Program PWSCF v.5.1.1 starts on 8Oct2015 at 18:16:41 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: ./AgNO2.save/ 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 36 21 6 770 334 54 Max 37 22 7 774 347 57 Sum 1769 1025 299 37101 16367 2633 bravais-lattice index = 14 lattice parameter (alat) = 8.2836 a.u. unit-cell volume = 376.6565 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.283649 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.679053 celldm(5)= -0.304487 celldm(6)= -0.016460 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.016460 0.999865 0.000000 ) a(3) = ( -0.304487 -0.684158 0.662734 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.016462 0.476435 ) b(2) = ( 0.000000 1.000135 1.032466 ) b(3) = ( 0.000000 0.000000 1.508901 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) Ag 11.00 107.86820 Ag( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 449 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 2) = ( -0.0055263 0.0054361 0.0114115), wk = 0.0022272 k( 3) = ( -0.0110527 0.0108722 0.0228230), wk = 0.0022272 k( 4) = ( -0.0165790 0.0163083 0.0342345), wk = 0.0022272 k( 5) = ( -0.0221053 0.0217444 0.0456460), wk = 0.0022272 k( 6) = ( -0.0276316 0.0271805 0.0570575), wk = 0.0022272 k( 7) = ( -0.0331580 0.0326166 0.0684689), wk = 0.0022272 k( 8) = ( -0.0386843 0.0380527 0.0798804), wk = 0.0022272 k( 9) = ( -0.0442106 0.0434888 0.0912919), wk = 0.0022272 k( 10) = ( -0.0497369 0.0489249 0.1027034), wk = 0.0022272 k( 11) = ( -0.0552633 0.0543610 0.1141149), wk = 0.0022272 k( 12) = ( -0.0607896 0.0597971 0.1255264), wk = 0.0022272 k( 13) = ( -0.0663159 0.0652332 0.1369379), wk = 0.0022272 k( 14) = ( -0.0718422 0.0706693 0.1483494), wk = 0.0022272 k( 15) = ( -0.0773686 0.0761054 0.1597609), wk = 0.0022272 k( 16) = ( -0.0828949 0.0815415 0.1711724), wk = 0.0022272 k( 17) = ( -0.0884212 0.0869776 0.1825838), wk = 0.0022272 k( 18) = ( -0.0939475 0.0924137 0.1939953), wk = 0.0022272 k( 19) = ( -0.0994739 0.0978498 0.2054068), wk = 0.0022272 k( 20) = ( -0.1050002 0.1032859 0.2168183), wk = 0.0022272 k( 21) = ( -0.1105265 0.1087220 0.2282298), wk = 0.0022272 k( 22) = ( -0.1160528 0.1141581 0.2396413), wk = 0.0022272 k( 23) = ( -0.1215792 0.1195942 0.2510528), wk = 0.0022272 k( 24) = ( -0.1271055 0.1250303 0.2624643), wk = 0.0022272 k( 25) = ( -0.1326318 0.1304664 0.2738758), wk = 0.0022272 k( 26) = ( -0.1381582 0.1359025 0.2852873), wk = 0.0022272 k( 27) = ( -0.1436845 0.1413386 0.2966987), wk = 0.0022272 k( 28) = ( -0.1492108 0.1467747 0.3081102), wk = 0.0022272 k( 29) = ( -0.1547371 0.1522108 0.3195217), wk = 0.0022272 k( 30) = ( -0.1602635 0.1576469 0.3309332), wk = 0.0022272 k( 31) = ( -0.1657898 0.1630830 0.3423447), wk = 0.0022272 k( 32) = ( -0.1713161 0.1685190 0.3537562), wk = 0.0022272 k( 33) = ( -0.1768424 0.1739552 0.3651677), wk = 0.0022272 k( 34) = ( -0.1823687 0.1793912 0.3765792), wk = 0.0022272 k( 35) = ( -0.1878951 0.1848273 0.3879907), wk = 0.0022272 k( 36) = ( -0.1934214 0.1902634 0.3994021), wk = 0.0022272 k( 37) = ( -0.1989477 0.1956995 0.4108136), wk = 0.0022272 k( 38) = ( -0.2044741 0.2011356 0.4222251), wk = 0.0022272 k( 39) = ( -0.2100004 0.2065717 0.4336366), wk = 0.0022272 k( 40) = ( -0.2155267 0.2120078 0.4450481), wk = 0.0022272 k( 41) = ( -0.2210530 0.2174439 0.4564596), wk = 0.0022272 k( 42) = ( -0.2265794 0.2228800 0.4678711), wk = 0.0022272 k( 43) = ( -0.2321057 0.2283161 0.4792826), wk = 0.0022272 k( 44) = ( -0.2376320 0.2337522 0.4906941), wk = 0.0022272 k( 45) = ( -0.2431583 0.2391883 0.5021056), wk = 0.0022272 k( 46) = ( -0.2486847 0.2446244 0.5135170), wk = 0.0022272 k( 47) = ( -0.2542110 0.2500605 0.5249285), wk = 0.0022272 k( 48) = ( -0.2597373 0.2554966 0.5363400), wk = 0.0022272 k( 49) = ( -0.2652636 0.2609327 0.5477515), wk = 0.0022272 k( 50) = ( -0.2707900 0.2663688 0.5591630), wk = 0.0022272 k( 51) = ( -0.2763163 0.2718049 0.5705745), wk = 0.0022272 k( 52) = ( -0.2818426 0.2772410 0.5819860), wk = 0.0022272 k( 53) = ( -0.2873689 0.2826771 0.5933975), wk = 0.0022272 k( 54) = ( -0.2928953 0.2881132 0.6048090), wk = 0.0022272 k( 55) = ( -0.2984216 0.2935493 0.6162205), wk = 0.0022272 k( 56) = ( -0.3039479 0.2989854 0.6276319), wk = 0.0022272 k( 57) = ( -0.3094743 0.3044215 0.6390434), wk = 0.0022272 k( 58) = ( -0.3150006 0.3098576 0.6504549), wk = 0.0022272 k( 59) = ( -0.3205269 0.3152937 0.6618664), wk = 0.0022272 k( 60) = ( -0.3260532 0.3207298 0.6732779), wk = 0.0022272 k( 61) = ( -0.3315796 0.3261659 0.6846894), wk = 0.0022272 k( 62) = ( -0.3315796 0.3261659 0.6846894), wk = 0.0022272 k( 63) = ( -0.3234449 0.3181641 0.6924407), wk = 0.0022272 k( 64) = ( -0.3153103 0.3101622 0.7001919), wk = 0.0022272 k( 65) = ( -0.3071756 0.3021604 0.7079432), wk = 0.0022272 k( 66) = ( -0.2990410 0.2941586 0.7156944), wk = 0.0022272 k( 67) = ( -0.2909063 0.2861568 0.7234457), wk = 0.0022272 k( 68) = ( -0.2827717 0.2781549 0.7311969), wk = 0.0022272 k( 69) = ( -0.2746371 0.2701531 0.7389482), wk = 0.0022272 k( 70) = ( -0.2665024 0.2621513 0.7466994), wk = 0.0022272 k( 71) = ( -0.2583678 0.2541495 0.7544507), wk = 0.0022272 k( 72) = ( -0.2583678 0.2541495 0.7544507), wk = 0.0022272 k( 73) = ( -0.2484306 0.2443745 0.7544507), wk = 0.0022272 k( 74) = ( -0.2384933 0.2345995 0.7544507), wk = 0.0022272 k( 75) = ( -0.2285561 0.2248245 0.7544507), wk = 0.0022272 k( 76) = ( -0.2186189 0.2150495 0.7544507), wk = 0.0022272 k( 77) = ( -0.2086817 0.2052746 0.7544507), wk = 0.0022272 k( 78) = ( -0.1987445 0.1954996 0.7544507), wk = 0.0022272 k( 79) = ( -0.1888072 0.1857246 0.7544507), wk = 0.0022272 k( 80) = ( -0.1788700 0.1759496 0.7544507), wk = 0.0022272 k( 81) = ( -0.1689328 0.1661746 0.7544507), wk = 0.0022272 k( 82) = ( -0.1589956 0.1563997 0.7544507), wk = 0.0022272 k( 83) = ( -0.1490583 0.1466247 0.7544507), wk = 0.0022272 k( 84) = ( -0.1391211 0.1368497 0.7544507), wk = 0.0022272 k( 85) = ( -0.1291839 0.1270747 0.7544507), wk = 0.0022272 k( 86) = ( -0.1192467 0.1172997 0.7544507), wk = 0.0022272 k( 87) = ( -0.1093095 0.1075248 0.7544507), wk = 0.0022272 k( 88) = ( -0.0993722 0.0977498 0.7544507), wk = 0.0022272 k( 89) = ( -0.0894350 0.0879748 0.7544507), wk = 0.0022272 k( 90) = ( -0.0794978 0.0781998 0.7544507), wk = 0.0022272 k( 91) = ( -0.0695606 0.0684249 0.7544507), wk = 0.0022272 k( 92) = ( -0.0596233 0.0586499 0.7544507), wk = 0.0022272 k( 93) = ( -0.0496861 0.0488749 0.7544507), wk = 0.0022272 k( 94) = ( -0.0397489 0.0390999 0.7544507), wk = 0.0022272 k( 95) = ( -0.0298117 0.0293249 0.7544507), wk = 0.0022272 k( 96) = ( -0.0198744 0.0195500 0.7544507), wk = 0.0022272 k( 97) = ( -0.0099372 0.0097750 0.7544507), wk = 0.0022272 k( 98) = ( 0.0000000 0.0000000 0.7544507), wk = 0.0022272 k( 99) = ( 0.0000000 0.0000000 0.7544507), wk = 0.0022272 k( 100) = ( 0.0096154 0.0097750 0.7544507), wk = 0.0022272 k( 101) = ( 0.0192308 0.0195500 0.7544507), wk = 0.0022272 k( 102) = ( 0.0288462 0.0293249 0.7544507), wk = 0.0022272 k( 103) = ( 0.0384615 0.0390999 0.7544507), wk = 0.0022272 k( 104) = ( 0.0480769 0.0488749 0.7544507), wk = 0.0022272 k( 105) = ( 0.0576923 0.0586499 0.7544507), wk = 0.0022272 k( 106) = ( 0.0673077 0.0684249 0.7544507), wk = 0.0022272 k( 107) = ( 0.0769231 0.0781998 0.7544507), wk = 0.0022272 k( 108) = ( 0.0865385 0.0879748 0.7544507), wk = 0.0022272 k( 109) = ( 0.0961538 0.0977498 0.7544507), wk = 0.0022272 k( 110) = ( 0.1057692 0.1075248 0.7544507), wk = 0.0022272 k( 111) = ( 0.1153846 0.1172998 0.7544507), wk = 0.0022272 k( 112) = ( 0.1250000 0.1270747 0.7544507), wk = 0.0022272 k( 113) = ( 0.1346154 0.1368497 0.7544507), wk = 0.0022272 k( 114) = ( 0.1442308 0.1466247 0.7544507), wk = 0.0022272 k( 115) = ( 0.1538461 0.1563997 0.7544507), wk = 0.0022272 k( 116) = ( 0.1634615 0.1661746 0.7544507), wk = 0.0022272 k( 117) = ( 0.1730769 0.1759496 0.7544507), wk = 0.0022272 k( 118) = ( 0.1826923 0.1857246 0.7544507), wk = 0.0022272 k( 119) = ( 0.1923077 0.1954996 0.7544507), wk = 0.0022272 k( 120) = ( 0.2019231 0.2052746 0.7544507), wk = 0.0022272 k( 121) = ( 0.2115385 0.2150495 0.7544507), wk = 0.0022272 k( 122) = ( 0.2211539 0.2248245 0.7544507), wk = 0.0022272 k( 123) = ( 0.2307692 0.2345995 0.7544507), wk = 0.0022272 k( 124) = ( 0.2403846 0.2443745 0.7544507), wk = 0.0022272 k( 125) = ( 0.2500000 0.2541495 0.7544507), wk = 0.0022272 k( 126) = ( 0.2500000 0.2541495 0.7544507), wk = 0.0022272 k( 127) = ( 0.2419355 0.2620823 0.7467663), wk = 0.0022272 k( 128) = ( 0.2338710 0.2700152 0.7390818), wk = 0.0022272 k( 129) = ( 0.2258064 0.2779480 0.7313974), wk = 0.0022272 k( 130) = ( 0.2177419 0.2858808 0.7237130), wk = 0.0022272 k( 131) = ( 0.2096774 0.2938137 0.7160285), wk = 0.0022272 k( 132) = ( 0.2016129 0.3017466 0.7083441), wk = 0.0022272 k( 133) = ( 0.1935484 0.3096794 0.7006596), wk = 0.0022272 k( 134) = ( 0.1854839 0.3176122 0.6929752), wk = 0.0022272 k( 135) = ( 0.1774194 0.3255451 0.6852908), wk = 0.0022272 k( 136) = ( 0.1693548 0.3334779 0.6776063), wk = 0.0022272 k( 137) = ( 0.1612903 0.3414108 0.6699219), wk = 0.0022272 k( 138) = ( 0.1532258 0.3493436 0.6622375), wk = 0.0022272 k( 139) = ( 0.1451613 0.3572765 0.6545530), wk = 0.0022272 k( 140) = ( 0.1370968 0.3652093 0.6468686), wk = 0.0022272 k( 141) = ( 0.1290323 0.3731422 0.6391841), wk = 0.0022272 k( 142) = ( 0.1209677 0.3810750 0.6314997), wk = 0.0022272 k( 143) = ( 0.1129032 0.3890079 0.6238153), wk = 0.0022272 k( 144) = ( 0.1048387 0.3969407 0.6161308), wk = 0.0022272 k( 145) = ( 0.0967742 0.4048736 0.6084464), wk = 0.0022272 k( 146) = ( 0.0887097 0.4128064 0.6007619), wk = 0.0022272 k( 147) = ( 0.0806452 0.4207393 0.5930775), wk = 0.0022272 k( 148) = ( 0.0725806 0.4286721 0.5853931), wk = 0.0022272 k( 149) = ( 0.0645161 0.4366050 0.5777086), wk = 0.0022272 k( 150) = ( 0.0564516 0.4445378 0.5700242), wk = 0.0022272 k( 151) = ( 0.0483871 0.4524707 0.5623398), wk = 0.0022272 k( 152) = ( 0.0403226 0.4604035 0.5546553), wk = 0.0022272 k( 153) = ( 0.0322581 0.4683364 0.5469709), wk = 0.0022272 k( 154) = ( 0.0241936 0.4762692 0.5392864), wk = 0.0022272 k( 155) = ( 0.0161290 0.4842021 0.5316020), wk = 0.0022272 k( 156) = ( 0.0080645 0.4921349 0.5239176), wk = 0.0022272 k( 157) = ( 0.0000000 0.5000677 0.5162331), wk = 0.0022272 k( 158) = ( 0.0000000 0.5000677 0.5162331), wk = 0.0022272 k( 159) = ( 0.0110527 0.5058645 0.5106179), wk = 0.0022272 k( 160) = ( 0.0221053 0.5116612 0.5050027), wk = 0.0022272 k( 161) = ( 0.0331580 0.5174579 0.4993875), wk = 0.0022272 k( 162) = ( 0.0442106 0.5232547 0.4937723), wk = 0.0022272 k( 163) = ( 0.0552633 0.5290514 0.4881571), wk = 0.0022272 k( 164) = ( 0.0663159 0.5348481 0.4825419), wk = 0.0022272 k( 165) = ( 0.0773686 0.5406448 0.4769267), wk = 0.0022272 k( 166) = ( 0.0884212 0.5464416 0.4713115), wk = 0.0022272 k( 167) = ( 0.0994739 0.5522383 0.4656962), wk = 0.0022272 k( 168) = ( 0.1105265 0.5580350 0.4600810), wk = 0.0022272 k( 169) = ( 0.1215792 0.5638318 0.4544658), wk = 0.0022272 k( 170) = ( 0.1326318 0.5696285 0.4488506), wk = 0.0022272 k( 171) = ( 0.1436845 0.5754252 0.4432354), wk = 0.0022272 k( 172) = ( 0.1547371 0.5812219 0.4376202), wk = 0.0022272 k( 173) = ( 0.1657898 0.5870187 0.4320050), wk = 0.0022272 k( 174) = ( 0.1768424 0.5928154 0.4263898), wk = 0.0022272 k( 175) = ( 0.1878951 0.5986121 0.4207746), wk = 0.0022272 k( 176) = ( 0.1989477 0.6044089 0.4151594), wk = 0.0022272 k( 177) = ( 0.2100004 0.6102056 0.4095442), wk = 0.0022272 k( 178) = ( 0.2210530 0.6160023 0.4039290), wk = 0.0022272 k( 179) = ( 0.2321057 0.6217990 0.3983137), wk = 0.0022272 k( 180) = ( 0.2431583 0.6275958 0.3926985), wk = 0.0022272 k( 181) = ( 0.2542110 0.6333925 0.3870833), wk = 0.0022272 k( 182) = ( 0.2652636 0.6391892 0.3814681), wk = 0.0022272 k( 183) = ( 0.2763163 0.6449859 0.3758529), wk = 0.0022272 k( 184) = ( 0.2873689 0.6507827 0.3702377), wk = 0.0022272 k( 185) = ( 0.2984216 0.6565794 0.3646225), wk = 0.0022272 k( 186) = ( 0.3094743 0.6623761 0.3590073), wk = 0.0022272 k( 187) = ( 0.3205269 0.6681729 0.3533921), wk = 0.0022272 k( 188) = ( 0.3315796 0.6739696 0.3477769), wk = 0.0022272 k( 189) = ( 0.3315796 0.6739696 0.3477769), wk = 0.0022272 k( 190) = ( 0.3370125 0.6686254 0.3365583), wk = 0.0022272 k( 191) = ( 0.3424454 0.6632812 0.3253396), wk = 0.0022272 k( 192) = ( 0.3478783 0.6579370 0.3141210), wk = 0.0022272 k( 193) = ( 0.3533112 0.6525927 0.3029024), wk = 0.0022272 k( 194) = ( 0.3587441 0.6472485 0.2916838), wk = 0.0022272 k( 195) = ( 0.3641771 0.6419043 0.2804652), wk = 0.0022272 k( 196) = ( 0.3696100 0.6365601 0.2692466), wk = 0.0022272 k( 197) = ( 0.3750429 0.6312159 0.2580280), wk = 0.0022272 k( 198) = ( 0.3804758 0.6258717 0.2468094), wk = 0.0022272 k( 199) = ( 0.3859087 0.6205274 0.2355908), wk = 0.0022272 k( 200) = ( 0.3913416 0.6151832 0.2243722), wk = 0.0022272 k( 201) = ( 0.3967746 0.6098390 0.2131536), wk = 0.0022272 k( 202) = ( 0.4022075 0.6044948 0.2019350), wk = 0.0022272 k( 203) = ( 0.4076404 0.5991506 0.1907163), wk = 0.0022272 k( 204) = ( 0.4130733 0.5938064 0.1794977), wk = 0.0022272 k( 205) = ( 0.4185062 0.5884622 0.1682791), wk = 0.0022272 k( 206) = ( 0.4239391 0.5831179 0.1570605), wk = 0.0022272 k( 207) = ( 0.4293721 0.5777737 0.1458419), wk = 0.0022272 k( 208) = ( 0.4348050 0.5724295 0.1346233), wk = 0.0022272 k( 209) = ( 0.4402379 0.5670853 0.1234047), wk = 0.0022272 k( 210) = ( 0.4456708 0.5617411 0.1121861), wk = 0.0022272 k( 211) = ( 0.4511037 0.5563969 0.1009675), wk = 0.0022272 k( 212) = ( 0.4565367 0.5510526 0.0897489), wk = 0.0022272 k( 213) = ( 0.4619696 0.5457084 0.0785303), wk = 0.0022272 k( 214) = ( 0.4674025 0.5403642 0.0673117), wk = 0.0022272 k( 215) = ( 0.4728354 0.5350200 0.0560930), wk = 0.0022272 k( 216) = ( 0.4782683 0.5296758 0.0448744), wk = 0.0022272 k( 217) = ( 0.4837013 0.5243316 0.0336558), wk = 0.0022272 k( 218) = ( 0.4891342 0.5189874 0.0224372), wk = 0.0022272 k( 219) = ( 0.4945671 0.5136431 0.0112186), wk = 0.0022272 k( 220) = ( 0.5000000 0.5082989 -0.0000000), wk = 0.0022272 k( 221) = ( 0.5000000 0.5082989 -0.0000000), wk = 0.0022272 k( 222) = ( 0.4903846 0.4985239 -0.0000000), wk = 0.0022272 k( 223) = ( 0.4807692 0.4887490 -0.0000000), wk = 0.0022272 k( 224) = ( 0.4711538 0.4789740 -0.0000000), wk = 0.0022272 k( 225) = ( 0.4615385 0.4691990 -0.0000000), wk = 0.0022272 k( 226) = ( 0.4519231 0.4594240 -0.0000000), wk = 0.0022272 k( 227) = ( 0.4423077 0.4496490 -0.0000000), wk = 0.0022272 k( 228) = ( 0.4326923 0.4398741 -0.0000000), wk = 0.0022272 k( 229) = ( 0.4230769 0.4300991 -0.0000000), wk = 0.0022272 k( 230) = ( 0.4134615 0.4203241 -0.0000000), wk = 0.0022272 k( 231) = ( 0.4038462 0.4105491 -0.0000000), wk = 0.0022272 k( 232) = ( 0.3942308 0.4007741 -0.0000000), wk = 0.0022272 k( 233) = ( 0.3846154 0.3909992 -0.0000000), wk = 0.0022272 k( 234) = ( 0.3750000 0.3812242 -0.0000000), wk = 0.0022272 k( 235) = ( 0.3653846 0.3714492 -0.0000000), wk = 0.0022272 k( 236) = ( 0.3557692 0.3616742 -0.0000000), wk = 0.0022272 k( 237) = ( 0.3461538 0.3518993 -0.0000000), wk = 0.0022272 k( 238) = ( 0.3365385 0.3421243 -0.0000000), wk = 0.0022272 k( 239) = ( 0.3269231 0.3323493 -0.0000000), wk = 0.0022272 k( 240) = ( 0.3173077 