.1506 9.1506 10.2942 10.2942 10.6813 10.6813 11.5094 11.5094 12.3875 12.3875 13.0426 13.0426 13.9401 13.9401 14.8894 14.8894 15.9557 15.9557 16.3745 16.3745 17.4353 17.4353 17.7432 17.7432 k = 0.1803-0.3466 0.1681 ( 1704 PWs) bands (ev): -0.7163 -0.7163 1.3985 1.3985 3.3883 3.3883 6.0493 6.0493 7.0714 7.0714 7.7958 7.7958 8.1673 8.1673 8.4530 8.4530 8.9240 8.9240 9.1544 9.1544 10.3053 10.3053 10.7068 10.7068 11.4832 11.4832 12.3826 12.3826 13.0517 13.0517 13.9457 13.9457 14.8953 14.8953 15.9386 15.9386 16.4045 16.4045 17.4493 17.4493 17.7468 17.7468 k = 0.1721-0.3308 0.1605 ( 1704 PWs) bands (ev): -0.7747 -0.7747 1.3858 1.3858 3.3541 3.3541 6.0646 6.0646 7.0860 7.0860 7.7954 7.7954 8.2138 8.2138 8.4810 8.4810 8.9002 8.9002 9.1593 9.1593 10.3139 10.3139 10.7354 10.7354 11.4578 11.4578 12.3781 12.3781 13.0573 13.0573 13.9492 13.9492 14.8906 14.8906 15.9274 15.9274 16.4422 16.4422 17.4602 17.4602 17.7499 17.7499 k = 0.1639-0.3151 0.1528 ( 1708 PWs) bands (ev): -0.8309 -0.8309 1.3743 1.3743 3.3187 3.3187 6.0807 6.0807 7.0963 7.0963 7.7955 7.7955 8.2594 8.2594 8.5094 8.5094 8.8814 8.8814 9.1647 9.1647 10.3208 10.3208 10.7665 10.7665 11.4337 11.4337 12.3732 12.3732 13.0595 13.0595 13.9506 13.9506 14.8755 14.8755 15.9211 15.9211 16.4881 16.4881 17.4680 17.4680 17.7529 17.7529 k = 0.1557-0.2993 0.1452 ( 1709 PWs) bands (ev): -0.8846 -0.8846 1.3638 1.3638 3.2826 3.2826 6.0975 6.0975 7.1020 7.1020 7.7965 7.7965 8.3034 8.3034 8.5378 8.5378 8.8680 8.8680 9.1702 9.1702 10.3266 10.3266 10.7994 10.7994 11.4116 11.4116 12.3675 12.3675 13.0585 13.0585 13.9502 13.9502 14.8514 14.8514 15.9182 15.9182 16.5424 16.5424 17.4729 17.4729 17.7561 17.7561 k = 0.1475-0.2835 0.1376 ( 1709 PWs) bands (ev): -0.9359 -0.9359 1.3544 1.3544 3.2459 3.2459 6.1151 6.1151 7.1028 7.1028 7.7988 7.7988 8.3452 8.3452 8.5661 8.5661 8.8605 8.8605 9.1753 9.1753 10.3320 10.3320 10.8334 10.8334 11.3922 11.3922 12.3602 12.3602 13.0547 13.0547 13.9482 13.9482 14.8198 14.8198 15.9176 15.9176 16.6047 16.6047 17.4751 17.4751 17.7592 17.7592 k = 0.1393-0.2678 0.1299 ( 1708 PWs) bands (ev): -0.9846 -0.9846 1.3460 1.3460 3.2092 3.2092 6.1334 6.1334 7.0989 7.0989 7.8023 7.8023 8.3842 8.3842 8.5941 8.5941 8.8593 8.8593 9.1796 9.1796 10.3374 10.3374 10.8681 10.8681 11.3759 11.3759 12.3508 12.3508 13.0486 13.0486 13.9445 13.9445 14.7824 14.7824 15.9181 15.9181 16.6744 16.6744 17.4752 17.4752 17.7620 17.7620 k = 0.1311-0.2520 0.1223 ( 1707 PWs) bands (ev): -1.0309 -1.0309 1.3386 1.3386 3.1726 3.1726 6.1524 6.1524 7.0906 7.0906 7.8071 7.8071 8.4194 