0.3225743 -0.0000000), wk = 0.0022272 k( 241) = ( 0.3076923 0.3127993 -0.0000000), wk = 0.0022272 k( 242) = ( 0.2980769 0.3030244 -0.0000000), wk = 0.0022272 k( 243) = ( 0.2884615 0.2932494 -0.0000000), wk = 0.0022272 k( 244) = ( 0.2788462 0.2834744 -0.0000000), wk = 0.0022272 k( 245) = ( 0.2692308 0.2736994 -0.0000000), wk = 0.0022272 k( 246) = ( 0.2596154 0.2639244 -0.0000000), wk = 0.0022272 k( 247) = ( 0.2500000 0.2541495 -0.0000000), wk = 0.0022272 k( 248) = ( 0.2403846 0.2443745 -0.0000000), wk = 0.0022272 k( 249) = ( 0.2307692 0.2345995 -0.0000000), wk = 0.0022272 k( 250) = ( 0.2211539 0.2248245 -0.0000000), wk = 0.0022272 k( 251) = ( 0.2115385 0.2150495 -0.0000000), wk = 0.0022272 k( 252) = ( 0.2019231 0.2052746 -0.0000000), wk = 0.0022272 k( 253) = ( 0.1923077 0.1954996 -0.0000000), wk = 0.0022272 k( 254) = ( 0.1826923 0.1857246 -0.0000000), wk = 0.0022272 k( 255) = ( 0.1730769 0.1759496 -0.0000000), wk = 0.0022272 k( 256) = ( 0.1634615 0.1661746 -0.0000000), wk = 0.0022272 k( 257) = ( 0.1538461 0.1563997 -0.0000000), wk = 0.0022272 k( 258) = ( 0.1442308 0.1466247 -0.0000000), wk = 0.0022272 k( 259) = ( 0.1346154 0.1368497 -0.0000000), wk = 0.0022272 k( 260) = ( 0.1250000 0.1270747 -0.0000000), wk = 0.0022272 k( 261) = ( 0.1153846 0.1172998 -0.0000000), wk = 0.0022272 k( 262) = ( 0.1057692 0.1075248 -0.0000000), wk = 0.0022272 k( 263) = ( 0.0961538 0.0977498 -0.0000000), wk = 0.0022272 k( 264) = ( 0.0865385 0.0879748 -0.0000000), wk = 0.0022272 k( 265) = ( 0.0769231 0.0781998 -0.0000000), wk = 0.0022272 k( 266) = ( 0.0673077 0.0684249 -0.0000000), wk = 0.0022272 k( 267) = ( 0.0576923 0.0586499 -0.0000000), wk = 0.0022272 k( 268) = ( 0.0480769 0.0488749 -0.0000000), wk = 0.0022272 k( 269) = ( 0.0384615 0.0390999 -0.0000000), wk = 0.0022272 k( 270) = ( 0.0288462 0.0293249 -0.0000000), wk = 0.0022272 k( 271) = ( 0.0192308 0.0195500 -0.0000000), wk = 0.0022272 k( 272) = ( 0.0096154 0.0097750 -0.0000000), wk = 0.0022272 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 274) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 275) = ( 0.0082075 -0.0080735 0.0078207), wk = 0.0022272 k( 276) = ( 0.0164149 -0.0161469 0.0156413), wk = 0.0022272 k( 277) = ( 0.0246224 -0.0242204 0.0234620), wk = 0.0022272 k( 278) = ( 0.0328299 -0.0322939 0.0312826), wk = 0.0022272 k( 279) = ( 0.0410373 -0.0403673 0.0391033), wk = 0.0022272 k( 280) = ( 0.0492448 -0.0484408 0.0469239), wk = 0.0022272 k( 281) = ( 0.0574523 -0.0565142 0.0547446), wk = 0.0022272 k( 282) = ( 0.0656597 -0.0645877 0.0625652), wk = 0.0022272 k( 283) = ( 0.0738672 -0.0726612 0.0703859), wk = 0.0022272 k( 284) = ( 0.0820747 -0.0807346 0.0782065), wk = 0.0022272 k( 285) = ( 0.0902821 -0.0888081 0.0860272), wk = 0.0022272 k( 286) = ( 0.0984896 -0.0968816 0.0938478), wk = 0.0022272 k( 287) = ( 0.1066971 -0.1049550 0.1016685), wk = 0.0022272 k( 288) = ( 0.1149045 -0.1130285 0.1094891), wk = 0.0022272 k( 289) = ( 0.1231120 -0.1211020 0.1173098), wk = 0.0022272 k( 290) = ( 0.1313195 -0.1291754 0.1251304), wk = 0.0022272 k( 291) = ( 0.1395269 -0.1372489 0.1329511), wk = 0.0022272 k( 292) = ( 0.1477344 -0.1453224 0.1407717), wk = 0.0022272 k( 293) = ( 0.1559419 -0.1533958 0.1485924), wk = 0.0022272 k( 294) = ( 0.1641493 -0.1614693 0.1564130), wk = 0.0022272 k( 295) = ( 0.1723568 -0.1695427 0.1642337), wk = 0.0022272 k( 296) = ( 0.1805643 -0.1776162 0.1720543), wk = 0.0022272 k( 297) = ( 0.1887717 -0.1856897 0.1798750), wk = 0.0022272 k( 298) = ( 0.1969792 -0.1937631 0.1876956), wk = 0.0022272 k( 299) = ( 0.2051866 -0.2018366 0.1955163), wk = 0.0022272 k( 300) = ( 0.2133941 -0.2099101 0.2033369), wk = 0.0022272 k( 301) = ( 0.2216016 -0.2179835 0.2111576), wk = 0.0022272 k( 302) = ( 0.2298090 -0.2260570 0.2189782), wk = 0.0022272 k( 303) = ( 0.2380165 -0.2341305 0.2267989), wk = 0.0022272 k( 304) = ( 0.2462240 -0.2422039 0.2346195), wk = 0.0022272 k( 305) = ( 0.2544315 -0.2502774 0.2424402), wk = 0.0022272 k( 306) = ( 0.2626389 -0.2583509 0.2502608), wk = 0.0022272 k( 307) = ( 0.2708464 -0.2664243 0.2580815), wk = 0.0022272 k( 308) = ( 0.2790538 -0.2744978 0.2659021), wk = 0.0022272 k( 309) = ( 0.2872613 -0.2825712 0.2737228), wk = 0.0022272 k( 310) = ( 0.2954688 -0.2906447 0.2815434), wk = 0.0022272 k( 311) = ( 0.3036762 -0.2987182 0.2893641), wk = 0.0022272 k( 312) = ( 0.3118837 -0.3067916 0.2971847), wk = 0.0022272 k( 313) = ( 0.3200912 -0.3148651 0.3050054), wk = 0.0022272 k( 314) = ( 0.3282987 -0.3229386 0.3128260), wk = 0.0022272 k( 315) = ( 0.3365061 -0.3310120 0.3206467), wk = 0.0022272 k( 316) = ( 0.3447136 -0.3390855 0.3284673), wk = 0.0022272 k( 317) = ( 0.3529211 -0.3471590 0.3362880), wk = 0.0022272 k( 318) = ( 0.3611285 -0.3552324 0.3441086), wk = 0.0022272 k( 319) = ( 0.3693360 -0.3633059 0.3519293), wk = 0.0022272 k( 320) = ( 0.3775434 -0.3713793 0.3597499), wk = 0.0022272 k( 321) = ( 0.3857509 -0.3794528 0.3675706), wk = 0.0022272 k( 322) = ( 0.3939584 -0.3875263 0.3753912), wk = 0.0022272 k( 323) = ( 0.4021658 -0.3955997 0.3832119), wk = 0.0022272 k( 324) = ( 0.4103733 -0.4036732 0.3910325), wk = 0.0022272 k( 325) = ( 0.4185808 -0.4117467 0.3988532), wk = 0.0022272 k( 326) = ( 0.4267882 -0.4198201 0.4066738), wk = 0.0022272 k( 327) = ( 0.4267882 -0.4198201 0.4066738), wk = 0.0022272 k( 328) = ( 0.4289415 -0.4072304 0.4017192), wk = 0.0022272 k( 329) = ( 0.4310948 -0.3946406 0.3967646), wk = 0.0022272 k( 330) = ( 0.4332481 -0.3820509 0.3918101), wk = 0.0022272 k( 331) = ( 0.4354014 -0.3694612 0.3868555), wk = 0.0022272 k( 332) = ( 0.4375547 -0.3568714 0.3819009), wk = 0.0022272 k( 333) = ( 0.4397080 -0.3442817 0.3769463), wk = 0.0022272 k( 334) = ( 0.4418612 -0.3316919 0.3719917), wk = 0.0022272 k( 335) = ( 0.4440145 -0.3191022 0.3670371), wk = 0.0022272 k( 336) = ( 0.4461678 -0.3065124 0.3620825), wk = 0.0022272 k( 337) = ( 0.4483211 -0.2939227 0.3571279), wk = 0.0022272 k( 338) = ( 0.4504744 -0.2813329 0.3521733), wk = 0.0022272 k( 339) = ( 0.4526277 -0.2687432 0.3472187), wk = 0.0022272 k( 340) = ( 0.4547810 -0.2561535 0.3422641), wk = 0.0022272 k( 341) = ( 0.4569343 -0.2435637 0.3373095), wk = 0.0022272 k( 342) = ( 0.4590876 -0.2309740 0.3323549), wk = 0.0022272 k( 343) = ( 0.4612408 -0.2183842 0.3274003), wk = 0.0022272 k( 344) = ( 0.4633941 -0.2057945 0.3224457), wk = 0.0022272 k( 345) = ( 0.4655474 -0.1932047 0.3174911), wk = 0.0022272 k( 346) = ( 0.4677007 -0.1806150 0.3125365), wk = 0.0022272 k( 347) = ( 0.4698540 -0.1680252 0.3075819), wk = 0.0022272 k( 348) = ( 0.4720073 -0.1554355 0.3026273), wk = 0.0022272 k( 349) = ( 0.4741606 -0.1428458 0.2976727), wk = 0.0022272 k( 350) = ( 0.4763138 -0.1302560 0.2927181), wk = 0.0022272 k( 351) = ( 0.4784671 -0.1176663 0.2877635), wk = 0.0022272 k( 352) = ( 0.4806204 -0.1050765 0.2828089), wk = 0.0022272 k( 353) = ( 0.4827737 -0.0924868 0.2778543), wk = 0.0022272 k( 354) = ( 0.4849270 -0.0798970 0.2728997), wk = 0.0022272 k( 355) = ( 0.4870803 -0.0673073 0.2679452), wk = 0.0022272 k( 356) = ( 0.4892336 -0.0547176 0.2629906), wk = 0.0022272 k( 357) = ( 0.4913868 -0.0421278 0.2580360), wk = 0.0022272 k( 358) = ( 0.4935401 -0.0295381 0.2530814), wk = 0.0022272 k( 359) = ( 0.4956934 -0.0169483 0.2481268), wk = 0.0022272 k( 360) = ( 0.4978467 -0.0043586 0.2431722), wk = 0.0022272 k( 361) = ( 0.5000000 0.0082312 0.2382176), wk = 0.0022272 k( 362) = ( 0.5000000 0.0082312 0.2382176), wk = 0.0022272 k( 363) = ( 0.4944444 0.0136960 0.2496894), wk = 0.0022272 k( 364) = ( 0.4888889 0.0191609 0.2611613), wk = 0.0022272 k( 365) = ( 0.4833333 0.0246257 0.2726331), wk = 0.0022272 k( 366) = ( 0.4777778 0.0300906 0.2841050), wk = 0.0022272 k( 367) = ( 0.4722222 0.0355554 0.2955768), wk = 0.0022272 k( 368) = ( 0.4666667 0.0410203 0.3070487), wk = 0.0022272 k( 369) = ( 0.4611111 0.0464851 0.3185205), wk = 0.0022272 k( 370) = ( 0.4555556 0.0519500 0.3299923), wk = 0.0022272 k( 371) = ( 0.4500000 0.0574148 0.3414642), wk = 0.0022272 k( 372) = ( 0.4444444 0.0628797 0.3529361), wk = 0.0022272 k( 373) = ( 0.4388889 0.0683445 0.3644079), wk = 0.0022272 k( 374) = ( 0.4333333 0.0738094 0.3758797), wk = 0.0022272 k( 375) = ( 0.4277778 0.0792742 0.3873516), wk = 0.0022272 k( 376) = ( 0.4222222 0.0847391 0.3988234), wk = 0.0022272 k( 377) = ( 0.4166667 0.0902039 0.4102953), wk = 0.0022272 k( 378) = ( 0.4111111 0.0956688 0.4217671), wk = 0.0022272 k( 379) = ( 0.4055556 0.1011336 0.4332390), wk = 0.0022272 k( 380) = ( 0.4000000 0.1065985 0.4447108), wk = 0.0022272 k( 381) = ( 0.3944444 0.1120633 0.4561827), wk = 0.0022272 k( 382) = ( 0.3888889 0.1175282 0.4676545), wk = 0.0022272 k( 383) = ( 0.3833333 0.1229930 0.4791264), wk = 0.0022272 k( 384) = ( 0.3777778 0.1284579 0.4905982), wk = 0.0022272 k( 385) = ( 0.3722222 0.1339227 0.5020701), wk = 0.0022272 k( 386) = ( 0.3666667 0.1393876 0.5135419), wk = 0.0022272 k( 387) = ( 0.3611111 0.1448524 0.5250138), wk = 0.0022272 k( 388) = ( 0.3555556 0.1503173 0.5364856), wk = 0.0022272 k( 389) = ( 0.3500000 0.1557821 0.5479575), wk = 0.0022272 k( 390) = ( 0.3444444 0.1612470 0.5594293), wk = 0.0022272 k( 391) = ( 0.3388889 0.1667118 0.5709011), wk = 0.0022272 k( 392) = ( 0.3333333 0.1721767 0.5823730), wk = 0.0022272 k( 393) = ( 0.3277778 0.1776415 0.5938448), wk = 0.0022272 k( 394) = ( 0.3222222 0.1831064 0.6053167), wk = 0.0022272 k( 395) = ( 0.3166667 0.1885712 0.6167885), wk = 0.0022272 k( 396) = ( 0.3111111 0.1940361 0.6282604), wk = 0.0022272 k( 397) = ( 0.3055556 0.1995009 0.6397322), wk = 0.0022272 k( 398) = ( 0.3000000 0.2049658 0.6512041), wk = 0.0022272 k( 399) = ( 0.2944444 0.2104307 0.6626759), wk = 0.0022272 k( 400) = ( 0.2888889 0.2158955 0.6741478), wk = 0.0022272 k( 401) = ( 0.2833333 0.2213604 0.6856196), wk = 0.0022272 k( 402) = ( 0.2777778 0.2268252 0.6970915), wk = 0.0022272 k( 403) = ( 0.2722222 0.2322901 0.7085633), wk = 0.0022272 k( 404) = ( 0.2666667 0.2377549 0.7200352), wk = 0.0022272 k( 405) = ( 0.2611111 0.2432198 0.7315070), wk = 0.0022272 k( 406) = ( 0.2555556 0.2486846 0.7429788), wk = 0.0022272 k( 407) = ( 0.2500000 0.2541495 0.7544507), wk = 0.0022272 k( 408) = ( 0.2583678 -0.2541495 0.7544507), wk = 0.0022272 k( 409) = ( 0.2638007 -0.2594937 0.7432321), wk = 0.0022272 k( 410) = ( 0.2692336 -0.2648379 0.7320135), wk = 0.0022272 k( 411) = ( 0.2746666 -0.2701821 0.7207949), wk = 0.0022272 k( 412) = ( 0.2800995 -0.2755263 0.7095763), wk = 0.0022272 k( 413) = ( 0.2855324 -0.2808705 0.6983577), wk = 0.0022272 k( 414) = ( 0.2909653 -0.2862148 0.6871391), wk = 0.0022272 k( 415) = ( 0.2963982 -0.2915590 0.6759204), wk = 0.0022272 k( 416) = ( 0.3018311 -0.2969032 0.6647018), wk = 0.0022272 k( 417) = ( 0.3072641 -0.3022474 0.6534832), wk = 0.0022272 k( 418) = ( 0.3126970 -0.3075916 0.6422646), wk = 0.0022272 k( 419) = ( 0.3181299 -0.3129358 0.6310460), wk = 0.0022272 k( 420) = ( 0.3235628 -0.3182800 0.6198274), wk = 0.0022272 k( 421) = ( 0.3289957 -0.3236243 0.6086088), wk = 0.0022272 k( 422) = ( 0.3344286 -0.3289685 0.5973902), wk = 0.0022272 k( 423) = ( 0.3398616 -0.3343127 0.5861716), wk = 0.0022272 k( 424) = ( 0.3452945 -0.3396569 0.5749530), wk = 0.0022272 k( 425) = ( 0.3507274 -0.3450011 0.5637344), wk = 0.0022272 k( 426) = ( 0.3561603 -0.3503453 0.5525157), wk = 0.0022272 k( 427) = ( 0.3615932 -0.3556896 0.5412971), wk = 0.0022272 k( 428) = ( 0.3670261 -0.3610338 0.5300785), wk = 0.0022272 k( 429) = ( 0.3724591 -0.3663780 0.5188599), wk = 0.0022272 k( 430) = ( 0.3778920 -0.3717222 0.5076413), wk = 0.0022272 k( 431) = ( 0.3833249 -0.3770664 0.4964227), wk = 0.0022272 k( 432) = ( 0.3887578 -0.3824106 0.4852041), wk = 0.0022272 k( 433) = ( 0.3941907 -0.3877548 0.4739855), wk = 0.0022272 k( 434) = ( 0.3996236 -0.3930991 0.4627669), wk = 0.0022272 k( 435) = ( 0.4050566 -0.3984433 0.4515483), wk = 0.0022272 k( 436) = ( 0.4104895 -0.4037875 0.4403297), wk = 0.0022272 k( 437) = ( 0.4159224 -0.4091317 0.4291111), wk = 0.0022272 k( 438) = ( 0.4213553 -0.4144759 0.4178925), wk = 0.0022272 k( 439) = ( 0.4267882 -0.4198201 0.4066738), wk = 0.0022272 k( 440) = ( 0.5732118 0.4362825 0.0697613), wk = 0.0022272 k( 441) = ( 0.5650771 0.4442843 0.0620101), wk = 0.0022272 k( 442) = ( 0.5569425 0.4522861 0.0542588), wk = 0.0022272 k( 443) = ( 0.5488078 0.4602880 0.0465075), wk = 0.0022272 k( 444) = ( 0.5406732 0.4682898 0.0387563), wk = 0.0022272 k( 445) = ( 0.5325386 0.4762916 0.0310050), wk = 0.0022272 k( 446) = ( 0.5244039 0.4842934 0.0232538), wk = 0.0022272 k( 447) = ( 0.5162693 0.4922953 0.0155025), wk = 0.0022272 k( 448) = ( 0.5081346 0.5002971 0.0077513), wk = 0.0022272 k( 449) = ( 0.5000000 0.5082989 -0.0000000), wk = 0.0022272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 2) = ( -0.0055263 0.0055263 0.0055263), wk = 0.0022272 k( 3) = ( -0.0110527 0.0110527 0.0110527), wk = 0.0022272 k( 4) = ( -0.0165790 0.0165790 0.0165790), wk = 0.0022272 k( 5) = ( -0.0221053 0.0221053 0.0221053), wk = 0.0022272 k( 6) = ( -0.0276316 0.0276316 0.0276316), wk = 0.0022272 k( 7) = ( -0.0331580 0.0331580 0.0331580), wk = 0.0022272 k( 8) = ( -0.0386843 0.0386843 0.0386843), wk = 0.0022272 k( 9) = ( -0.0442106 0.0442106 0.0442106), wk = 0.0022272 k( 10) = ( -0.0497369 0.0497369 0.0497369), wk = 0.0022272 k( 11) = ( -0.0552633 0.0552633 0.0552633), wk = 0.0022272 k( 12) = ( -0.0607896 0.0607896 0.0607896), wk = 0.0022272 k( 13) = ( -0.0663159 0.0663159 0.0663159), wk = 0.0022272 k( 14) = ( -0.0718422 0.0718422 0.0718422), wk = 0.0022272 k( 15) = ( -0.0773686 0.0773686 0.0773686), wk = 0.0022272 k( 16) = ( -0.0828949 0.0828949 0.0828949), wk = 0.0022272 k( 17) = ( -0.0884212 0.0884212 0.0884212), wk = 0.0022272 k( 18) = ( -0.0939475 0.0939475 0.0939475), wk = 0.0022272 k( 19) = ( -0.0994739 0.0994739 0.0994739), wk = 0.0022272 k( 20) = ( -0.1050002 0.1050002 0.1050002), wk = 0.0022272 k( 21) = ( -0.1105265 0.1105265 0.1105265), wk = 0.0022272 k( 22) = ( -0.1160528 0.1160528 0.1160528), wk = 0.0022272 k( 23) = ( -0.1215792 0.1215792 0.1215792), wk = 0.0022272 k( 24) = ( -0.1271055 0.1271055 0.1271055), wk = 0.0022272 k( 25) = ( -0.1326318 0.1326318 0.1326318), wk = 0.0022272 k( 26) = ( -0.1381582 0.1381582 0.1381582), wk = 0.0022272 k( 27) = ( -0.1436845 0.1436845 0.1436845), wk = 0.0022272 k( 28) = ( -0.1492108 0.1492108 0.1492108), wk = 0.0022272 k( 29) = ( -0.1547371 0.1547371 0.1547371), wk = 0.0022272 k( 30) = ( -0.1602635 0.1602635 0.1602635), wk = 0.0022272 k( 31) = ( -0.1657898 0.1657898 0.1657898), wk = 0.0022272 k( 32) = ( -0.1713161 0.1713161 0.1713161), wk = 0.0022272 k( 33) = ( -0.1768424 0.1768424 0.1768424), wk = 0.0022272 k( 34) = ( -0.1823687 0.1823687 0.1823687), wk = 0.0022272 k( 35) = ( -0.1878951 0.1878951 0.1878951), wk = 0.0022272 k( 36) = ( -0.1934214 0.1934214 0.1934214), wk = 0.0022272 k( 37) = ( -0.1989477 0.1989477 0.1989477), wk = 0.0022272 k( 38) = ( -0.2044741 0.2044741 0.2044741), wk = 0.0022272 k( 39) = ( -0.2100004 0.2100004 0.2100004), wk = 0.0022272 k( 40) = ( -0.2155267 0.2155267 0.2155267), wk = 0.0022272 k( 41) = ( -0.2210530 0.2210530 0.2210530), wk = 0.0022272 k( 42) = ( -0.2265794 0.2265794 0.2265794), wk = 0.0022272 k( 43) = ( -0.2321057 0.2321057 0.2321057), wk = 0.0022272 k( 