8.4194 8.6217 8.6217 8.8644 8.8644 9.1828 9.1828 10.3431 10.3431 10.9032 10.9032 11.3631 11.3631 12.3388 12.3388 13.0407 13.0407 13.9394 13.9394 14.7408 14.7408 15.9192 15.9192 16.7503 16.7503 17.4738 17.4738 17.7643 17.7643 k = 0.1230-0.2363 0.1146 ( 1709 PWs) bands (ev): -1.0745 -1.0745 1.3321 1.3321 3.1366 3.1366 6.1720 6.1720 7.0781 7.0781 7.8130 7.8130 8.4502 8.4502 8.6495 8.6495 8.8755 8.8755 9.1847 9.1847 10.3492 10.3492 10.9384 10.9384 11.3539 11.3539 12.3237 12.3237 13.0314 13.0314 13.9327 13.9327 14.6965 14.6965 15.9204 15.9204 16.8311 16.8311 17.4714 17.4714 17.7658 17.7658 k = 0.1148-0.2205 0.1070 ( 1713 PWs) bands (ev): -1.1155 -1.1155 1.3265 1.3265 3.1013 3.1013 6.1921 6.1921 7.0621 7.0621 7.8199 7.8199 8.4759 8.4759 8.6779 8.6779 8.8918 8.8918 9.1850 9.1850 10.3558 10.3558 10.9735 10.9735 11.3486 11.3486 12.3052 12.3052 13.0214 13.0214 13.9247 13.9247 14.6507 14.6507 15.9216 15.9216 16.9153 16.9153 17.4688 17.4688 17.7664 17.7664 k = 0.1066-0.2048 0.0993 ( 1714 PWs) bands (ev): -1.1538 -1.1538 1.3217 1.3217 3.0672 3.0672 6.2126 6.2126 7.0431 7.0431 7.8275 7.8275 8.4965 8.4965 8.7076 8.7076 8.9119 8.9119 9.1840 9.1840 10.3629 10.3629 11.0087 11.0087 11.3471 11.3471 12.2830 12.2830 13.0112 13.0112 13.9153 13.9153 14.6045 14.6045 15.9229 15.9229 17.0014 17.0014 17.4667 17.4667 17.7660 17.7660 k = 0.0984-0.1890 0.0917 ( 1709 PWs) bands (ev): -1.1895 -1.1895 1.3177 1.3177 3.0344 3.0344 6.2335 6.2335 7.0217 7.0217 7.8357 7.8357 8.5124 8.5124 8.7386 8.7386 8.9344 8.9344 9.1819 9.1819 10.3704 10.3704 11.0437 11.0437 11.3494 11.3494 12.2572 12.2572 13.0012 13.0012 13.9047 13.9047 14.5588 14.5588 15.9243 15.9243 17.0876 17.0876 17.4659 17.4659 17.7649 17.7649 k = 0.0902-0.1733 0.0841 ( 1711 PWs) bands (ev): -1.2223 -1.2223 1.3143 1.3143 3.0032 3.0032 6.2545 6.2545 6.9985 6.9985 7.8443 7.8443 8.5244 8.5244 8.7703 8.7703 8.9576 8.9576 9.1789 9.1789 10.3780 10.3780 11.0784 11.0784 11.3553 11.3553 12.2275 12.2275 12.9916 12.9916 13.8932 13.8932 14.5143 14.5143 15.9259 15.9259 17.1713 17.1713 17.4674 17.4674 17.7633 17.7633 k = 0.0820-0.1575 0.0764 ( 1713 PWs) bands (ev): -1.2525 -1.2525 1.3116 1.3116 2.9739 2.9739 6.2755 6.2755 6.9740 6.9740 7.8530 7.8530 8.5333 8.5333 8.8022 8.8022 8.9800 8.9800 9.1758 9.1758 10.3856 10.3856 11.1124 11.1124 11.3649 11.3649 12.1943 12.1943 12.9828 12.9828 13.8810 13.8810 14.4716 14.4716 15.9277 15.9277 17.2491 17.2491 17.4730 17.4730 17.7621 17.7621 k = 0.0738-0.1418 0.0688 ( 1708 PWs) bands (ev): -1.2798 -1.2798 1.3095 1.3095 2.9466 2.9466 6.2965 6.2965 