44) = ( -0.2376320 0.2376320 0.2376320), wk = 0.0022272 k( 45) = ( -0.2431583 0.2431583 0.2431583), wk = 0.0022272 k( 46) = ( -0.2486847 0.2486847 0.2486847), wk = 0.0022272 k( 47) = ( -0.2542110 0.2542110 0.2542110), wk = 0.0022272 k( 48) = ( -0.2597373 0.2597373 0.2597373), wk = 0.0022272 k( 49) = ( -0.2652636 0.2652636 0.2652636), wk = 0.0022272 k( 50) = ( -0.2707900 0.2707900 0.2707900), wk = 0.0022272 k( 51) = ( -0.2763163 0.2763163 0.2763163), wk = 0.0022272 k( 52) = ( -0.2818426 0.2818426 0.2818426), wk = 0.0022272 k( 53) = ( -0.2873689 0.2873689 0.2873689), wk = 0.0022272 k( 54) = ( -0.2928953 0.2928953 0.2928953), wk = 0.0022272 k( 55) = ( -0.2984216 0.2984216 0.2984216), wk = 0.0022272 k( 56) = ( -0.3039479 0.3039479 0.3039479), wk = 0.0022272 k( 57) = ( -0.3094743 0.3094743 0.3094743), wk = 0.0022272 k( 58) = ( -0.3150006 0.3150006 0.3150006), wk = 0.0022272 k( 59) = ( -0.3205269 0.3205269 0.3205269), wk = 0.0022272 k( 60) = ( -0.3260532 0.3260532 0.3260532), wk = 0.0022272 k( 61) = ( -0.3315796 0.3315796 0.3315795), wk = 0.0022272 k( 62) = ( -0.3315796 0.3315796 0.3315795), wk = 0.0022272 k( 63) = ( -0.3234449 0.3234449 0.3397142), wk = 0.0022272 k( 64) = ( -0.3153103 0.3153103 0.3478488), wk = 0.0022272 k( 65) = ( -0.3071756 0.3071756 0.3559835), wk = 0.0022272 k( 66) = ( -0.2990410 0.2990410 0.3641181), wk = 0.0022272 k( 67) = ( -0.2909063 0.2909063 0.3722528), wk = 0.0022272 k( 68) = ( -0.2827717 0.2827717 0.3803874), wk = 0.0022272 k( 69) = ( -0.2746371 0.2746371 0.3885220), wk = 0.0022272 k( 70) = ( -0.2665024 0.2665024 0.3966567), wk = 0.0022272 k( 71) = ( -0.2583678 0.2583678 0.4047913), wk = 0.0022272 k( 72) = ( -0.2583678 0.2583678 0.4047913), wk = 0.0022272 k( 73) = ( -0.2484306 0.2484306 0.4084532), wk = 0.0022272 k( 74) = ( -0.2384933 0.2384934 0.4121151), wk = 0.0022272 k( 75) = ( -0.2285561 0.2285561 0.4157769), wk = 0.0022272 k( 76) = ( -0.2186189 0.2186189 0.4194388), wk = 0.0022272 k( 77) = ( -0.2086817 0.2086817 0.4231007), wk = 0.0022272 k( 78) = ( -0.1987445 0.1987445 0.4267625), wk = 0.0022272 k( 79) = ( -0.1888072 0.1888072 0.4304244), wk = 0.0022272 k( 80) = ( -0.1788700 0.1788700 0.4340863), wk = 0.0022272 k( 81) = ( -0.1689328 0.1689328 0.4377482), wk = 0.0022272 k( 82) = ( -0.1589956 0.1589956 0.4414100), wk = 0.0022272 k( 83) = ( -0.1490583 0.1490583 0.4450719), wk = 0.0022272 k( 84) = ( -0.1391211 0.1391211 0.4487338), wk = 0.0022272 k( 85) = ( -0.1291839 0.1291839 0.4523956), wk = 0.0022272 k( 86) = ( -0.1192467 0.1192467 0.4560575), wk = 0.0022272 k( 87) = ( -0.1093095 0.1093095 0.4597194), wk = 0.0022272 k( 88) = ( -0.0993722 0.0993722 0.4633813), wk = 0.0022272 k( 89) = ( -0.0894350 0.0894350 0.4670431), wk = 0.0022272 k( 90) = ( -0.0794978 0.0794978 0.4707050), wk = 0.0022272 k( 91) = ( -0.0695606 0.0695606 0.4743669), wk = 0.0022272 k( 92) = ( -0.0596233 0.0596233 0.4780288), wk = 0.0022272 k( 93) = ( -0.0496861 0.0496861 0.4816906), wk = 0.0022272 k( 94) = ( -0.0397489 0.0397489 0.4853525), wk = 0.0022272 k( 95) = ( -0.0298117 0.0298117 0.4890144), wk = 0.0022272 k( 96) = ( -0.0198744 0.0198745 0.4926762), wk = 0.0022272 k( 97) = ( -0.0099372 0.0099372 0.4963381), wk = 0.0022272 k( 98) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 100) = ( 0.0096154 0.0096154 0.4903846), wk = 0.0022272 k( 101) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0022272 k( 102) = ( 0.0288462 0.0288462 0.4711538), wk = 0.0022272 k( 103) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0022272 k( 104) = ( 0.0480769 0.0480769 0.4519231), wk = 0.0022272 k( 105) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0022272 k( 106) = ( 0.0673077 0.0673077 0.4326923), wk = 0.0022272 k( 107) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0022272 k( 108) = ( 0.0865385 0.0865385 0.4134615), wk = 0.0022272 k( 109) = ( 0.0961538 0.0961539 0.4038462), wk = 0.0022272 k( 110) = ( 0.1057692 0.1057692 0.3942308), wk = 0.0022272 k( 111) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0022272 k( 112) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022272 k( 113) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0022272 k( 114) = ( 0.1442308 0.1442308 0.3557692), wk = 0.0022272 k( 115) = ( 0.1538461 0.1538462 0.3461538), wk = 0.0022272 k( 116) = ( 0.1634615 0.1634615 0.3365385), wk = 0.0022272 k( 117) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0022272 k( 118) = ( 0.1826923 0.1826923 0.3173077), wk = 0.0022272 k( 119) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0022272 k( 120) = ( 0.2019231 0.2019231 0.2980769), wk = 0.0022272 k( 121) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0022272 k( 122) = ( 0.2211539 0.2211539 0.2788462), wk = 0.0022272 k( 123) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0022272 k( 124) = ( 0.2403846 0.2403846 0.2596154), wk = 0.0022272 k( 125) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 k( 126) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 k( 127) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0022272 k( 128) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0022272 k( 129) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0022272 k( 130) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0022272 k( 131) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0022272 k( 132) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0022272 k( 133) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0022272 k( 134) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0022272 k( 135) = ( 0.1774194 0.3225807 0.1774194), wk = 0.0022272 k( 136) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0022272 k( 137) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0022272 k( 138) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0022272 k( 139) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0022272 k( 140) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0022272 k( 141) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0022272 k( 142) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0022272 k( 143) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0022272 k( 144) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0022272 k( 145) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0022272 k( 146) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0022272 k( 147) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0022272 k( 148) = ( 0.0725806 0.4274193 0.0725806), wk = 0.0022272 k( 149) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0022272 k( 150) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0022272 k( 151) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0022272 k( 152) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0022272 k( 153) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0022272 k( 154) = ( 0.0241936 0.4758065 0.0241935), wk = 0.0022272 k( 155) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0022272 k( 156) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0022272 k( 157) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022272 k( 158) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022272 k( 159) = ( 0.0110527 0.5056140 -0.0110526), wk = 0.0022272 k( 160) = ( 0.0221053 0.5112280 -0.0221053), wk = 0.0022272 k( 161) = ( 0.0331580 0.5168420 -0.0331580), wk = 0.0022272 k( 162) = ( 0.0442106 0.5224561 -0.0442106), wk = 0.0022272 k( 163) = ( 0.0552633 0.5280701 -0.0552633), wk = 0.0022272 k( 164) = ( 0.0663159 0.5336841 -0.0663159), wk = 0.0022272 k( 165) = ( 0.0773686 0.5392981 -0.0773686), wk = 0.0022272 k( 166) = ( 0.0884212 0.5449121 -0.0884212), wk = 0.0022272 k( 167) = ( 0.0994739 0.5505261 -0.0994739), wk = 0.0022272 k( 168) = ( 0.1105265 0.5561402 -0.1105265), wk = 0.0022272 k( 169) = ( 0.1215792 0.5617542 -0.1215792), wk = 0.0022272 k( 170) = ( 0.1326318 0.5673682 -0.1326318), wk = 0.0022272 k( 171) = ( 0.1436845 0.5729822 -0.1436845), wk = 0.0022272 k( 172) = ( 0.1547371 0.5785962 -0.1547371), wk = 0.0022272 k( 173) = ( 0.1657898 0.5842102 -0.1657898), wk = 0.0022272 k( 174) = ( 0.1768424 0.5898242 -0.1768424), wk = 0.0022272 k( 175) = ( 0.1878951 0.5954383 -0.1878951), wk = 0.0022272 k( 176) = ( 0.1989477 0.6010523 -0.1989477), wk = 0.0022272 k( 177) = ( 0.2100004 0.6066663 -0.2100004), wk = 0.0022272 k( 178) = ( 0.2210530 0.6122803 -0.2210530), wk = 0.0022272 k( 179) = ( 0.2321057 0.6178943 -0.2321057), wk = 0.0022272 k( 180) = ( 0.2431583 0.6235083 -0.2431583), wk = 0.0022272 k( 181) = ( 0.2542110 0.6291223 -0.2542110), wk = 0.0022272 k( 182) = ( 0.2652636 0.6347364 -0.2652636), wk = 0.0022272 k( 183) = ( 0.2763163 0.6403504 -0.2763163), wk = 0.0022272 k( 184) = ( 0.2873689 0.6459644 -0.2873689), wk = 0.0022272 k( 185) = ( 0.2984216 0.6515784 -0.2984216), wk = 0.0022272 k( 186) = ( 0.3094743 0.6571924 -0.3094743), wk = 0.0022272 k( 187) = ( 0.3205269 0.6628064 -0.3205269), wk = 0.0022272 k( 188) = ( 0.3315796 0.6684205 -0.3315796), wk = 0.0022272 k( 189) = ( 0.3315796 0.6684205 -0.3315796), wk = 0.0022272 k( 190) = ( 0.3370125 0.6629875 -0.3370125), wk = 0.0022272 k( 191) = ( 0.3424454 0.6575546 -0.3424454), wk = 0.0022272 k( 192) = ( 0.3478783 0.6521217 -0.3478783), wk = 0.0022272 k( 193) = ( 0.3533112 0.6466888 -0.3533112), wk = 0.0022272 k( 194) = ( 0.3587441 0.6412559 -0.3587441), wk = 0.0022272 k( 195) = ( 0.3641771 0.6358229 -0.3641771), wk = 0.0022272 k( 196) = ( 0.3696100 0.6303900 -0.3696100), wk = 0.0022272 k( 197) = ( 0.3750429 0.6249571 -0.3750429), wk = 0.0022272 k( 198) = ( 0.3804758 0.6195242 -0.3804758), wk = 0.0022272 k( 199) = ( 0.3859087 0.6140913 -0.3859087), wk = 0.0022272 k( 200) = ( 0.3913416 0.6086584 -0.3913417), wk = 0.0022272 k( 201) = ( 0.3967746 0.6032254 -0.3967746), wk = 0.0022272 k( 202) = ( 0.4022075 0.5977925 -0.4022075), wk = 0.0022272 k( 203) = ( 0.4076404 0.5923596 -0.4076404), wk = 0.0022272 k( 204) = ( 0.4130733 0.5869267 -0.4130733), wk = 0.0022272 k( 205) = ( 0.4185062 0.5814938 -0.4185062), wk = 0.0022272 k( 206) = ( 0.4239391 0.5760608 -0.4239391), wk = 0.0022272 k( 207) = ( 0.4293721 0.5706279 -0.4293721), wk = 0.0022272 k( 208) = ( 0.4348050 0.5651950 -0.4348050), wk = 0.0022272 k( 209) = ( 0.4402379 0.5597621 -0.4402379), wk = 0.0022272 k( 210) = ( 0.4456708 0.5543292 -0.4456708), wk = 0.0022272 k( 211) = ( 0.4511037 0.5488963 -0.4511037), wk = 0.0022272 k( 212) = ( 0.4565367 0.5434633 -0.4565367), wk = 0.0022272 k( 213) = ( 0.4619696 0.5380304 -0.4619696), wk = 0.0022272 k( 214) = ( 0.4674025 0.5325975 -0.4674025), wk = 0.0022272 k( 215) = ( 0.4728354 0.5271646 -0.4728354), wk = 0.0022272 k( 216) = ( 0.4782683 0.5217317 -0.4782683), wk = 0.0022272 k( 217) = ( 0.4837013 0.5162988 -0.4837013), wk = 0.0022272 k( 218) = ( 0.4891342 0.5108658 -0.4891342), wk = 0.0022272 k( 219) = ( 0.4945671 0.5054329 -0.4945671), wk = 0.0022272 k( 220) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 k( 221) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 k( 222) = ( 0.4903846 0.4903846 -0.4903846), wk = 0.0022272 k( 223) = ( 0.4807692 0.4807692 -0.4807692), wk = 0.0022272 k( 224) = ( 0.4711538 0.4711539 -0.4711538), wk = 0.0022272 k( 225) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0022272 k( 226) = ( 0.4519231 0.4519231 -0.4519231), wk = 0.0022272 k( 227) = ( 0.4423077 0.4423077 -0.4423077), wk = 0.0022272 k( 228) = ( 0.4326923 0.4326923 -0.4326923), wk = 0.0022272 k( 229) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0022272 k( 230) = ( 0.4134615 0.4134615 -0.4134615), wk = 0.0022272 k( 231) = ( 0.4038462 0.4038462 -0.4038462), wk = 0.0022272 k( 232) = ( 0.3942308 0.3942308 -0.3942308), wk = 0.0022272 k( 233) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0022272 k( 234) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022272 k( 235) = ( 0.3653846 0.3653846 -0.3653846), wk = 0.0022272 k( 236) = ( 0.3557692 0.3557692 -0.3557692), wk = 0.0022272 k( 237) = ( 0.3461538 0.3461539 -0.3461539), wk = 0.0022272 k( 238) = ( 0.3365385 0.3365385 -0.3365385), wk = 0.0022272 k( 239) = ( 0.3269231 0.3269231 -0.3269231), wk = 0.0022272 k( 240) = ( 0.3173077 0.3173077 -0.3173077), wk = 0.0022272 k( 241) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0022272 k( 242) = ( 0.2980769 0.2980769 -0.2980769), wk = 0.0022272 k( 243) = ( 0.2884615 0.2884615 -0.2884615), wk = 0.0022272 k( 244) = ( 0.2788462 0.2788462 -0.2788462), wk = 0.0022272 k( 245) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0022272 k( 246) = ( 0.2596154 0.2596154 -0.2596154), wk = 0.0022272 k( 247) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022272 k( 248) = ( 0.2403846 0.2403846 -0.2403846), wk = 0.0022272 k( 249) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0022272 k( 250) = ( 0.2211539 0.2211539 -0.2211538), wk = 0.0022272 k( 251) = ( 0.2115385 0.2115385 -0.2115385), wk = 0.0022272 k( 252) = ( 0.2019231 0.2019231 -0.2019231), wk = 0.0022272 k( 253) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0022272 k( 254) = ( 0.1826923 0.1826923 -0.1826923), wk = 0.0022272 k( 255) = ( 0.1730769 0.1730769 -0.1730769), wk = 0.0022272 k( 256) = ( 0.1634615 0.1634615 -0.1634615), wk = 0.0022272 k( 257) = ( 0.1538461 0.1538462 -0.1538462), wk = 0.0022272 k( 258) = ( 0.1442308 0.1442308 -0.1442308), wk = 0.0022272 k( 259) = ( 0.1346154 0.1346154 -0.1346154), wk = 0.0022272 k( 260) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022272 k( 261) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0022272 k( 262) = ( 0.1057692 0.1057692 -0.1057692), wk = 0.0022272 k( 263) = ( 0.0961538 0.0961539 -0.0961539), wk = 0.0022272 k( 264) = ( 0.0865385 0.0865385 -0.0865385), wk = 0.0022272 k( 265) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0022272 k( 266) = ( 0.0673077 0.0673077 -0.0673077), wk = 0.0022272 k( 267) = ( 0.0576923 0.0576923 -0.0576923), wk = 0.0022272 k( 268) = ( 0.0480769 0.0480769 -0.0480769), wk = 0.0022272 k( 269) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0022272 k( 270) = ( 0.0288462 0.0288462 -0.0288462), wk = 0.0022272 k( 271) = ( 0.0192308 0.0192308 -0.0192308), wk = 0.0022272 k( 272) = ( 0.0096154 0.0096154 -0.0096154), wk = 0.0022272 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 274) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 275) = ( 0.0082075 -0.0082075 0.0082075), wk = 0.0022272 k( 276) = ( 0.0164149 -0.0164149 0.0164149), wk = 0.0022272 k( 277) = ( 0.0246224 -0.0246224 0.0246224), wk = 0.0022272 k( 278) = ( 0.0328299 -0.0328299 0.0328299), wk = 0.0022272 k( 279) = ( 0.0410373 -0.0410373 0.0410373), wk = 0.0022272 k( 280) = ( 0.0492448 -0.0492448 0.0492448), wk = 0.0022272 k( 281) = ( 0.0574523 -0.0574523 0.0574523), wk = 0.0022272 k( 282) = ( 0.0656597 -0.0656597 0.0656597), wk = 0.0022272 k( 283) = ( 0.0738672 -0.0738672 0.0738672), wk = 0.0022272 k( 284) = ( 0.0820747 -0.0820747 0.0820747), wk = 0.0022272 k( 285) = ( 0.0902821 -0.0902821 0.0902821), wk = 0.0022272 k( 286) = ( 0.0984896 -0.0984896 0.0984896), wk = 0.0022272 k( 287) = ( 0.1066971 -0.1066971 0.1066971), wk = 0.0022272 k( 288) = ( 0.1149045 -0.1149045 0.1149045), wk = 0.0022272 k( 289) = ( 0.1231120 -0.1231120 0.1231120), wk = 0.0022272 k( 290) = ( 