6.9488 6.9488 7.8616 7.8616 8.5402 8.5402 8.8336 8.8336 9.0004 9.0004 9.1732 9.1732 10.3931 10.3931 11.1452 11.1452 11.3784 11.3784 12.1578 12.1578 12.9749 12.9749 13.8684 13.8684 14.4314 14.4314 15.9298 15.9298 17.3154 17.3154 17.4865 17.4865 17.7623 17.7623 k = 0.0656-0.1260 0.0611 ( 1706 PWs) bands (ev): -1.3043 -1.3043 1.3078 1.3078 2.9217 2.9217 6.3173 6.3173 6.9235 6.9235 7.8700 7.8700 8.5455 8.5455 8.8637 8.8637 9.0176 9.0176 9.1720 9.1720 10.4004 10.4004 11.1758 11.1758 11.3961 11.3961 12.1185 12.1185 12.9680 12.9680 13.8557 13.8557 14.3941 14.3941 15.9320 15.9320 17.3628 17.3628 17.5122 17.5122 17.7656 17.7656 k = 0.0574-0.1103 0.0535 ( 1709 PWs) bands (ev): -1.3260 -1.3260 1.3065 1.3065 2.8992 2.8992 6.3374 6.3374 6.8985 6.8985 7.8779 7.8779 8.5498 8.5498 8.8916 8.8916 9.0309 9.0309 9.1727 9.1727 10.4073 10.4073 11.2033 11.2033 11.4184 11.4184 12.0766 12.0766 12.9620 12.9620 13.8433 13.8433 14.3600 14.3600 15.9343 15.9343 17.3898 17.3898 17.5476 17.5476 17.7745 17.7745 k = 0.0492-0.0945 0.0459 ( 1708 PWs) bands (ev): -1.3448 -1.3448 1.3055 1.3055 2.8793 2.8793 6.3568 6.3568 6.8746 6.8746 7.8852 7.8852 8.5532 8.5532 8.9165 8.9165 9.0405 9.0405 9.1752 9.1752 10.4138 10.4138 11.2267 11.2267 11.4458 11.4458 12.0328 12.0328 12.9570 12.9570 13.8317 13.8317 14.3297 14.3297 15.9365 15.9365 17.4040 17.4040 17.5813 17.5813 17.7918 17.7918 k = 0.0410-0.0788 0.0382 ( 1706 PWs) bands (ev): -1.3608 -1.3608 1.3048 1.3048 2.8622 2.8622 6.3749 6.3749 6.8523 6.8523 7.8917 7.8917 8.5560 8.5560 8.9376 8.9376 9.0474 9.0474 9.1792 9.1792 10.4197 10.4197 11.2456 11.2456 11.4779 11.4779 11.9878 11.9878 12.9529 12.9529 13.8210 13.8210 14.3035 14.3035 15.9387 15.9387 17.4122 17.4122 17.6049 17.6049 17.8175 17.8175 k = 0.0328-0.0630 0.0306 ( 1708 PWs) bands (ev): -1.3739 -1.3739 1.3044 1.3044 2.8480 2.8480 6.3912 6.3912 6.8322 6.8322 7.8972 7.8972 8.5583 8.5583 8.9542 8.9542 9.0528 9.0528 9.1836 9.1836 10.4248 10.4248 11.2601 11.2601 11.5137 11.5137 11.9422 11.9422 12.9497 12.9497 13.8118 13.8118 14.2816 14.2816 15.9406 15.9406 17.4174 17.4174 17.6180 17.6180 17.8476 17.8476 k = 0.0246-0.0473 0.0229 ( 1707 PWs) bands (ev): -1.3841 -1.3841 1.3041 1.3041 2.8369 2.8369 6.4051 6.4051 6.8153 6.8153 7.9017 7.9017 8.5601 8.5601 8.9660 8.9660 9.0577 9.0577 9.1876 9.1876 10.4290 10.4290 11.2706 11.2706 11.5515 11.5515 11.8976 11.8976 12.9473 12.9473 13.8043 13.8043 14.2643 14.2643 15.9422 15.9422 17.4211 17.4211 17.6242 17.6242 17.8762 17.8762 k = 0.0164-0.0315 0.0153 ( 1705 PWs) bands (ev): -1.3913 -1.3913 1.3039 