0.1313195 -0.1313195 0.1313195), wk = 0.0022272 k( 291) = ( 0.1395269 -0.1395269 0.1395269), wk = 0.0022272 k( 292) = ( 0.1477344 -0.1477344 0.1477344), wk = 0.0022272 k( 293) = ( 0.1559419 -0.1559419 0.1559419), wk = 0.0022272 k( 294) = ( 0.1641493 -0.1641493 0.1641493), wk = 0.0022272 k( 295) = ( 0.1723568 -0.1723568 0.1723568), wk = 0.0022272 k( 296) = ( 0.1805643 -0.1805643 0.1805643), wk = 0.0022272 k( 297) = ( 0.1887717 -0.1887717 0.1887717), wk = 0.0022272 k( 298) = ( 0.1969792 -0.1969792 0.1969792), wk = 0.0022272 k( 299) = ( 0.2051866 -0.2051867 0.2051866), wk = 0.0022272 k( 300) = ( 0.2133941 -0.2133941 0.2133941), wk = 0.0022272 k( 301) = ( 0.2216016 -0.2216016 0.2216016), wk = 0.0022272 k( 302) = ( 0.2298090 -0.2298091 0.2298091), wk = 0.0022272 k( 303) = ( 0.2380165 -0.2380165 0.2380165), wk = 0.0022272 k( 304) = ( 0.2462240 -0.2462240 0.2462240), wk = 0.0022272 k( 305) = ( 0.2544315 -0.2544315 0.2544315), wk = 0.0022272 k( 306) = ( 0.2626389 -0.2626389 0.2626389), wk = 0.0022272 k( 307) = ( 0.2708464 -0.2708464 0.2708464), wk = 0.0022272 k( 308) = ( 0.2790538 -0.2790538 0.2790539), wk = 0.0022272 k( 309) = ( 0.2872613 -0.2872613 0.2872613), wk = 0.0022272 k( 310) = ( 0.2954688 -0.2954688 0.2954688), wk = 0.0022272 k( 311) = ( 0.3036762 -0.3036763 0.3036763), wk = 0.0022272 k( 312) = ( 0.3118837 -0.3118837 0.3118837), wk = 0.0022272 k( 313) = ( 0.3200912 -0.3200912 0.3200912), wk = 0.0022272 k( 314) = ( 0.3282987 -0.3282987 0.3282987), wk = 0.0022272 k( 315) = ( 0.3365061 -0.3365061 0.3365061), wk = 0.0022272 k( 316) = ( 0.3447136 -0.3447136 0.3447136), wk = 0.0022272 k( 317) = ( 0.3529211 -0.3529211 0.3529211), wk = 0.0022272 k( 318) = ( 0.3611285 -0.3611285 0.3611285), wk = 0.0022272 k( 319) = ( 0.3693360 -0.3693360 0.3693360), wk = 0.0022272 k( 320) = ( 0.3775434 -0.3775434 0.3775434), wk = 0.0022272 k( 321) = ( 0.3857509 -0.3857509 0.3857509), wk = 0.0022272 k( 322) = ( 0.3939584 -0.3939584 0.3939584), wk = 0.0022272 k( 323) = ( 0.4021658 -0.4021658 0.4021658), wk = 0.0022272 k( 324) = ( 0.4103733 -0.4103733 0.4103733), wk = 0.0022272 k( 325) = ( 0.4185808 -0.4185808 0.4185808), wk = 0.0022272 k( 326) = ( 0.4267882 -0.4267882 0.4267882), wk = 0.0022272 k( 327) = ( 0.4267882 -0.4267882 0.4267882), wk = 0.0022272 k( 328) = ( 0.4289415 -0.4142357 0.4142357), wk = 0.0022272 k( 329) = ( 0.4310948 -0.4016830 0.4016830), wk = 0.0022272 k( 330) = ( 0.4332481 -0.3891305 0.3891305), wk = 0.0022272 k( 331) = ( 0.4354014 -0.3765779 0.3765779), wk = 0.0022272 k( 332) = ( 0.4375547 -0.3640253 0.3640253), wk = 0.0022272 k( 333) = ( 0.4397080 -0.3514727 0.3514727), wk = 0.0022272 k( 334) = ( 0.4418612 -0.3389201 0.3389201), wk = 0.0022272 k( 335) = ( 0.4440145 -0.3263675 0.3263675), wk = 0.0022272 k( 336) = ( 0.4461678 -0.3138149 0.3138149), wk = 0.0022272 k( 337) = ( 0.4483211 -0.3012623 0.3012623), wk = 0.0022272 k( 338) = ( 0.4504744 -0.2887097 0.2887097), wk = 0.0022272 k( 339) = ( 0.4526277 -0.2761571 0.2761571), wk = 0.0022272 k( 340) = ( 0.4547810 -0.2636045 0.2636045), wk = 0.0022272 k( 341) = ( 0.4569343 -0.2510519 0.2510519), wk = 0.0022272 k( 342) = ( 0.4590876 -0.2384993 0.2384993), wk = 0.0022272 k( 343) = ( 0.4612408 -0.2259467 0.2259467), wk = 0.0022272 k( 344) = ( 0.4633941 -0.2133941 0.2133941), wk = 0.0022272 k( 345) = ( 0.4655474 -0.2008415 0.2008415), wk = 0.0022272 k( 346) = ( 0.4677007 -0.1882889 0.1882889), wk = 0.0022272 k( 347) = ( 0.4698540 -0.1757363 0.1757363), wk = 0.0022272 k( 348) = ( 0.4720073 -0.1631837 0.1631837), wk = 0.0022272 k( 349) = ( 0.4741606 -0.1506311 0.1506311), wk = 0.0022272 k( 350) = ( 0.4763138 -0.1380786 0.1380786), wk = 0.0022272 k( 351) = ( 0.4784671 -0.1255260 0.1255259), wk = 0.0022272 k( 352) = ( 0.4806204 -0.1129734 0.1129734), wk = 0.0022272 k( 353) = ( 0.4827737 -0.1004208 0.1004208), wk = 0.0022272 k( 354) = ( 0.4849270 -0.0878682 0.0878682), wk = 0.0022272 k( 355) = ( 0.4870803 -0.0753156 0.0753156), wk = 0.0022272 k( 356) = ( 0.4892336 -0.0627630 0.0627630), wk = 0.0022272 k( 357) = ( 0.4913868 -0.0502104 0.0502104), wk = 0.0022272 k( 358) = ( 0.4935401 -0.0376578 0.0376578), wk = 0.0022272 k( 359) = ( 0.4956934 -0.0251052 0.0251052), wk = 0.0022272 k( 360) = ( 0.4978467 -0.0125526 0.0125526), wk = 0.0022272 k( 361) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022272 k( 362) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022272 k( 363) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0022272 k( 364) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0022272 k( 365) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0022272 k( 366) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0022272 k( 367) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0022272 k( 368) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0022272 k( 369) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0022272 k( 370) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0022272 k( 371) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0022272 k( 372) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0022272 k( 373) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0022272 k( 374) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0022272 k( 375) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0022272 k( 376) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0022272 k( 377) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0022272 k( 378) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0022272 k( 379) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0022272 k( 380) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0022272 k( 381) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0022272 k( 382) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0022272 k( 383) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0022272 k( 384) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0022272 k( 385) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0022272 k( 386) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0022272 k( 387) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0022272 k( 388) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0022272 k( 389) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0022272 k( 390) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0022272 k( 391) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0022272 k( 392) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0022272 k( 393) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0022272 k( 394) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0022272 k( 395) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0022272 k( 396) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0022272 k( 397) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0022272 k( 398) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0022272 k( 399) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0022272 k( 400) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0022272 k( 401) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0022272 k( 402) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0022272 k( 403) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0022272 k( 404) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0022272 k( 405) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0022272 k( 406) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0022272 k( 407) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 k( 408) = ( 0.2583678 -0.2583678 0.5952087), wk = 0.0022272 k( 409) = ( 0.2638007 -0.2638007 0.5897758), wk = 0.0022272 k( 410) = ( 0.2692336 -0.2692336 0.5843429), wk = 0.0022272 k( 411) = ( 0.2746666 -0.2746666 0.5789099), wk = 0.0022272 k( 412) = ( 0.2800995 -0.2800995 0.5734770), wk = 0.0022272 k( 413) = ( 0.2855324 -0.2855324 0.5680441), wk = 0.0022272 k( 414) = ( 0.2909653 -0.2909653 0.5626112), wk = 0.0022272 k( 415) = ( 0.2963982 -0.2963982 0.5571783), wk = 0.0022272 k( 416) = ( 0.3018311 -0.3018311 0.5517454), wk = 0.0022272 k( 417) = ( 0.3072641 -0.3072641 0.5463124), wk = 0.0022272 k( 418) = ( 0.3126970 -0.3126970 0.5408795), wk = 0.0022272 k( 419) = ( 0.3181299 -0.3181299 0.5354466), wk = 0.0022272 k( 420) = ( 0.3235628 -0.3235628 0.5300137), wk = 0.0022272 k( 421) = ( 0.3289957 -0.3289957 0.5245808), wk = 0.0022272 k( 422) = ( 0.3344286 -0.3344286 0.5191478), wk = 0.0022272 k( 423) = ( 0.3398616 -0.3398616 0.5137149), wk = 0.0022272 k( 424) = ( 0.3452945 -0.3452945 0.5082820), wk = 0.0022272 k( 425) = ( 0.3507274 -0.3507274 0.5028491), wk = 0.0022272 k( 426) = ( 0.3561603 -0.3561603 0.4974162), wk = 0.0022272 k( 427) = ( 0.3615932 -0.3615932 0.4919832), wk = 0.0022272 k( 428) = ( 0.3670261 -0.3670262 0.4865503), wk = 0.0022272 k( 429) = ( 0.3724591 -0.3724591 0.4811174), wk = 0.0022272 k( 430) = ( 0.3778920 -0.3778920 0.4756845), wk = 0.0022272 k( 431) = ( 0.3833249 -0.3833249 0.4702516), wk = 0.0022272 k( 432) = ( 0.3887578 -0.3887578 0.4648187), wk = 0.0022272 k( 433) = ( 0.3941907 -0.3941907 0.4593858), wk = 0.0022272 k( 434) = ( 0.3996236 -0.3996237 0.4539528), wk = 0.0022272 k( 435) = ( 0.4050566 -0.4050566 0.4485199), wk = 0.0022272 k( 436) = ( 0.4104895 -0.4104895 0.4430870), wk = 0.0022272 k( 437) = ( 0.4159224 -0.4159224 0.4376541), wk = 0.0022272 k( 438) = ( 0.4213553 -0.4213553 0.4322212), wk = 0.0022272 k( 439) = ( 0.4267882 -0.4267882 0.4267882), wk = 0.0022272 k( 440) = ( 0.5732118 0.4267882 -0.4267882), wk = 0.0022272 k( 441) = ( 0.5650771 0.4349229 -0.4349229), wk = 0.0022272 k( 442) = ( 0.5569425 0.4430575 -0.4430575), wk = 0.0022272 k( 443) = ( 0.5488078 0.4511922 -0.4511922), wk = 0.0022272 k( 444) = ( 0.5406732 0.4593268 -0.4593268), wk = 0.0022272 k( 445) = ( 0.5325386 0.4674614 -0.4674614), wk = 0.0022272 k( 446) = ( 0.5244039 0.4755961 -0.4755961), wk = 0.0022272 k( 447) = ( 0.5162693 0.4837307 -0.4837307), wk = 0.0022272 k( 448) = ( 0.5081346 0.4918654 -0.4918654), wk = 0.0022272 k( 449) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 Dense grid: 37101 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 16367 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 94, 36) NL pseudopotentials 0.05 Mb ( 47, 76) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 774) G-vector shells 0.01 Mb ( 713) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 94, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.08 Mb ( 76, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AgNO2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.2 secs Computing kpt #: 2 total cpu time spent up to now is 47.0 secs Computing kpt #: 3 total cpu time spent up to now is 47.9 secs Computing kpt #: 4 total cpu time spent up to now is 48.8 secs Computing kpt #: 5 total cpu time spent up to now is 50.0 secs Computing kpt #: 6 total cpu time spent up to now is 50.8 secs Computing kpt #: 7 total cpu time spent up to now is 51.8 secs Computing kpt #: 8 total cpu time spent up to now is 52.6 secs Computing kpt #: 9 total cpu time spent up to now is 53.7 secs Computing kpt #: 10 total cpu time spent up to now is 54.9 secs Computing kpt #: 11 total cpu time spent up to now is 55.7 secs Computing kpt #: 12 total cpu time spent up to now is 56.5 secs Computing kpt #: 13 total cpu time spent up to now is 57.3 secs Computing kpt #: 14 total cpu time spent up to now is 58.4 secs Computing kpt #: 15 total cpu time spent up to now is 59.6 secs Computing kpt #: 16 total cpu time spent up to now is 60.5 secs Computing kpt #: 17 total cpu time spent up to now is 61.3 secs Computing kpt #: 18 total cpu time spent up to now is 62.0 secs Computing kpt #: 19 total cpu time spent up to now is 63.0 secs Computing kpt #: 20 total cpu time spent up to now is 64.1 secs Computing kpt #: 21 total cpu time spent up to now is 64.8 secs Computing kpt #: 22 total cpu time spent up to now is 65.5 secs Computing kpt #: 23 total cpu time spent up to now is 66.2 secs Computing kpt #: 24 total cpu time spent up to now is 66.9 secs Computing kpt #: 25 total cpu time spent up to now is 67.5 secs Computing kpt #: 26 total cpu time spent up to now is 68.4 secs Computing kpt #: 27 total cpu time spent up to now is 69.6 secs Computing kpt #: 28 total cpu time spent up to now is 70.2 secs Computing kpt #: 29 total cpu time spent up to now is 70.8 secs Computing kpt #: 30 total cpu time spent up to now is 71.5 secs Computing kpt #: 31 total cpu time spent up to now is 72.1 secs Computing kpt #: 32 total cpu time spent up to now is 72.7 secs Computing kpt #: 33 total cpu time spent up to now is 73.5 secs Computing kpt #: 34 total cpu time spent up to now is 74.6 secs Computing kpt #: 35 total cpu time spent up to now is 75.2 secs Computing kpt #: 36 total cpu time spent up to now is 75.9 secs Computing kpt #: 37 total cpu time spent up to now is 76.6 secs Computing kpt #: 38 total cpu time spent up to now is 77.2 secs Computing kpt #: 39 total cpu time spent up to now is 77.8 secs Computing kpt #: 40 total cpu time spent up to now is 78.6 secs Computing kpt #: 41 total cpu time spent up to now is 79.7 secs Computing kpt #: 42 total cpu time spent up to now is 80.3 secs Computing kpt #: 43 total cpu time spent up to now is 80.9 secs Computing kpt #: 44 total cpu time spent up to now is 81.6 secs Computing kpt #: 45 total cpu time spent up to now is 82.3 secs Computing kpt #: 46 total cpu time spent up to now is 83.1 secs Computing kpt #: 47 total cpu time spent up to now is 84.1 secs Computing kpt #: 48 total cpu time spent up to now is 84.7 secs Computing kpt #: 49 total cpu time spent up to now is 85.3 secs Computing kpt #: 50 total cpu time spent up to now is 85.9 secs Computing kpt #: 51 total cpu time spent up to now is 86.5 secs Computing kpt #: 52 total cpu time spent up to now is 87.1 secs Computing kpt #: 53 total cpu time spent up to now is 87.7 secs Computing kpt #: 54 total cpu time spent up to now is 88.9 secs Computing kpt #: 55 total cpu time spent up to now is 89.5 secs Computing kpt #: 56 total cpu time spent up to now is 90.1 secs Computing kpt #: 57 total cpu time spent up to now is 90.7 secs Computing kpt #: 58 total cpu time spent up to now is 91.3 secs Computing kpt #: 59 total cpu time spent up to now is 91.8 secs Computing kpt #: 60 total cpu time spent up to now is 92.6 secs Computing kpt #: 61 total cpu time spent up to now is 93.6 secs Computing kpt #: 62 total cpu time spent up to now is 94.2 secs Computing kpt #: 63 total cpu time spent up to now is 94.8 secs Computing kpt #: 64 total cpu time spent up to now is 95.4 secs Computing kpt #: 65 total cpu time spent up to now is 96.0 secs Computing kpt #: 66 total cpu time spent up to now is 97.2 secs Computing kpt #: 67 total cpu time spent up to now is 97.8 secs Computing kpt #: 68 total cpu time spent up to now is 98.3 secs Computing kpt #: 69 total cpu time spent up to now is 99.0 secs Computing kpt #: 70 total cpu time spent up to now is 99.6 secs Computing kpt #: 71 total cpu time spent up to now is 100.2 secs Computing kpt #: 72 total cpu time spent up to now is 101.1 secs Computing kpt #: 73 total cpu time spent up to now is 102.2 secs Computing kpt #: 74 total cpu time spent up to now is 102.8 secs Computing kpt #: 75 total cpu time spent up to now is 103.5 secs Computing kpt #: 76 total cpu time spent up to now is 104.4 secs Computing kpt #: 77 total cpu time spent up to now is 105.0 secs Computing kpt #: 78 total cpu time spent up to now is 106.3 secs Computing kpt #: 79 total cpu time spent up to now is 106.9 secs Computing kpt #: 80 total cpu time spent up to now is 107.7 secs Computing kpt #: 81 total cpu time spent up to now is 108.5 secs Computing kpt #: 82 total cpu time spent up to now is 109.3 secs Computing kpt #: 83 total cpu time spent up to now is 110.5 secs Computing kpt #: 84 total cpu time spent up to now is 111.2 secs Computing kpt #: 85 total cpu time spent up to now is 112.0 secs Computing kpt #: 86 total cpu time spent up to now is 112.8 secs Computing kpt #: 87 total cpu time spent up to now is 113.9 secs Computing kpt #: 88 total cpu time spent up to now is 114.8 secs Computing kpt #: 89 total cpu time spent up to now is 115.5 secs Computing kpt #: 90 total cpu time spent up to now is 116.1 secs Computing kpt #: 91 total cpu time spent up to now is 116.9 secs Computing kpt #: 92 total cpu time spent up to now is 117.9 secs Computing kpt #: 93 total cpu time spent up to now is 119.1 secs Computing kpt #: 94 total cpu time spent up to now is 119.8 secs Computing kpt #: 95 total cpu time spent up to now is 120.5 secs Computing kpt #: 96 total cpu time spent up to now is 121.2 secs Computing kpt #: 97 total cpu time spent up to now is 121.9 secs Computing kpt #: 98 total cpu time spent up to now is 123.3 secs Computing kpt #: 99 total cpu time spent up to now is 124.1 secs Computing kpt #: 100 total cpu time spent up to now is 124.8 secs Computing kpt #: 101 total cpu time spent up to now is 125.6 secs Computing kpt #: 102 total cpu time spent up to now is 126.9 secs Computing kpt #: 103 total cpu time spent up to now is 127.6 secs Computing kpt #: 104 total cpu time spent up to now is 128.3 secs Computing kpt #: 105 total cpu time spent up to now is 129.1 secs Computing kpt #: 106 total cpu time spent up to now is 129.8 secs Computing kpt #: 107 total cpu time spent up to now is 130.7 secs Computing kpt #: 108 total cpu time spent up to now is 131.7 secs Computing kpt #: 109 total cpu time spent up to now is 132.4 secs Computing kpt #: 110 total cpu time spent up to now is 133.1 secs Computing kpt #: 111 total cpu time spent up to now is 134.1 secs Computing kpt #: 112 total cpu time spent up to now is 135.0 secs Computing kpt #: 113 total cpu time spent up to now is 135.6 secs Computing kpt #: 114 total cpu time spent up to now is 136.2 secs Computing kpt #: 115 total cpu time spent up to now is 137.0 secs Computing kpt #: 116 total cpu time spent up to now is 137.7 secs Computing kpt #: 117 total cpu time spent up to now is 138.9 secs Computing kpt #: 118 total cpu time spent up to now is 139.5 secs Computing kpt #: 119 total cpu time spent up to now is 140.1 secs Computing kpt #: 120 total cpu time spent up to now is 140.7 secs Computing kpt #: 121 total cpu time spent up to now is 141.3 secs Computing kpt #: 122 total cpu time spent up to now is 141.9 secs Computing kpt #: 123 total cpu time spent up to now is 142.6 secs Computing kpt #: 124 total cpu time spent up to now is 143.8 secs Computing kpt #: 125 total cpu time spent up to now is 144.4 secs Computing kpt #: 126 total cpu time spent up to now is 144.9 secs Computing kpt #: 127 total cpu time spent up to now is 145.5 secs Computing kpt #: 128 total cpu time spent up to now is 146.1 secs Computing kpt #: 129 total cpu time spent up to now is 147.4 secs Computing kpt #: 130 total cpu time spent up to now is 148.1 secs Computing kpt #: 131 total cpu time spent up to now is 148.7 secs Computing kpt #: 132 total cpu time spent up to now is 149.3 secs Computing kpt #: 133 total cpu time spent up to now is 149.9 secs Computing kpt #: 134 total cpu time spent up to now is 150.5 secs Computing kpt #: 135 total cpu time spent up to now is 151.0 secs Computing kpt #: 136 total cpu time spent up to now is 152.3 secs Computing kpt #: 137 total cpu time spent up to now is 152.9 secs Computing kpt #: 138 total cpu time spent up to now is 153.6 secs Computing kpt #: 139 total cpu time spent up to now is 154.2 secs Computing kpt #: 140 total cpu time spent up to now is 154.8 secs Computing kpt #: 141 total cpu time spent up to now is 155.5 secs Computing kpt #: 142 total cpu time spent up to now is 156.8 secs Computing kpt #: 143 total cpu time spent up to now is 157.5 secs Computing kpt #: 144 total cpu time spent up to now is 158.1 secs Computing kpt #: 145 total cpu time spent up to now is 158.7 secs Computing kpt #: 146 total cpu time spent up to now is 159.4 secs Computing kpt #: 147 total cpu time spent up to now is 160.6 secs Computing kpt #: 148 total cpu time spent up to now is 161.3 secs Computing kpt #: 149 total cpu time spent up to now is 162.1 secs Computing kpt #: 150 total cpu time spent up to now is 162.7 secs Computing kpt #: 151 total cpu time spent up to now is 163.3 secs Computing kpt #: 152 total cpu time spent up to now is 164.6 secs Computing kpt #: 153 total cpu time spent up to now is 165.3 secs Computing kpt #: 154 total cpu time spent up to now is 165.9 secs Computing kpt #: 155 total cpu time spent up to now is 167.0 secs Computing kpt #: 156 total cpu time spent up to now is 167.8 secs Computing kpt #: 157 total cpu time spent up to now is 168.9 secs Computing kpt #: 158 total cpu time spent up to now is 169.5 secs Computing kpt #: 159 total cpu time spent up to now is 170.2 secs Computing kpt #: 160 total cpu time spent up to now is 170.8 secs Computing kpt #: 161 total cpu time spent up to now is 171.7 secs Computing kpt #: 162 total cpu time spent up to now is 172.5 secs Computing kpt #: 163 total cpu time spent up to now is 173.6 secs Computing kpt #: 164 total cpu time spent up to now is 174.3 secs Computing kpt #: 165 total cpu time spent up to now is 175.0 secs Computing kpt #: 166 total cpu time spent up to now is 175.9 secs Computing kpt #: 167 total cpu time spent up to now is 176.6 secs Computing kpt #: 168 total cpu time spent up to now is 177.9 secs Computing kpt #: 169 total cpu time spent up to now is 178.7 secs Computing kpt #: 170 total cpu time spent up to now is 179.5 secs Computing kpt #: 171 total cpu time spent up to now is 180.4 secs Computing kpt #: 172 total cpu time spent up to now is 181.6 secs Computing kpt #: 173 total cpu time spent up to now is 182.2 secs Computing kpt #: 174 total cpu time spent up to now is 183.0 secs Computing kpt #: 175 total cpu time spent up to now is 183.8 secs Computing kpt #: 176 total cpu time spent up to now is 185.0 secs Computing kpt #: 177 total cpu time spent up to now is 185.6 secs Computing kpt #: 178 total cpu time spent up to now is 186.2 secs Computing kpt #: 179 total cpu time spent up to now is 186.9 secs Computing kpt #: 180 total cpu time spent up to now is 187.7 secs Computing kpt #: 181 total cpu time spent up to now is 188.7 secs Computing kpt #: 182 total cpu time spent up to now is 189.4 secs Computing kpt #: 183 total cpu time spent up to now is 190.1 secs Computing kpt #: 184 total cpu time spent up to now is 190.7 secs Computing kpt #: 185 total cpu time spent up to now is 191.3 secs Computing kpt #: 186 total cpu time spent up to now is 192.1 secs Computing kpt #: 187 total cpu time spent up to now is 193.1 secs Computing kpt #: 188 total cpu time spent up to now is 193.7 secs Computing kpt #: 189 total cpu time spent up to now is 194.3 secs Computing kpt #: 190 total cpu time spent up to now is 194.9 secs Computing kpt #: 191 total cpu time spent up to now is 195.5 secs Computing kpt #: 192 total cpu time spent up to now is 196.3 secs Computing kpt #: 193 total cpu time spent up to now is 197.4 secs Computing kpt #: 194 total cpu time spent up to now is 197.9 secs Computing kpt #: 195 total cpu time spent up to now is 198.5 secs Computing kpt #: 196 total cpu time spent up to now is 199.1 secs Computing kpt #: 197 total cpu time spent up to now is 200.0 secs Computing kpt #: 198 total cpu time spent up to now is 201.0 secs Computing kpt #: 199 total cpu time spent up to now is 201.7 secs Computing kpt #: 200 total cpu time spent up to now is 202.5 secs Computing kpt #: 201 total cpu time spent up to now is 203.4 secs Computing kpt #: 202 total cpu time spent up to now is 204.5 secs Computing kpt #: 203 total cpu time spent up to now is 205.2 secs Computing kpt #: 204 total cpu time spent up to now is 205.9 secs Computing kpt #: 205 total cpu time spent up to now is 206.8 secs Computing kpt #: 206 total cpu time spent up to now is 207.9 secs Computing kpt #: 207 total cpu time spent up to now is 208.6 secs Computing kpt #: 208 total cpu time spent up to now is 209.3 secs Computing kpt #: 209 total cpu time spent up to now is 210.0 secs Computing kpt #: 210 total cpu time spent up to now is 210.9 secs Computing kpt #: 211 total cpu time spent up to now is 212.0 secs Computing kpt #: 212 total cpu time spent up to now is 212.7 secs Computing kpt #: 213 total cpu time spent up to now is 213.4 secs Computing kpt #: 214 total cpu time spent up to now is 214.4 secs Computing kpt #: 215 total cpu time spent up to now is 215.5 secs Computing kpt #: 216 total cpu time spent up to now is 216.1 secs Computing kpt #: 217 total cpu time spent up to now is 216.8 secs Computing kpt #: 218 total cpu time spent up to now is 217.7 secs Computing kpt #: 219 total cpu time spent up to now is 218.4 secs Computing kpt #: 220 total cpu time spent up to now is 219.5 secs Computing kpt #: 221 total cpu time spent up to now is 220.1 secs Computing kpt #: 222 total cpu time spent up to now is 220.9 secs Computing kpt #: 223 total cpu time spent up to now is 221.8 secs Computing kpt #: 224 total cpu time spent up to now is 222.9 secs Computing kpt #: 225 total cpu time spent up to now is 223.5 secs Computing kpt #: 226 total cpu time spent up to now is 224.2 secs Computing kpt #: 227 total cpu time spent up to now is 225.4 secs Computing kpt #: 228 total cpu time spent up to now is 226.6 secs Computing kpt #: 229 total cpu time spent up to now is 227.3 secs Computing kpt #: 230 total cpu time spent up to now is 228.2 secs Computing kpt #: 231 total cpu time spent up to now is 228.8 secs Computing kpt #: 232 total cpu time spent up to now is 229.8 secs Computing kpt #: 233 total cpu time spent up to now is 230.5 secs Computing kpt #: 234 total cpu time spent up to now is 231.1 secs Computing kpt #: 235 total cpu time spent up to now is 231.7 secs Computing kpt #: 236 total cpu time spent up to now is 232.9 secs Computing kpt #: 237 total cpu time spent up to now is 233.5 secs Computing kpt #: 238 total cpu time spent up to now is 234.2 secs Computing kpt #: 239 total cpu time spent up to now is 234.7 secs Computing kpt #: 240 total cpu time spent up to now is 235.5 secs Computing kpt #: 241 total cpu time spent up to now is 236.1 secs Computing kpt #: 242 total cpu time spent up to now is 237.1 secs Computing kpt #: 243 total cpu time spent up to now is 238.3 secs Computing kpt #: 244 total cpu time spent up to now is 239.3 secs Computing kpt #: 245 total cpu time spent up to now is 239.9 secs Computing kpt #: 246 total cpu time spent up to now is 240.9 secs Computing kpt #: 247 total cpu time spent up to now is 241.5 secs Computing kpt #: 248 total cpu time spent up to now is 242.1 secs Computing kpt #: 249 total cpu time spent up to now is 242.9 secs Computing kpt #: 250 total cpu time spent up to now is 243.5 secs Computing kpt #: 251 total cpu time spent up to now is 244.7 secs Computing kpt #: 252 total cpu time spent up to now is 245.3 secs Computing kpt #: 253 total cpu time spent up to now is 245.9 secs Computing kpt #: 254 total cpu time spent up to now is 246.7 secs Computing kpt #: 255 total cpu time spent up to now is 247.8 secs Computing kpt #: 256 total cpu time spent up to now is 248.4 secs Computing kpt #: 257 total cpu time spent up to now is 249.0 secs Computing kpt #: 258 total cpu time spent up to now is 250.0 secs Computing kpt #: 259 total cpu time spent up to now is 250.6 secs Computing kpt #: 260 total cpu time spent up to now is 251.7 secs Computing kpt #: 261 total cpu time spent up to now is 252.3 secs Computing kpt #: 262 total cpu time spent up to now is 253.0 secs Computing kpt #: 263 total cpu time spent up to now is 253.9 secs Computing kpt #: 264 total cpu time spent up to now is 255.0 secs Computing kpt #: 265 total cpu time spent up to now is 255.7 secs Computing kpt #: 266 total cpu time spent up to now is 256.5 secs Computing kpt #: 267 total cpu time spent up to now is 257.3 secs Computing kpt #: 268 total cpu time spent up to now is 258.4 secs Computing kpt #: 269 total cpu time spent up to now is 259.1 secs Computing kpt #: 270 total cpu time spent up to now is 259.7 secs Computing kpt #: 271 total cpu time spent up to now is 260.6 secs Computing kpt #: 272 total cpu time spent up to now is 261.9 secs Computing kpt #: 273 total cpu time spent up to now is 262.6 secs Computing kpt #: 274 total cpu time spent up to now is 263.4 secs Computing kpt #: 275 total cpu time spent up to now is 264.7 secs Computing kpt #: 276 total cpu time spent up to now is 265.5 secs Computing kpt #: 277 total cpu time spent up to now is 266.1 secs Computing kpt #: 278 total cpu time spent up to now is 267.0 secs Computing kpt #: 279 total cpu time spent up to now is 268.1 secs Computing kpt #: 280 total cpu time spent up to now is 268.8 secs Computing kpt #: 281 total cpu time spent up to now is 269.5 secs Computing kpt #: 282 total cpu time spent up to now is 270.3 secs Computing kpt #: 283 total cpu time spent up to now is 271.4 secs Computing kpt #: 284 total cpu time spent up to now is 272.0 secs Computing kpt #: 285 total cpu time spent up to now is 272.8 secs Computing kpt #: 286 total cpu time spent up to now is 273.5 secs Computing kpt #: 287 total cpu time spent up to now is 274.5 secs Computing kpt #: 288 total cpu time spent up to now is 275.1 secs Computing kpt #: 289 total cpu time spent up to now is 275.7 secs Computing kpt #: 290 total cpu time spent up to now is 276.6 secs Computing kpt #: 291 total cpu time spent up to now is 277.1 secs Computing kpt #: 292 total cpu time spent up to now is 278.2 secs Computing kpt #: 293 total cpu time spent up to now is 279.0 secs Computing kpt #: 294 total cpu time spent up to now is 279.6 secs Computing kpt #: 295 total cpu time spent up to now is 280.3 secs Computing kpt #: 296 total cpu time spent up to now is 281.0 secs Computing kpt #: 297 total cpu time spent up to now is 282.3 secs Computing kpt #: 298 total cpu time spent up to now is 283.3 secs Computing kpt #: 299 total cpu time spent up to now is 284.0 secs Computing kpt #: 300 total cpu time spent up to now is 285.0 secs Computing kpt #: 301 total cpu time spent up to now