1.3039 2.8289 2.8289 6.4158 6.4158 6.8023 6.8023 7.9049 7.9049 8.5614 8.5614 8.9733 8.9733 9.0622 9.0622 9.1906 9.1906 10.4322 10.4322 11.2777 11.2777 11.5883 11.5883 11.8564 11.8564 12.9456 12.9456 13.7987 13.7987 14.2518 14.2518 15.9434 15.9434 17.4236 17.4236 17.6266 17.6266 17.8990 17.8990 k = 0.0082-0.0158 0.0076 ( 1706 PWs) bands (ev): -1.3957 -1.3957 1.3038 1.3038 2.8241 2.8241 6.4227 6.4227 6.7941 6.7941 7.9069 7.9069 8.5622 8.5622 8.9772 8.9772 9.0654 9.0654 9.1925 9.1925 10.4341 10.4341 11.2818 11.2818 11.6185 11.6185 11.8237 11.8237 12.9446 12.9446 13.7953 13.7953 14.2442 14.2442 15.9441 15.9441 17.4251 17.4251 17.6274 17.6274 17.9135 17.9135 k = 0.0000 0.0000 0.0000 ( 1703 PWs) bands (ev): -1.3972 -1.3972 1.3037 1.3037 2.8224 2.8224 6.4250 6.4250 6.7913 6.7913 7.9076 7.9076 8.5625 8.5625 8.9784 8.9784 9.0666 9.0666 9.1931 9.1931 10.4348 10.4348 11.2832 11.2832 11.6312 11.6312 11.8103 11.8103 12.9443 12.9443 13.7941 13.7941 14.2417 14.2417 15.9444 15.9444 17.4256 17.4256 17.6276 17.6276 17.9184 17.9184 Writing output data file IrC2.save init_run : 3.69s CPU 13.32s WALL ( 1 calls) electrons : 826.20s CPU 835.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.50s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 826.16s CPU 835.03s WALL ( 1 calls) v_of_rho : 0.09s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.62s WALL ( 1 calls) newd : 0.45s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 480 calls) cegterg : 778.72s CPU 784.68s WALL ( 1170 calls) Called by sum_band: Called by *egterg: h_psi : 458.15s CPU 469.94s WALL ( 20483 calls) s_psi : 25.72s CPU 26.58s WALL ( 20483 calls) g_psi : 0.33s CPU 0.44s WALL ( 18833 calls) cdiaghg : 241.73s CPU 237.77s WALL ( 19313 calls) cegterg:over : 47.65s CPU 43.16s WALL ( 18833 calls) cegterg:upda : 3.57s CPU 7.23s WALL ( 18833 calls) cegterg:last : 3.82s CPU 5.07s WALL ( 3171 calls) Called by h_psi: h_psi:vloc : 402.06s CPU 412.86s WALL ( 20483 calls) h_psi:vnl : 55.95s CPU 56.44s WALL ( 20483 calls) add_vuspsi : 16.02s CPU 21.09s WALL ( 20483 calls) General routines calbec : 39.87s CPU 35.11s WALL ( 20483 calls) fft : 0.52s CPU 1.48s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 373.52s CPU 379.75s WALL ( 1724708 calls) interpolate : 0.10s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 0.98s WALL ( 960 calls) Parallel routines fft_scatter : 198.40s CPU 199.68s WALL ( 1724731 calls) PWSCF : 14m40.01s CPU 16m 1.25s WALL This run was terminated on: 2:48: 0 23May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=