is 285.7 secs Computing kpt #: 302 total cpu time spent up to now is 286.3 secs Computing kpt #: 303 total cpu time spent up to now is 286.9 secs Computing kpt #: 304 total cpu time spent up to now is 288.1 secs Computing kpt #: 305 total cpu time spent up to now is 288.7 secs Computing kpt #: 306 total cpu time spent up to now is 289.4 secs Computing kpt #: 307 total cpu time spent up to now is 290.0 secs Computing kpt #: 308 total cpu time spent up to now is 290.5 secs Computing kpt #: 309 total cpu time spent up to now is 291.6 secs Computing kpt #: 310 total cpu time spent up to now is 292.3 secs Computing kpt #: 311 total cpu time spent up to now is 293.1 secs Computing kpt #: 312 total cpu time spent up to now is 293.6 secs Computing kpt #: 313 total cpu time spent up to now is 294.6 secs Computing kpt #: 314 total cpu time spent up to now is 295.2 secs Computing kpt #: 315 total cpu time spent up to now is 295.9 secs Computing kpt #: 316 total cpu time spent up to now is 296.5 secs Computing kpt #: 317 total cpu time spent up to now is 297.2 secs Computing kpt #: 318 total cpu time spent up to now is 298.0 secs Computing kpt #: 319 total cpu time spent up to now is 298.8 secs Computing kpt #: 320 total cpu time spent up to now is 299.4 secs Computing kpt #: 321 total cpu time spent up to now is 300.1 secs Computing kpt #: 322 total cpu time spent up to now is 300.7 secs Computing kpt #: 323 total cpu time spent up to now is 301.3 secs Computing kpt #: 324 total cpu time spent up to now is 302.4 secs Computing kpt #: 325 total cpu time spent up to now is 303.0 secs Computing kpt #: 326 total cpu time spent up to now is 303.7 secs Computing kpt #: 327 total cpu time spent up to now is 304.4 secs Computing kpt #: 328 total cpu time spent up to now is 305.0 secs Computing kpt #: 329 total cpu time spent up to now is 306.0 secs Computing kpt #: 330 total cpu time spent up to now is 306.5 secs Computing kpt #: 331 total cpu time spent up to now is 307.4 secs Computing kpt #: 332 total cpu time spent up to now is 308.0 secs Computing kpt #: 333 total cpu time spent up to now is 308.6 secs Computing kpt #: 334 total cpu time spent up to now is 309.6 secs Computing kpt #: 335 total cpu time spent up to now is 310.2 secs Computing kpt #: 336 total cpu time spent up to now is 311.0 secs Computing kpt #: 337 total cpu time spent up to now is 311.6 secs Computing kpt #: 338 total cpu time spent up to now is 312.2 secs Computing kpt #: 339 total cpu time spent up to now is 313.3 secs Computing kpt #: 340 total cpu time spent up to now is 314.1 secs Computing kpt #: 341 total cpu time spent up to now is 314.7 secs Computing kpt #: 342 total cpu time spent up to now is 315.4 secs Computing kpt #: 343 total cpu time spent up to now is 316.4 secs Computing kpt #: 344 total cpu time spent up to now is 317.0 secs Computing kpt #: 345 total cpu time spent up to now is 317.8 secs Computing kpt #: 346 total cpu time spent up to now is 318.5 secs Computing kpt #: 347 total cpu time spent up to now is 319.1 secs Computing kpt #: 348 total cpu time spent up to now is 320.2 secs Computing kpt #: 349 total cpu time spent up to now is 321.1 secs Computing kpt #: 350 total cpu time spent up to now is 321.7 secs Computing kpt #: 351 total cpu time spent up to now is 322.4 secs Computing kpt #: 352 total cpu time spent up to now is 323.5 secs Computing kpt #: 353 total cpu time spent up to now is 324.2 secs Computing kpt #: 354 total cpu time spent up to now is 325.0 secs Computing kpt #: 355 total cpu time spent up to now is 325.7 secs Computing kpt #: 356 total cpu time spent up to now is 326.4 secs Computing kpt #: 357 total cpu time spent up to now is 328.0 secs Computing kpt #: 358 total cpu time spent up to now is 328.8 secs Computing kpt #: 359 total cpu time spent up to now is 329.6 secs Computing kpt #: 360 total cpu time spent up to now is 330.7 secs Computing kpt #: 361 total cpu time spent up to now is 331.6 secs Computing kpt #: 362 total cpu time spent up to now is 332.2 secs Computing kpt #: 363 total cpu time spent up to now is 332.9 secs Computing kpt #: 364 total cpu time spent up to now is 334.0 secs Computing kpt #: 365 total cpu time spent up to now is 334.7 secs Computing kpt #: 366 total cpu time spent up to now is 335.6 secs Computing kpt #: 367 total cpu time spent up to now is 336.3 secs Computing kpt #: 368 total cpu time spent up to now is 337.4 secs Computing kpt #: 369 total cpu time spent up to now is 338.3 secs Computing kpt #: 370 total cpu time spent up to now is 339.0 secs Computing kpt #: 371 total cpu time spent up to now is 339.7 secs Computing kpt #: 372 total cpu time spent up to now is 340.8 secs Computing kpt #: 373 total cpu time spent up to now is 341.8 secs Computing kpt #: 374 total cpu time spent up to now is 342.5 secs Computing kpt #: 375 total cpu time spent up to now is 343.7 secs Computing kpt #: 376 total cpu time spent up to now is 344.8 secs Computing kpt #: 377 total cpu time spent up to now is 345.6 secs Computing kpt #: 378 total cpu time spent up to now is 346.9 secs Computing kpt #: 379 total cpu time spent up to now is 347.9 secs Computing kpt #: 380 total cpu time spent up to now is 348.8 secs Computing kpt #: 381 total cpu time spent up to now is 349.9 secs Computing kpt #: 382 total cpu time spent up to now is 350.8 secs Computing kpt #: 383 total cpu time spent up to now is 351.5 secs Computing kpt #: 384 total cpu time spent up to now is 352.6 secs Computing kpt #: 385 total cpu time spent up to now is 353.5 secs Computing kpt #: 386 total cpu time spent up to now is 354.1 secs Computing kpt #: 387 total cpu time spent up to now is 354.7 secs Computing kpt #: 388 total cpu time spent up to now is 355.8 secs Computing kpt #: 389 total cpu time spent up to now is 356.6 secs Computing kpt #: 390 total cpu time spent up to now is 357.3 secs Computing kpt #: 391 total cpu time spent up to now is 358.3 secs Computing kpt #: 392 total cpu time spent up to now is 359.0 secs Computing kpt #: 393 total cpu time spent up to now is 359.8 secs Computing kpt #: 394 total cpu time spent up to now is 360.3 secs Computing kpt #: 395 total cpu time spent up to now is 361.3 secs Computing kpt #: 396 total cpu time spent up to now is 362.1 secs Computing kpt #: 397 total cpu time spent up to now is 362.8 secs Computing kpt #: 398 total cpu time spent up to now is 363.4 secs Computing kpt #: 399 total cpu time spent up to now is 364.1 secs Computing kpt #: 400 total cpu time spent up to now is 365.1 secs Computing kpt #: 401 total cpu time spent up to now is 365.9 secs Computing kpt #: 402 total cpu time spent up to now is 366.5 secs Computing kpt #: 403 total cpu time spent up to now is 367.5 secs Computing kpt #: 404 total cpu time spent up to now is 368.3 secs Computing kpt #: 405 total cpu time spent up to now is 369.0 secs Computing kpt #: 406 total cpu time spent up to now is 369.6 secs Computing kpt #: 407 total cpu time spent up to now is 370.6 secs Computing kpt #: 408 total cpu time spent up to now is 371.4 secs Computing kpt #: 409 total cpu time spent up to now is 372.0 secs Computing kpt #: 410 total cpu time spent up to now is 372.6 secs Computing kpt #: 411 total cpu time spent up to now is 373.9 secs Computing kpt #: 412 total cpu time spent up to now is 374.5 secs Computing kpt #: 413 total cpu time spent up to now is 375.1 secs Computing kpt #: 414 total cpu time spent up to now is 375.9 secs Computing kpt #: 415 total cpu time spent up to now is 377.0 secs Computing kpt #: 416 total cpu time spent up to now is 377.6 secs Computing kpt #: 417 total cpu time spent up to now is 378.2 secs Computing kpt #: 418 total cpu time spent up to now is 379.5 secs Computing kpt #: 419 total cpu time spent up to now is 380.2 secs Computing kpt #: 420 total cpu time spent up to now is 380.8 secs Computing kpt #: 421 total cpu time spent up to now is 381.9 secs Computing kpt #: 422 total cpu time spent up to now is 382.8 secs Computing kpt #: 423 total cpu time spent up to now is 383.4 secs Computing kpt #: 424 total cpu time spent up to now is 384.2 secs Computing kpt #: 425 total cpu time spent up to now is 385.2 secs Computing kpt #: 426 total cpu time spent up to now is 386.1 secs Computing kpt #: 427 total cpu time spent up to now is 386.7 secs Computing kpt #: 428 total cpu time spent up to now is 387.4 secs Computing kpt #: 429 total cpu time spent up to now is 388.8 secs Computing kpt #: 430 total cpu time spent up to now is 389.5 secs Computing kpt #: 431 total cpu time spent up to now is 390.1 secs Computing kpt #: 432 total cpu time spent up to now is 391.4 secs Computing kpt #: 433 total cpu time spent up to now is 392.0 secs Computing kpt #: 434 total cpu time spent up to now is 392.6 secs Computing kpt #: 435 total cpu time spent up to now is 393.2 secs Computing kpt #: 436 total cpu time spent up to now is 394.3 secs Computing kpt #: 437 total cpu time spent up to now is 395.1 secs Computing kpt #: 438 total cpu time spent up to now is 395.7 secs Computing kpt #: 439 total cpu time spent up to now is 396.3 secs Computing kpt #: 440 total cpu time spent up to now is 397.3 secs Computing kpt #: 441 total cpu time spent up to now is 398.0 secs Computing kpt #: 442 total cpu time spent up to now is 398.6 secs Computing kpt #: 443 total cpu time spent up to now is 399.2 secs Computing kpt #: 444 total cpu time spent up to now is 400.2 secs Computing kpt #: 445 total cpu time spent up to now is 401.0 secs Computing kpt #: 446 total cpu time spent up to now is 401.7 secs Computing kpt #: 447 total cpu time spent up to now is 402.3 secs Computing kpt #: 448 total cpu time spent up to now is 403.4 secs Computing kpt #: 449 total cpu time spent up to now is 404.2 secs ethr = 3.57E-11, avg # of iterations = 20.8 total cpu time spent up to now is 404.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2025 PWs) bands (ev): -22.5302 -22.5302 -17.8260 -17.8260 -5.6182 -5.6182 -4.0268 -4.0268 -3.4829 -3.4829 -3.2248 -3.2248 1.1602 1.1602 1.3005 1.3005 1.7864 1.7864 2.3864 2.3864 2.6715 2.6715 3.4999 3.4999 3.7075 3.7075 4.5450 4.5450 8.3005 8.3005 8.6204 8.6204 14.6875 14.6875 14.9768 14.9768 k =-0.0055 0.0054 0.0114 ( 2033 PWs) bands (ev): -22.5301 -22.5301 -17.8260 -17.8260 -5.6183 -5.6180 -4.0269 -4.0269 -3.4835 -3.4832 -3.2249 -3.2247 1.1559 1.1627 1.2989 1.3038 1.7846 1.7883 2.3835 2.3900 2.6707 2.6720 3.4904 3.5086 3.6988 3.7164 4.5455 4.5456 8.2970 8.3014 8.6193 8.6245 14.6865 14.6888 14.9784 14.9786 k =-0.0111 0.0109 0.0228 ( 2035 PWs) bands (ev): -22.5300 -22.5300 -17.8260 -17.8260 -5.6181 -5.6175 -4.0270 -4.0270 -3.4851 -3.4843 -3.2250 -3.2246 1.1503 1.1636 1.2992 1.3085 1.7830 1.7904 2.3812 2.3944 2.6693 2.6721 3.4802 3.5162 3.6906 3.7255 4.5473 4.5475 8.2911 8.2996 8.6212 8.6313 14.6857 14.6904 14.9834 14.9840 k =-0.0166 0.0163 0.0342 ( 2035 PWs) bands (ev): -22.5297 -22.5297 -17.8260 -17.8260 -5.6176 -5.6167 -4.0273 -4.0272 -3.4875 -3.4864 -3.2251 -3.2246 1.1437 1.1626 1.3014 1.3144 1.7816 1.7927 2.3796 2.3997 2.6677 2.6719 3.4694 3.5225 3.6832 3.7347 4.5503 4.5506 8.2831 8.2954 8.6260 8.6407 14.6852 14.6922 14.9916 14.9927 k =-0.0221 0.0217 0.0456 ( 2037 PWs) bands (ev): -22.5293 -22.5293 -17.8260 -17.8260 -5.6170 -5.6158 -4.0277 -4.0276 -3.4908 -3.4893 -3.2253 -3.2245 1.1363 1.1599 1.3053 1.3210 1.7803 1.7952 2.3785 2.4057 2.6655 2.6715 3.4581 3.5273 3.6769 3.7438 4.5546 4.5549 8.2733 8.2888 8.6336 8.6523 14.6849 14.6942 15.0030 15.0047 k =-0.0276 0.0272 0.0571 ( 2039 PWs) bands (ev): -22.5289 -22.5288 -17.8260 -17.8260 -5.6161 -5.6146 -4.0281 -4.0280 -3.4949 -3.4931 -3.2254 -3.2244 1.1284 1.1558 1.3108 1.3283 1.7790 1.7978 2.3779 2.4126 2.6630 2.6710 3.4465 3.5302 3.6719 3.7528 4.5600 4.5604 8.2619 8.2802 8.6435 8.6657 14.6847 14.6964 15.0170 15.0198 k =-0.0332 0.0326 0.0685 ( 2035 PWs) bands (ev): -22.5283 -22.5283 -17.8260 -17.8260 -5.6150 -5.6132 -4.0288 -4.0286 -3.4997 -3.4976 -3.2255 -3.2244 1.1202 1.1506 1.3176 1.3360 1.7779 1.8006 2.3776 2.4202 2.6602 2.6704 3.4346 3.5310 3.6686 3.7617 4.5667 4.5671 8.2494 8.2699 8.6555 8.6808 14.6846 14.6985 15.0332 15.0375 k =-0.0387 0.0381 0.0799 ( 2035 PWs) bands (ev): -22.5276 -22.5276 -17.8260 -17.8260 -5.6137 -5.6116 -4.0295 -4.0294 -3.5053 -3.5028 -3.2257 -3.2244 1.1118 1.1445 1.3253 1.3439 1.7768 1.8035 2.3775 2.4287 2.6570 2.6699 3.4224 3.5294 3.6671 3.7703 4.5746 4.5750 8.2360 8.2583 8.6692 8.6972 14.6843 14.7006 15.0511 15.0574 k =-0.0442 0.0435 0.0913 ( 2039 PWs) bands (ev): -22.5269 -22.5268 -17.8260 -17.8260 -5.6121 -5.6097 -4.0305 -4.0304 -3.5116 -3.5087 -3.2259 -3.2244 1.1034 1.1378 1.3337 1.3520 1.7758 1.8066 2.3774 2.4378 2.6535 2.6695 3.4099 3.5255 3.6674 3.7788 4.5837 4.5841 8.2220 8.2457 8.6844 8.7148 14.6839 14.7026 15.0699 15.0788 k =-0.0497 0.0489 0.1027 ( 2039 PWs) bands (ev): -22.5260 -22.5260 -17.8260 -17.8260 -5.6104 -5.6077 -4.0316 -4.0315 -3.5185 -3.5151 -3.2261 -3.2244 1.0951 1.1308 1.3426 1.3601 1.7748 1.8098 2.3774 2.4476 2.6498 2.6694 3.3974 3.5196 3.6693 3.7870 4.5940 4.5943 8.2074 8.2323 8.7007 8.7333 14.6831 14.7043 15.0884 15.1010 k =-0.0553 0.0544 0.1141 ( 2041 PWs) bands (ev): -22.5251 -22.5250 -17.8261 -17.8261 -5.6085 -5.6055 -4.0329 -4.0329 -3.5259 -3.5222 -3.2263 -3.2244 1.0869 1.1236 1.3519 1.3682 1.7737 1.8132 2.3770 2.4579 2.6460 2.6696 3.3849 3.5120 3.6726 3.7949 4.6054 4.6057 8.1925 8.2183 8.7182 8.7526 14.6817 14.7056 15.1054 15.1227 k =-0.0608 0.0598 0.1255 ( 2037 PWs) bands (ev): -22.5241 -22.5240 -17.8261 -17.8261 -5.6065 -5.6032 -4.0346 -4.0345 -3.5337 -3.5296 -3.2265 -3.2245 1.0789 1.1164 1.3614 1.3762 1.7726 1.8166 2.3765 2.4687 2.6423 2.6704 3.3723 3.5029 3.6768 3.8026 4.6181 4.6183 8.1774 8.2040 8.7365 8.7727 14.6796 14.7065 15.1193 15.1425 k =-0.0663 0.0652 0.1369 ( 2045 PWs) bands (ev): -22.5230 -22.5229 -17.8261 -17.8261 -5.6043 -5.6007 -4.0365 -4.0364 -3.5419 -3.5374 -3.2267 -3.2246 1.0712 1.1092 1.3710 1.3840 1.7714 1.8200 2.3753 2.4796 2.6387 2.6716 3.3597 3.4927 3.6818 3.8100 4.6319 4.6320 8.1621 8.1893 8.7556 8.7935 14.6764 14.7066 15.1284 15.1587 k =-0.0718 0.0707 0.1483 ( 2041 PWs) bands (ev): -22.5218 -22.5217 -17.8262 -17.8262 -5.6019 -5.5980 -4.0388 -4.0386 -3.5504 -3.5455 -3.2270 -3.2246 1.0639 1.1021 1.3807 1.3916 1.7702 1.8235 2.3737 2.4907 2.6356 2.6737 3.3473 3.4818 3.6874 3.8171 4.6469 4.6469 8.1469 8.1746 8.7754 8.8148 14.6719 14.7060 15.1305 15.1690 k =-0.0774 0.0761 0.1598 ( 2045 PWs) bands (ev): -22.5205 -22.5204 -17.8262 -17.8262 -5.5994 -5.5953 -4.0414 -4.0411 -3.5590 -3.5537 -3.2273 -3.2248 1.0569 1.0953 1.3904 1.3990 1.7687 1.8270 2.3714 2.5013 2.6332 2.6763 3.3351 3.4702 3.6932 3.8240 4.6628 4.6630 8.1317 8.1598 8.7957 8.8367 14.6655 14.7045 15.1233 15.1707 k =-0.0829 0.0815 0.1712 ( 2053 PWs) bands (ev): -22.5192 -22.5191 -17.8263 -17.8263 -5.5968 -5.5924 -4.0444 -4.0440 -3.5677 -3.5620 -3.2276 -3.2250 1.0504 1.0887 1.4000 1.4062 1.7671 1.8303 2.3684 2.5111 2.6320 2.6796 3.3231 3.4582 3.6992 3.8305 4.6798 4.6802 8.1167 8.1451 8.8166 8.8592 14.6567 14.7018 15.1046 15.1604 k =-0.0884 0.0870 0.1826 ( 2053 PWs) bands (ev): -22.5178 -22.5177 -17.8264 -17.8264 -5.5941 -5.5894 -4.0478 -4.0473 -3.5764 -3.5703 -3.2279 -3.2252 1.0444 1.0825 1.4095 1.4131 1.7653 1.8337 2.3647 2.5197 2.6325 2.6836 3.3114 3.4459 3.7053 3.8367 4.6979 4.6985 8.1018 8.1305 8.8381 8.8821 14.6445 14.6978 15.0724 15.1345 k =-0.0939 0.0924 0.1940 ( 2053 PWs) bands (ev): -22.5163 -22.5162 -17.8265 -17.8265 -5.5914 -5.5864 -4.0516 -4.0510 -3.5850 -3.5784 -3.2283 -3.2254 1.0389 1.0768 1.4190 1.4198 1.7634 1.8370 2.3603 2.5265 2.6351 2.6882 3.3002 3.4334 3.7114 3.8427 4.7170 4.7178 8.0872 8.1162 8.8600 8.9056 14.6274 14.6922 15.0262 15.0897 k =-0.0995 0.0978 0.2054 ( 2057 PWs) bands (ev): -22.5148 -22.5147 -17.8267 -17.8266 -5.5885 -5.5833 -4.0559 -4.0551 -3.5934 -3.5864 -3.2287 -3.2257 1.0339 1.0714 1.4261 1.4282 1.7612 1.8401 2.3553 2.5312 2.6402 2.6933 3.2893 3.4208 3.7174 3.8483 4.7371 4.7382 8.0729 8.1021 8.8825 8.9296 14.6027 14.6846 14.9676 15.0240 k =-0.1050 0.1033 0.2168 ( 2051 PWs) bands (ev): -22.5133 -22.5131 -17.8268 -17.8268 -5.5857 -5.5802 -4.0606 -4.0597 -3.6015 -3.5941 -3.2292 -3.2260 1.0295 1.0666 1.4321 1.4373 1.7588 1.8431 2.3498 2.5336 2.6479 2.6989 3.2791 3.4082 3.7234 3.8537 4.7582 4.7595 8.0589 8.0884 8.9055 8.9541 14.5659 14.6742 14.9016 14.9385 k =-0.1105 0.1087 0.2282 ( 2053 PWs) bands (ev): -22.5117 -22.5115 -17.8270 -17.8270 -5.5828 -5.5770 -4.0658 -4.0647 -3.6092 -3.6015 -3.2297 -3.2264 1.0257 1.0623 1.4379 1.4463 1.7562 1.8459 2.3437 2.5341 2.6577 2.7047 3.2693 3.3957 3.7291 3.8587 4.7802 4.7817 8.0453 8.0749 8.9290 8.9792 14.5107 14.6583 14.8367 14.8377 k =-0.1161 0.1142 0.2396 ( 2057 PWs) bands (ev): -22.5100 -22.5099 -17.8272 -17.8272 -5.5799 -5.5739 -4.0714 -4.0702 -3.6166 -3.6084 -3.2302 -3.2268 1.0226 1.0585 1.4433 1.4550 1.7533 1.8484 2.3372 2.5330 2.6693 2.7106 3.2602 3.3832 3.7346 3.8634 4.8030 4.8047 8.0320 8.0619 8.9532 9.0049 14.4319 14.6250 14.7374 14.7807 k =-0.1216 0.1196 0.2511 ( 2041 PWs) bands (ev): -22.5084 -22.5082 -17.8275 -17.8275 -5.5771 -5.5708 -4.0775 -4.0761 -3.6235 -3.6149 -3.2307 -3.2273 1.0202 1.0554 1.4485 1.4636 1.7503 1.8508 2.3305 2.5310 2.6821 2.7166 3.2519 3.3710 3.7401 3.8680 4.8267 4.8286 8.0192 8.0494 8.9780 9.0312 14.3300 14.5378 14.6777 14.7363 k =-0.1271 0.1250 0.2625 ( 2045 PWs) bands (ev): -22.5067 -22.5065 -17.8278 -17.8278 -5.5743 -5.5677 -4.0840 -4.0825 -3.6299 -3.6210 -3.2313 -3.2278 1.0184 1.0529 1.4533 1.4720 1.7469 1.8528 2.3235 2.5281 2.6957 2.7223 3.2442 3.3589 3.7452 3.8721 4.8509 4.8530 8.0069 8.0373 9.0034 9.0583 14.2103 14.4085 14.6501 14.7007 k =-0.1326 0.1305 0.2739 ( 2041 PWs) bands (ev): -22.5050 -22.5048 -17.8281 -17.8281 -5.5715 -5.5647 -4.0908 -4.0892 -3.6357 -3.6265 -3.2319 -3.2283 1.0174 1.0510 1.4579 1.4801 1.7434 1.8545 2.3165 2.5250 2.7098 2.7278 3.2374 3.3470 3.7501 3.8759 4.8758 4.8781 7.9951 8.0258 9.0297 9.0861 14.0788 14.2659 14.6286 14.6700 k =-0.1382 0.1359 0.2853 ( 2041 PWs) bands (ev): -22.5033 -22.5031 -17.8285 -17.8285 -5.5689 -5.5618 -4.0980 -4.0962 -3.6410 -3.6315 -3.2326 -3.2289 1.0170 1.0498 1.4622 1.4881 1.7396 1.8559 2.3095 2.5216 2.7241 2.7329 3.2313 3.3354 3.7547 3.8794 4.9012 4.9036 7.9837 8.0148 9.0567 9.1147 13.9402 14.1177 14.6073 14.6415 k =-0.1437 0.1413 0.2967 ( 2049 PWs) bands (ev): -22.5015 -22.5014 -17.8289 -17.8289 -5.5663 -5.5590 -4.1054 -4.1035 -3.6458 -3.6359 -3.2334 -3.2296 1.0174 1.0493 1.4662 1.4959 1.7356 1.8568 2.3026 2.5181 2.7375 2.7384 3.2259 3.3240 3.7589 3.8826 4.9269 4.9294 7.9729 8.0043 9.0848 9.1443 13.7973 13.9671 14.5847 14.6135 k =-0.1492 0.1468 0.3081 ( 2049 PWs) bands (ev): -22.4998 -22.4997 -17.8294 -17.8293 -5.5639 -5.5564 -4.1130 -4.1110 -3.6500 -3.6399 -3.2341 -3.2303 1.0186 1.0495 1.4700 1.5035 1.7314 1.8575 2.2959 2.5148 2.7416 2.7526 3.2214 3.3130 3.7629 3.8854 4.9528 4.9554 7.9627 7.9945 9.1139 9.1750 13.6524 13.8158 14.5603 14.5850 k =-0.1547 0.1522 0.3195 ( 2049 PWs) bands (ev): -22.4981 -22.4979 -17.8299 -17.8299 -5.5616 -5.5539 -4.1207 -4.1187 -3.6537 -3.6433 -3.2349 -3.2311 1.0205 1.0504 1.4736 1.5110 1.7271 1.8577 2.2896 2.5117 2.7450 2.7665 3.2177 3.3023 3.7666 3.8879 4.9788 4.9814 7.9531 7.9853 9.1441 9.2068 13.5068 13.6647 14.5338 14.5554 k =-0.1603 0.1576 0.3309 ( 2053 PWs) bands (ev): -22.4964 -22.4962 -17.8304 -17.8304 -5.5594 -5.5515 -4.1284 -4.1264 -3.6569 -3.6463 -3.2358 -3.2319 1.0232 1.0520 1.4770 1.5183 1.7226 1.8575 2.2836 2.5088 2.7478 2.7800 3.2146 3.2919 3.7699 3.8901 5.0047 5.0073 7.9441 7.9768 9.1757 9.2398 13.3617 13.5148 14.5051 14.5242 k =-0.1658 0.1631 0.3423 ( 2053 PWs) bands (ev): -22.4947 -22.4946 -17.8310 -17.8310 -5.5575 -5.5493 -4.1361 -4.1340 -3.6596 -3.6488 -3.2366 -3.2327 1.0267 1.0545 1.4802 1.5254 1.7181 1.8570 2.2781 2.5061 2.7500 2.7930 3.2123 3.2819 3.7729 3.8919 5.0303 5.0329 7.9358 7.9689 9.2088 9.2743 13.2179 13.3667 14.4742 14.4913 k =-0.1713 0.1685 0.3538 ( 2039 PWs) bands (ev): -22.4931 -22.4929 -17.8317 -17.8317 -5.5557 -5.5473 -4.1437 -4.1416 -3.6618 -3.6509 -3.2375 -3.2336 1.0311 1.0577 1.4833 1.5325 1.7136 1.8561 2.2732 2.5039 2.7516 2.8057 3.2107 3.2724 3.7755 3.8935 5.0555 5.0579 7.9282 7.9619 9.2435 9.3103 13.0759 13.2209 14.4410 14.4565 k =-0.1768 0.1740 0.3652 ( 2041 PWs) bands (ev): -22.4914 -22.4912 -17.8324 -17.8324 -5.5541 -5.5456 -4.1511 -4.1489 -3.6637 -3.6526 -3.2385 -3.2345 1.0362 1.0617 1.4862 1.5394 1.7090 1.8548 2.2688 2.5020 2.7525 2.8176 3.2095 3.2632 3.7778 3.8946 5.0800 5.0822 7.9212 7.9555 9.2800 9.3480 12.9364 13.0777 14.4054 14.4197 k =-0.1824 0.1794 0.3766 ( 2041 PWs) bands (ev): -22.4898 -22.4896 -17.8332 -17.8332 -5.5528 -5.5441 -4.1581 -4.1560 -3.6652 -3.6540 -3.2395 -3.2355 1.0422 1.0664 1.4889 1.5462 1.7045 1.8532 2.2649 2.5003 2.7529 2.8288 3.2088 3.2543 3.7797 3.8954 5.1035 5.1055 7.9150 7.9499 9.3184 9.3876 12.7996 12.9376 14.3676 14.3808 k =-0.1879 0.1848 0.3880 ( 2041 PWs) bands (ev): -22.4883 -22.4881 -17.8340 -17.8340 -5.5517 -5.5428 -4.1648 -4.1627 -3.6664 -3.6551 -3.2405 -3.2365 1.0490 1.0720 1.4916 1.5529 1.7000 1.8512 2.2617 2.4991 2.7527 2.8395 3.2084 3.2458 3.7811 3.8958 5.1260 5.1276 7.9095 7.9451 9.3590 9.4291 12.6660 12.8006 14.3275 14.3398 k =-0.1934 0.1903 0.3994 ( 2041 PWs) bands (ev): -22.4868 -22.4866 -17.8349 -17.8349 -5.5509 -5.5418 -4.1711 -4.1689 -3.6673 -3.6559 -3.2415 -3.2375 1.0566 1.0783 1.4942 1.5596 1.6957 1.8489 2.2590 2.4981 2.7521 2.8494 3.2083 3.2377 3.7822 3.8959 5.1472 5.1484 7.9048 7.9410 9.4019 9.4728 12.5358 12.6672 14.2852 14.2967 k =-0.1989 0.1957 0.4108 ( 2037 PWs) bands (ev): -22.4853 -22.4851 -17.8359 -17.8359 -5.5503 -5.5411 -4.1768 -4.1747 -3.6680 -3.6565 -3.2425 -3.2385 1.0650 1.0854 1.4968 1.5663 1.6915 1.8464 2.2570 2.4976 2.7510 2.8585 3.2083 3.2300 3.7829 3.8956 5.1668 5.1675 7.9009 7.9378 9.4472 9.5188 12.4092 12.5374 14.2407 14.2516 k =-0.2045 0.2011 0.4222 ( 2033 PWs) bands (ev): -22.4839 -22.4837 -17.8369 -17.8369 -5.5500 -5.5407 -4.1819 -4.1798 -3.6685 -3.6570 -3.2436 -3.2396 1.0742 1.0933 1.4993 1.5729 1.6875 1.8437 2.2556 2.4974 2.7496 2.8669 3.2085 3.2227 3.7833 3.8950 5.1847 5.1849 7.8979 7.9354 9.4952 9.5673 12.2865 12.4114 14.1942 14.2044 k =-0.2100 0.2066 0.4336 ( 2033 PWs) bands (ev): -22.4825 -22.4824 -17.8379 -17.8379 -5.5501 -5.5405 -4.1864 -4.1843 -3.6688 -3.6573 -3.2447 -3.2407 1.0841 1.1019 1.5018 1.5796 1.6838 1.8408 2.2548 2.4975 2.7479 2.8744 3.2087 3.2157 3.7831 3.8940 5.2003 5.2006 7.8956 7.9338 9.5460 9.6183 12.1678 12.2894 14.1456 14.1554 k =-0.2155 0.2120 0.4450 ( 2033 PWs) bands (ev): -22.4813 -22.4811 -17.8391 -17.8391 -5.5504 -5.5407 -4.1902 -4.1881 -3.6690 -3.6575 -3.2458 -3.2418 1.0949 1.1113 1.5043 1.5862 1.6803 1.8377 2.2547 2.4979 2.7459 2.8812 3.2088 3.2090 3.7826 3.8926 5.2135 5.2145 7.8941 7.9329 9.5998 9.6720 12.0533 12.1715 14.0952 14.1044 k =-0.2211 0.2174 0.4565 ( 2037 PWs) bands (ev): -22.4800 -22.4798 -17.8403 -17.8403 -5.5510 -5.5413 -4.1932 -4.1912 -3.6691 -3.6576 -3.2468 -3.2430 1.1064 1.1214 1.5069 1.5929 1.6771 1.8346 2.2550 2.4987 2.7437 2.8871 3.2027 3.2087 3.7816 3.8908 5.2245 5.2261 7.8935 7.9329 9.6566 9.7284 11.9432 12.0578 14.0429 14.0517 k =-0.2266 0.2229 0.4679 ( 2035 PWs) bands (ev): -22.4789 -22.4787 -17.8415 -17.8415 -5.5520 -5.5421 -4.1954 -4.1934 -3.6692 -3.6577 -3.2479 -3.2441 1.1186 1.1322 1.5094 1.5997 1.6744 1.8314 2.2560 2.4998 2.7414 2.8923 3.1968 3.2084 3.7802 3.8886 5.2331 5.2354 7.8937 7.9337 9.7165 9.7877 11.8375 11.9484 13.9889 13.9972 k =-0.2321 0.2283 0.4793 ( 2033 PWs) bands (ev): -22.4778 -22.4776 -17.8428 -17.8428 -5.5533 -5.5433 -4.1967 -4.1948 -3.6692 -3.6577 -3.2490 -3.2452 1.1316 1.1437 1.5121 1.6066 1.6721 1.8282 2.2576 2.5012 2.7389 2.8966 3.1912 3.2079 3.7784 3.8861 5.2392 5.2422 7.8948 7.9353 9.7796 9.8497 11.7365 11.8434 13.9333 13.9412 k =-0.2376 0.2338 0.4907 ( 2041 PWs) bands (ev): -22.4768 -22.4766 -17.8442 -17.8442 -5.5549 -5.5448 -4.1971 -4.1953 -3.6692 -3.6578 -3.2501 -3.2464 1.1452 1.1559 1.5147 1.6136 1.6702 1.8250 2.2596 2.5027 2.7363 2.9000 3.1858 3.2070 3.7761 3.8831 5.2428 5.2465 7.8966 7.9376 9.8457 9.9143 11.6404 11.7429 13.8761 13.8837 k =-0.2432 0.2392 0.5021 ( 2049 PWs) bands (ev): -22.4759 -22.4757 -17.8457 -17.8456 -5.5568 -5.5467 -4.1967 -4.1948 -3.6693 -3.6579 -3.2512 -3.2475 1.1594 1.1686 1.5174 1.6206 1.6688 1.8219 2.2622 2.5046 2.7336 2.9026 3.1807 3.2057 3.7733 3.8797 5.2438 5.2483 7.8993 7.9406 9.9150 9.9815 11.5493 11.6470 13.8176 13.8248 k =-0.2487 0.2446 0.5135 ( 2049 PWs) bands (ev): -22.4750 -22.4748 -17.8471 -17.8471 -5.5591 -5.5489 -4.1952 -4.1934 -3.6693 -3.6580 -3.2522 -3.2486 1.1742 1.1820 1.5202 1.6279 1.6680 1.8190 2.2653 2.5068 2.7309 2.9044 3.1760 3.2041 3.7701 3.8760 5.2425 5.2476 7.9028 7.9444 9.9870 10.0507 11.4637 11.5560 13.7579 13.7646 k =-0.2542 0.2501 0.5249 ( 2049 PWs) bands (ev): -22.4742 -22.4741 -17.8487 -17.8487 -5.5617 -5.5515 -4.1928 -4.1910 -3.6695 -3.6583 -3.2533 -3.2497 1.1896 1.1959 1.5231 1.6352 1.6678 1.8162 2.2689 2.5092 2.7281 2.9053 3.1716 3.2021 3.7664 3.8719 5.2387 5.2445 7.9071 7.9489 10.0615 10.1215 11.3840 11.4701 13.6970 13.7033 k =-0.2597 0.2555 0.5363 ( 2055 PWs) bands (ev): -22.4736 -22.4734 -17.8503 -17.8503 -5.5647 -5.5544 -4.1894 -4.1877 -3.6697 -3.6586 -3.2543 -3.2508 1.2055 1.2103 1.5260 1.6427 1.6682 1.8136 2.2728 2.5118 2.7253 2.9053 3.1674 3.1995 3.7623 3.8674 5.2325 5.2390 7.9121 7.9540 10.1380 10.1930 11.3110 11.3897 13.6350 13.6410 k =-0.2653 0.2609 0.5478 ( 2059 PWs) bands (ev): -22.4729 -22.4728 -17.8519 -17.8519 -5.5680 -5.5577 -4.1850 -4.1833 -3.6700 -3.6590 -3.2553 -3.2518 1.2219 1.2252 1.5289 1.6503 1.6694 1.8112 2.2773 2.5146 2.7225 2.9045 3.1636 3.1964 3.7577 3.8625 5.2243 5.2313 7.9179 7.9597 10.2155 10.2639 11.2459 11.3156 13.5722 13.5777 k =-0.2708 0.2664 0.5592 ( 2063 PWs) bands (ev): -22.4724 -22.4722 -17.8536 -17.8536 -5.5716 -5.5613 -4.1795 -4.1780 -3.6704 -3.6595 -3.2562 -3.2529 1.2386 1.2405 1.5319 1.6580 1.6712 1.8092 2.2820 2.5175 2.7197 2.9027 3.1601 3.1928 3.7527 3.8572 5.2140 5.2215 7.9243 7.9660 10.2927 10.3319 11.1907 11.2490 13.5085 13.5137 k =-0.2763 0.2718 0.5706 ( 2071 PWs) bands (ev): -22.4720 -22.4718 -17.8554 -17.8554 -5.5755 -5.5652 -4.1731 -4.1716 -3.6710 -3.6602 -3.2572 -3.2539 1.2557 1.2561 1.5349 1.6657 1.6739 1.8076 2.2872 2.5206 2.7168 2.8999 3.1568 3.1887 3.7471 3.8515 5.2019 5.2098 7.9315 7.9729 10.3674 10.3939 11.1483 11.1917 13.4443 13.4490 k =-0.2818 0.2772 0.5820 ( 2075 PWs) bands (ev): -22.4716 -22.4714 -17.8572 -17.8572 -5.5797 -5.5694 -4.1657 -4.1643 -3.6716 -3.6609 -3.2581 -3.2548 1.2720 1.2729 1.5380 1.6735 1.6774 1.8064 2.2928 2.5239 2.7139 2.8963 3.1539 3.1840 3.7411 3.8455 5.1882 5.1965 7.9393 7.9804 10.4360 10.4453 11.1231 11.1472 13.3794 13.3838 k =-0.2874 0.2827 0.5934 ( 2079 PWs) bands (ev): -22.4713 -22.4711 -17.8590 -17.8590 -5.5843 -5.5740 -4.1573 -4.1559 -3.6724 -3.6619 -3.2589 -3.2557 1.2881 1.2904 1.5410 1.6812 1.6819 1.8059 2.2986 2.5272 2.7110 2.8916 3.1514 3.1787 3.7346 3.8391 5.1731 5.1818 7.9478 7.9884 10.4809 10.4931 11.1198 11.1203 13.3142 13.3181 k =-0.2929 0.2881 0.6048 ( 2079 PWs) bands (ev): -22.4711 -22.4709 -17.8608 -17.8608 -5.5891 -5.5788 -4.1480 -4.1466 -3.6733 -3.6629 -3.2597 -3.2566 1.3044 1.3079 1.5441 1.6873 1.6886 1.8062 2.3049 2.5307 2.7080 2.8860 3.1492 3.1730 3.7277 3.8323 5.1569 5.1658 7.9569 7.9969 10.4971 10.5323 11.1172 11.1418 13.2487 13.2521 k =-0.2984 0.2935 0.6162 ( 2079 PWs) bands (ev): -22.4709 -22.4708 -17.8627 -17.8627 -5.5941 -5.5839 -4.1377 -4.1363 -3.6743 -3.6641 -3.2604 -3.2574 1.3207 1.3254 1.5471 1.6937 1.6956 1.8075 2.3113 2.5342 2.7050 2.8794 3.1473 3.1667 3.7203 3.8252 5.1398 5.1489 7.9665 8.0060 10.4943 10.5488 11.1421 11.1880 13.1831 13.1859 k =-0.3039 0.2990 0.6276 ( 2083 PWs) bands (ev): -22.4709 -22.4707 -17.8646 -17.8646 -5.5994 -5.5893 -4.1264 -4.1252 -3.6755 -3.6655 -3.2611 -3.2582 1.3370 1.3428 1.5501 1.7011 1.7020 1.8099 2.3180 2.5378 2.7019 2.8718 3.1458 3.1599 3.7124 3.8177 5.1220 5.1313 7.9768 8.0155 10.4766 10.5436 11.1937 11.2541 13.1174 13.1197 k =-0.3095 0.3044 0.6390 ( 2079 PWs) bands (ev): -22.4709 -22.4707 -17.8666 -17.8666 -5.6050 -5.5949 -4.1143 -4.1131 -3.6768 -3.6669 -3.2618 -3.2589 1.3533 1.3600 1.5531 1.7077 1.7097 1.8137 2.3249 2.5413 2.6987 2.8633 3.1447 3.1527 3.7040 3.8098 5.1038 5.1131 7.9876 8.0255 10.4488 10.5221 11.2660 11.3347 13.0518 13.0535 k =-0.3150 0.3099 0.6505 ( 2071 PWs) bands (ev): -22.4709 -22.4708 -17.8685 -17.8685 -5.6107 -5.6008 -4.1014 -4.1002 -3.6783 -3.6686 -3.2624 -3.2596 1.3695 1.3768 1.5561 1.7123 1.7194 1.8192 2.3319 2.5448 2.6956 2.8539 3.1441 3.1451 3.6953 3.8016 5.0854 5.0948 7.9989 8.0360 10.4148 10.4904 11.3524 11.4254 12.9865 12.9875 k =-0.3205 0.3153 0.6619 ( 2075 PWs) bands (ev): -22.4711 -22.4709 -17.8705 -17.8705 -5.6167 -5.6069 -4.0877 -4.0865 -3.6799 -3.6703 -3.2629 -3.2603 1.3854 1.3933 1.5590 1.7159 1.7301 1.8263 2.3388 2.5482 2.6922 2.8436 3.1371 3.1438 3.6859 3.7930 5.0670 5.0763 8.0108 8.0470 10.3774 10.4528 11.4477 11.5227 12.9216 12.9218 k =-0.3261 0.3207 0.6733 ( 2071 PWs) bands (ev): -22.4713 -22.4711 -17.8725 -17.8725 -5.6228 -5.6131 -4.0732 -4.0721 -3.6816 -3.6722 -3.2634 -3.2609 1.4011 1.4094 1.5618 1.7183 1.7420 1.8351 2.3458 2.5513 2.6888 2.8325 3.1289 3.1440 3.6762 3.7841 5.0489 5.0581 8.0231 8.0584 10.3381 10.4121 11.5486 11.6243 12.8566 12.8572 k =-0.3316 0.3262 0.6847 ( 2075 PWs) bands (ev): -22.4715 -22.4713 -17.8745 -17.8745 -5.6291 -5.6195 -4.0580 -4.0570 -3.6834 -3.6742 -3.2639 -3.2614 1.4165 1.4249 1.5646 1.7197 1.7549 1.8454 2.3527 2.5541 2.6853 2.8206 3.1205 3.1445 3.6660 3.7748 5.0311 5.0401 8.0360 8.0702 10.2981 10.3700 11.6527 11.7285 12.7919 12.7935 k =-0.3316 0.3262 0.6847 ( 2075 PWs) bands (ev): -22.4715 -22.4713 -17.8745 -17.8745 -5.6291 -5.6195 -4.0580 -4.0570 -3.6834 -3.6742 -3.2639 -3.2614 1.4165 1.4249 1.5646 1.7197 1.7549 1.8454 2.3527 2.5541 2.6853 2.8206 3.1205 3.1445 3.6660 3.7748 5.0311 5.0401 8.0360 8.0702 10.2981 10.3700 11.6527 11.7285 12.7919 12.7935 k =-0.3234 0.3182 0.6924 ( 2075 PWs) bands (ev): -22.4715 -22.4713 -17.8745 -17.8745 -5.6295 -5.6199 -4.0580 -4.0570 -3.6838 -3.6747 -3.2638 -3.2613 1.4161 1.4244 1.5664 1.7216 1.7560 1.8466 2.3531 2.5547 2.6852 2.8209 3.1202 3.1439 3.6654 3.7741 5.0311 5.0401 8.0345 8.0687 10.2958 10.3673 11.6541 11.7296 12.7938 12.7955 k =-0.3153 0.3102 0.7002 ( 2075 PWs) bands (ev): -22.4715 -22.4713 -17.8744 -17.8744 -5.6306 -5.6212 -4.0580 -4.0570 -3.6853 -3.6762 -3.2635 -3.2610 1.4148 1.4229 1.5719 1.7272 1.7593 1.8501 2.3545 2.5562 2.6848 2.8217 3.1192 3.1421 3.6636 3.7719 5.0312 5.0401 8.0299 8.0643 10.2889 10.3593 11.6585 11.7330 12.7998 12.8013 k =-0.3072 0.3022 0.7079 ( 2071 PWs) bands (ev): -22.4715 -22.4713 -17.8743 -17.8743 -5.6326 -5.6232 -4.0580 -4.0569 -3.6876 -3.6786 -3.2630 -3.2605 1.4128 1.4205 1.5810 1.7365 1.7648 1.8560 2.3570 2.5588 2.6843 2.8230 3.1177 3.1390 3.6605 3.7683 5.0314 5.0402 8.0223 8.0569 10.2774 10.3461 11.6657 11.7386 12.8096 12.8111 k =-0.2990 0.2942 0.7157 ( 2069 PWs) bands (ev): -22.4715 -22.4713 -17.8741 -17.8741 -5.6353 -5.6260 -4.0580 -4.0569 -3.6909 -3.6819 -3.2623 -3.2598 1.4101 1.4173 1.5935 1.7490 1.7725 1.8646 2.3603 2.5623 2.6834 2.8250 3.1154 3.1345 3.6564 3.7633 5.0316 5.0403 8.0118 8.0465 10.2615 10.3279 11.6756 11.7465 12.8234 12.8247 k =-0.2909 0.2862 0.7234 ( 2067 PWs) bands (ev): -22.4715 -22.4713 -17.8739 -17.8739 -5.6388 -5.6295 -4.0579 -4.0568 -3.6950 -3.6861 -3.2614 -3.2590 1.4066 1.4132 1.6091 1.7644 1.7824 1.8758 2.3646 2.5667 2.6824 2.8275 3.1126 3.1288 3.6513 3.7571 5.0320 5.0404 7.9983 8.0334 10.2412 10.3048 11.6882 11.7567 12.8409 12.8420 k =-0.2828 0.2782 0.7312 ( 2068 PWs) bands (ev): -22.4714 -22.4713 -17.8736 -17.8736 -5.6429 -5.6338 -4.0578 -4.0567 -3.7000 -3.6912 -3.2603 -3.2579 1.4024 1.4084 1.6276 1.7821 1.7945 1.8902 2.3697 2.5720 2.6812 2.8306 3.1090 3.1216 3.6453 3.7497 5.0324 5.0405 7.9821 8.0174 10.2167 10.2770 11.7034 11.7690 12.8621 12.8630 k =-0.2746 0.2702 0.7389 ( 2070 PWs) bands (ev): -22.4714 -22.4713 -17.8733 -17.8733 -5.6476 -5.6387 -4.0576 -4.0565 -3.7058 -3.6972 -3.2590 -3.2567 1.3976 1.4030 1.6485 1.8013 1.8087 1.9079 2.3756 2.5780 2.6798 2.8345 3.1049 3.1130 3.6386 3.7412 5.0329 5.0407 7.9631 7.9988 10.1882 10.2450 11.7210 11.7835 12.8870 12.8876 k =-0.2665 0.2622 0.7467 ( 2070 PWs) bands (ev): -22.4714 -22.4713 -17.8730 -17.8730 -5.6530 -5.6442 -4.0573 -4.0562 -3.7123 -3.7038 -3.2576 -3.2554 1.3923 1.3970 1.6716 1.8215 1.8253 1.9295 2.3824 2.5847 2.6783 2.8391 3.1001 3.1030 3.6314 3.7318 5.0335 5.0409 7.9415 7.9776 10.1559 10.2090 11.7408 11.8002 12.9153 12.9157 k =-0.2584 0.2541 0.7545 ( 2068 PWs) bands (ev): -22.4714 -22.4713 -17.8726 -17.8726 -5.6588 -5.6503 -4.0569 -4.0558 -3.7195 -3.7112 -3.2561 -3.2539 1.3864 1.3904 1.6962 1.8418 1.8442 1.9549 2.3899 2.5920 2.6768 2.8446 3.0915 3.0946 3.6238 3.7217 5.0343 5.0413 7.9176 7.9540 10.1200 10.1694 11.7628 11.8190 12.9470 12.9471 k =-0.2584 0.2541 0.7545 ( 2068 PWs) bands (ev): -22.4714 -22.4713 -17.8726 -17.8726 -5.6588 -5.6503 -4.0569 -4.0558 -3.7195 -3.7112 -3.2561 -3.2539 1.3864 1.3904 1.6962 1.8418 1.8442 1.9549 2.3899 2.5920 2.6768 2.8446 3.0915 3.0946 3.6238 3.7217 5.0343 5.0413 7.9176 7.9540 10.1200 10.1694 11.7628 11.8190 12.9470 12.9471 k =-0.2484 0.2444 0.7545 ( 2065 PWs) bands (ev): -22.4712 -22.4711 -17.8712 -17.8712 -5.6605 -5.6521 -4.0653 -4.0641 -3.7251 -3.7168 -3.2544 -3.2522 1.3729 1.3765 1.7136 1.8529 1.8562 1.9780 2.3935 2.5984 2.6774 2.8563 3.0808 3.0950 3.6229 3.7180 5.0442 5.0509 7.8875 7.9247 10.1123 10.1589 11.7257 11.7789 13.0108 13.0114 k =-0.2385 0.2346 0.7545 ( 2064 PWs) bands (ev): -22.4710 -22.4709 -17.8698 -17.8698 -5.6625 -5.6542 -4.0733 -4.0720 -3.7311 -3.7229 -3.2527 -3.2505 1.3593 1.3625 1.7304 1.8626 1.8711 2.0047 2.3977 2.6052 2.6782 2.8685 3.0695 3.0950 3.6218 3.7140 5.0542 5.0604 7.8560 7.8938 10.1030 10.1465 11.6908 11.7409 13.0766 13.0778 k =-0.2286 0.2248 0.7545 ( 2060 PWs) bands (ev): -22.4708 -22.4707 -17.8684 -17.8684 -5.6648 -5.6567 -4.0809 -4.0797 -3.7376 -3.7294 -3.2508 -3.2487 1.3456 1.3483 1.7463 1.8715 1.8889 2.0340 2.4023 2.6125 2.6794 2.8813 3.0575 3.0949 3.6204 3.7096 5.0639 5.0697 7.8232 7.8616 10.0923 10.1325 11.6583 11.7052 13.1440 13.1458 k =-0.2186 0.2150 0.7545 ( 2060 PWs) bands (ev): -22.4706 -22.4705 -17.8670 -17.8670 -5.6674 -5.6595 -4.0882 -4.0869 -3.7444 -3.7364 -3.2489 -3.2468 1.3319 1.3341 1.7612 1.8800 1.9092 2.0651 2.4073 2.6201 2.6810 2.8945 3.0450 3.0946 3.6189 3.7049 5.0734 5.0787 7.7893 7.8280 10.0801 10.1169 11.6281 11.6718 13.2130 13.2152 k =-0.2087 0.2053 0.7545 ( 2060 PWs) bands (ev): -22.4704 -22.4703 -17.8656 -17.8656 -5.6702 -5.6625 -4.0952 -4.0939 -3.7515 -3.7436 -3.2469 -3.2449 1.3182 1.3201 1.7753 1.8884 1.9318 2.0972 2.4126 2.6280 2.6833 2.9081 3.0321 3.0941 3.6173 3.7000 5.0826 5.0873 7.7544 7.7935 10.0668 10.1000 11.6002 11.6406 13.2832 13.2859 k =-0.1987 0.1955 0.7545 ( 2053 PWs) bands (ev): -22.4703 -22.4701 -17.8643 -17.8643 -5.6732 -5.6657 -4.1017 -4.1004 -3.7589 -3.7512 -3.2449 -3.2429 1.3046 1.3061 1.7887 1.8970 1.9560 2.1296 2.4181 2.6360 2.6866 2.9222 3.0191 3.0936 3.6158 3.6950 5.0914 5.0954 7.7190 7.7581 10.0525 10.0821 11.5746 11.6118 13.3544 13.3576 k =-0.1888 0.1857 0.7545 ( 2049 PWs) bands (ev): -22.4701 -22.4700 -17.8630 -17.8630 -5.6763 -5.6691 -4.1079 -4.1065 -3.7665 -3.7590 -3.2429 -3.2409 1.2913 1.2924 1.8016 1.9058 1.9813 2.1617 2.4237 2.6440 2.6913 2.9362 3.0066 3.0931 3.6143 3.6899 5.0997 5.1030 7.6831 7.7222 10.0372 10.0632 11.5513 11.5852 13.4263 13.4300 k =-0.1789 0.1759 0.7545 ( 2047 PWs) bands (ev): -22.4699 -22.4698 -17.8617 -17.8617 -5.6796 -5.6726 -4.1136 -4.1122 -3.7743 -3.7669 -3.2408 -3.2389 1.2781 1.2790 1.8142 1.9147 2.0072 2.1928 2.4291 2.6517 2.6976 2.9483 2.9964 3.0926 3.6129 3.6849 5.1074 5.1101 7.6470 7.6859 10.0211 10.0436 11.5301 11.5608 13.4987 13.5028 k =-0.1689 0.1662 0.7545 ( 2048 PWs) bands (ev): -22.4698 -22.4697 -17.8605 -17.8605 -5.6829 -5.6762 -4.1189 -4.1174 -3.7822 -3.7750 -3.2387 -3.2369 1.2653 1.2659 1.8267 1.9238 2.0333 2.2225 2.4342 2.6591 2.7059 2.9535 2.9938 3.0923 3.6116 3.6799 5.1145 5.1164 7.6111 7.6495 10.0044 10.0236 11.5110 11.5386 13.5712 13.5757 k =-0.1590 0.1564 0.7545 ( 2046 PWs) bands (ev): -22.4696 -22.4695 -17.8593 -17.8593 -5.6863 -5.6798 -4.1237 -4.1223 -3.7901 -3.7832 -3.2367 -3.2349 1.2528 1.2532 1.8391 1.9331 2.0592 2.2502 2.4387 2.6658 2.7163 2.9475 3.0032 3.0923 3.6105 3.6749 5.1209 5.1220 7.5757 7.6134 9.9872 10.0032 11.4939 11.5185 13.6434 13.6484 k =-0.1491 0.1466 0.7545 ( 2048 PWs) bands (ev): -22.4695 -22.4694 -17.8582 -17.8582 -5.6896 -5.6835 -4.1282 -4.1267 -3.7980 -3.7913 -3.2347 -3.2330 1.2408 1.2410 1.8516 1.9425 2.0845 2.2756 2.4425 2.6718 2.7288 2.9362 3.0188 3.0928 3.6095 3.6701 5.1264 5.1268 7.5409 7.5777 9.9697 9.9828 11.4787 11.5004 13.7151 13.7205 k =-0.1391 0.1368 0.7545 ( 2052 PWs) bands (ev): -22.4693 -22.4692 -17.8571 -17.8571 -5.6929 -5.6872 -4.1322 -4.1307 -3.8058 -3.7994 -3.2327 -3.2311 1.2292 1.2293 1.8642 1.9519 2.1091 2.2983 2.4458 2.6766 2.7434 2.9236 3.0368 3.0939 3.6087 3.6655 5.1308 5.1312 7.5072 7.5428 9.9521 9.9625 11.4651 11.4843 13.7857 13.7916 k =-0.1292 0.1271 0.7545 ( 2050 PWs) bands (ev): -22.4692 -22.4691 -17.8560 -17.8560 -5.6962 -5.6907 -4.1358 -4.1343 -3.8134 -3.8073 -3.2307 -3.2292 1.2182 1.2182 1.8768 1.9612 2.1327 2.3181 2.4486 2.6800 2.7596 2.9112 3.0559 3.0961 3.6083 3.6612 5.1340 5.1351 7.4746 7.5090 9.9346 9.9425 11.4532 11.4699 13.8548 13.8612 k =-0.1192 0.1173 0.7545 ( 2048 PWs) bands (ev): -22.4691 -22.4690 -17.8551 -17.8551 -5.6993 -5.6942 -4.1389 -4.1375 -3.8208 -3.8151 -3.2289 -3.2275 1.2077 1.2078 1.8894 1.9703 2.1551 2.3346 2.4514 2.6818 2.7767 2.8997 3.0754 3.0994 3.6081 3.6571 5.1364 5.1381 7.4436 7.4764 9.9173 9.9231 11.4428 11.4572 13.9221 13.9289 k =-0.1093 0.1075 0.7545 ( 2042 PWs) bands (ev): -22.4690 -22.4689 -17.8542 -17.8542 -5.7023 -5.6976 -4.1417 -4.1403 -3.8280 -3.8225 -3.2271 -3.2258 1.1978 1.1981 1.9021 1.9790 2.1763 2.3477 2.4549 2.6817 2.7940 2.8894 3.0949 3.1041 3.6082 3.6533 5.1380 5.1404 7.4144 7.4453 9.9004 9.9044 11.4338 11.4461 13.9869 13.9942 k =-0.0994 0.0977 0.7545 ( 2045 PWs) bands (ev): -22.4689 -22.4688 -17.8533 -17.8533 -5.7051 -5.7008 -4.1441 -4.1428 -3.8347 -3.8297 -3.2254 -3.2242 1.1887 1.1890 1.9146 1.9873 2.1960 2.3570 2.4595 2.6794 2.8105 2.8806 3.1104 3.1140 3.6085 3.6496 5.1389 5.1417 7.3872 7.4161 9.8841 9.8866 11.4260 11.4364 14.0486 14.0565 k =-0.0894 0.0880 0.7545 ( 2041 PWs) bands (ev): -22.4688 -22.4687 -17.8525 -17.8525 -5.7077 -5.7038 -4.1462 -4.1449 -3.8411 -3.8364 -3.2238 -3.2227 1.1803 1.1806 1.9270 1.9950 2.2143 2.3626 2.4658 2.6750 2.8257 2.8738 3.1185 3.1324 3.6092 3.6463 5.1392 5.1424 7.3621 7.3888 9.8687 9.8699 11.4194 11.4281 14.1069 14.1151 k =-0.0795 0.0782 0.7545 ( 2043 PWs) bands (ev): -22.4687 -22.4686 -17.8519 -17.8519 -5.7101 -5.7066 -4.1479 -4.1467 -3.8470 -3.8427 -3.2224 -3.2214 1.1727 1.1730 1.9392 2.0019 2.2312 2.3646 2.4738 2.6683 2.8387 2.8687 3.1282 3.1496 3.6101 3.6432 5.1389 5.1423 7.3394 7.3637 9.8542 9.8545 11.4137 11.4210 14.1609 14.1695 k =-0.0696 0.0684 0.7545 ( 2045 PWs) bands (ev): -22.4686 -22.4686 -17.8512 -17.8512 -5.7123 -5.7092 -4.1493 -4.1482 -3.8523 -3.8485 -3.2211 -3.2202 1.1659 1.1663 1.9509 2.0078 2.2467 2.3639 2.4834 2.6597 2.8494 2.8655 3.1392 3.1653 3.6113 3.6403 5.1383 5.1418 7.3193 7.3409 9.8405 9.8409 11.4090 11.4150 14.2102 14.2190 k =-0.0596 0.0586 0.7545 ( 2049 PWs) bands (ev): -22.4686 -22.4685 -17.8507 -17.8507 -5.7142 -5.7115 -4.1504 -4.1494 -3.8570 -3.8537 -3.2199 -3.2192 1.1600 1.1603 1.9622 2.0126 2.2608 2.3610 2.4942 2.6494 2.8576 2.8638 3.1512 3.1790 3.6127 3.6376 5.1374 5.1408 7.3019 7.3207 9.8281 9.8289 11.4052 11.4100 14.2541 14.2630 k =-0.0497 0.0489 0.7545 ( 2045 PWs) bands (ev): -22.4685 -22.4685 -17.8502 -17.8502 -5.7157 -5.7135 -4.1513 -4.1504 -3.8610 -3.8583 -3.2189 -3.2183 1.1549 1.1552 1.9729 2.0161 2.2737 2.3566 2.5059 2.6379 2.8633 2.8636 3.1635 3.1905 3.6143 3.6352 5.1364 5.1395 7.2872 7.3031 9.8174 9.8185 11.4021 11.4059 14.2922 14.3007 k =-0.0397 0.0391 0.7545 ( 2042 PWs) bands (ev): -22.4684 -22.4684 -17.8498 -17.8498 -5.7170 -5.7152 -4.1519 -4.1512 -3.8644 -3.8621 -3.2180 -3.2175 1.1508 1.1510 1.9828 2.0183 2.2855 2.3512 2.5182 2.6253 2.8639 2.8675 3.1755 3.1996 3.6161 3.6328 5.1354 5.1382 7.2754 7.2883 9.8086 9.8097 11.3997 11.4026 14.3241 14.3318 k =-0.0298 0.0293 0.7545 ( 2044 PWs) bands (ev): -22.4684 -22.4684 -17.8495 -17.8495 -5.7180 -5.7166 -4.1524 -4.1518 -3.8669 -3.8652 -3.2174 -3.2170 1.1475 1.1477 1.9918 2.0190 2.2961 2.3450 2.5309 2.6121 2.8650 2.8697 3.1864 3.2059 3.6181 3.6306 5.1346 5.1368 7.2665 7.2763 9.8017 9.8026 11.3980 11.4000 14.3493 14.3558 k =-0.0199 0.0195 0.7545 ( 2046 PWs) bands (ev): -22.4684 -22.4684 -17.8493 -17.8493 -5.7186 -5.7177 -4.1527 -4.1523 -3.8687 -3.8676 -3.2169 -3.2166 1.1452 1.1453 1.9997 2.0181 2.3059 2.3382 2.5440 2.5985 2.8665 2.8705 3.1957 3.2094 3.6201 3.6284 5.1341 5.1356 7.2607 7.2672 9.7968 9.7974 11.3968 11.3982 14.3678 14.3725 k =-0.0099 0.0098 0.7545 ( 2042 PWs) bands (ev): -22.4684 -22.4683 -17.8492 -17.8492 -5.7189 -5.7184 -4.1528 -4.1526 -3.8697 -3.8691 -3.2165 -3.2164 1.1438 1.1439 2.0065 2.0157 2.3149 2.3309 2.5575 2.5848 2.8680 2.8703 3.2030 3.2100 3.6222 3.6264 5.1339 5.1347 7.2578 7.2611 9.7939 9.7942 11.3963 11.3970 14.3795 14.3820 k = 0.0000 0.0000 0.7545 ( 2048 PWs) bands (ev): -22.4684 -22.4684 -17.8492 -17.8492 -5.7188 -5.7188 -4.1528 -4.1528 -3.8698 -3.8698 -3.2164 -3.2164 1.1434 1.1434 2.0118 2.0118 2.3231 2.3231 2.5710 2.5710 2.8694 2.8694 3.2078 3.2078 3.6242 3.6242 5.1341 5.1341 7.2579 7.2579 9.7930 9.7930 11.3963 11.3963 14.3842 14.3842 k = 0.0000 0.0000 0.7545 ( 2048 PWs) bands (ev): -22.4684 -22.4684 -17.8492 -17.8492 -5.7188 -5.7188 -4.1528 -4.1528 -3.8698 -3.8698 -3.2164 -3.2164 1.1434 1.1434 2.0118 2.0118 2.3231 2.3231 2.5710 2.5710 2.8694 2.8694 3.2078 3.2078 3.6242 3.6242 5.1341 5.1341 7.2579 7.2579 9.7930 9.7930 11.3963 11.3963 14.3842 14.3842 k = 0.0096 0.0098 0.7545 ( 2042 PWs) bands (ev): -22.4683 -22.4683 -17.8492 -17.8492 -5.7188 -5.7188 -4.1529 -4.1528 -3.8699 -3.8698 -3.2162 -3.2159 1.1411 1.1434 2.0069 2.0156 2.3226 2.3254 2.5663 2.5774 2.8698 2.8711 3.2061 3.2094 3.6219 3.6239 5.1339 5.1345 7.2571 7.2599 9.7939 9.7949 11.3924 11.3978 14.3208 14.4017 k = 0.0192 0.0195 0.7545 ( 2046 PWs) bands (ev): -22.4684 -22.4684 -17.8492 -17.8492 -5.7187 -5.7187 -4.1532 -4.1531 -3.8702 -3.8701 -3.2154 -3.2148 1.1366 1.1411 2.0012 2.0179 2.3235 2.3292 2.5632 2.5849 2.8721 2.8749 3.2040 3.2107 3.6169 3.6208 5.1340 5.1353 7.2574 7.2630 9.7975 9.7996 11.3859 11.3966 14.2511 14.3455 k = 0.0288 0.0293 0.7545 ( 2042 PWs) bands (ev): -22.4683 -22.4683 -17.8492 -17.8491 -5.7186 -5.7185 -4.1538 -4.1536 -3.8707 -3.8705 -3.2140 -3.2131 1.1300 1.1365 1.9952 2.0190 2.3258 2.3347 2.5619 2.5935 2.8765 2.8811 3.2016 3.2118 3.6094 3.6150 5.1344 5.1363 7.2589 7.2672 9.8039 9.8069 11.3769 11.3930 14.1813 14.2735 k = 0.0385 0.0391 0.7545 ( 2046 PWs) bands (ev): -22.4684 -22.4684 -17.8492 -17.8491 -5.7184 -5.7182 -4.1545 -4.1543 -3.8714 -3.8711 -3.2120 -3.2109 1.1213 1.1296 1.9892 2.0188 2.3290 2.3415 2.5621 2.6025 2.8827 2.8895 3.1988 3.2126 3.5993 3.6067 5.1351 5.1376 7.2614 7.2725 9.8129 9.8168 11.3654 11.3870 14.1128 14.2003 k = 0.0481 0.0489 0.7545 ( 2046 PWs) bands (ev): -22.4684 -22.4684 -17.8492 -17.8491 -5.7181 -5.7179 -4.1555 -4.1552 -3.8723 -3.8718 -3.2094 -3.2081 1.1109 1.1206 1.9839 2.0179 2.3328 2.3495 2.5638 2.6119 2.8906 2.9003 3.1956 3.2133 3.5871 3.5959 5.1361 5.1392 7.2650 7.2787 9.8244 9.8292 11.3515 11.3785 14.0464 14.1285 k = 0.0577 0.0586 0.7545 ( 2046 PWs) bands (ev): -22.4684 -22.4684 -17.8492 -17.8491 -5.7177 -5.7175 -4.1566 -4.1562 -3.8732 -3.8728 -3.2063 -3.2047 1.0988 1.1095 1.9794 2.0166 2.3369 2.3585 2.5667 2.6210 2.9001 2.9136 3.1920 3.2138 3.5728 3.5829 5.1374 5.1410 7.2696 7.2860 9.8382 9.8438 11.3352 11.3677 13.9826 14.0590 k = 0.0673 0.0684 0.7545 ( 2048 PWs) bands (ev): -22.4684 -22.4684 -17.8492 -17.8491 -5.7173 -5.7171 -4.1578 -4.1574 -3.8744 -3.8738 -3.2028 -3.2009 1.0851 1.0965 1.9762 2.0154 2.3412 2.3680 2.5705 2.6297 2.9108 2.9291 3.1879 3.2141 3.5568 3.5679 5.1390 5.1430 7.2752 7.2941 9.8542 9.8605 11.3167 11.3546 13.9217 13.9925 k = 0.0769 0.0782 0.7545 ( 2046 PWs) bands (ev): -22.4684 -22.4684 -17.8492 -17.8491 -5.7169 -5.7166 -4.1591 -4.1587 -3.8756 -3.8750 -3.1989 -3.1968 1.0702 1.0819 1.9744 2.0146 2.3456 2.3780 2.5749 2.6379 2.9226 2.9468 3.1832 3.2142 3.5393 3.5511 5.1408 5.1453 7.2816 7.3031 9.8721 9.8791 11.2961 11.3395 13.8640 13.9292 k = 0.0865 0.0880 0.7545 ( 2046 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8491 -5.7164 -5.7161 -4.1606 -4.1601 -3.8770 -3.8763 -3.1946 -3.1922 1.0543 1.0658 1.9741 2.0147 2.3501 2.3882 2.5794 2.6454 2.9351 2.9662 3.1778 3.2142 3.5208 3.5328 5.1428 5.1477 7.2888 7.3127 9.8917 9.8992 11.2735 11.3224 13.8095 13.8695 k = 0.0962 0.0977 0.7545 ( 2044 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8491 -5.7159 -5.7155 -4.1621 -4.1616 -3.8784 -3.8777 -3.1900 -3.1875 1.0375 1.0487 1.9752 2.0157 2.3547 2.3986 2.5839 2.6523 2.9479 2.9870 3.1718 3.2140 3.5016 3.5135 5.1450 5.1502 7.2967 7.3229 9.9127 9.9206 11.2493 11.3035 13.7587 13.8135 k = 0.1058 0.1075 0.7545 ( 2044 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8490 -5.7153 -5.7149 -4.1637 -4.1631 -3.8800 -3.8792 -3.1852 -3.1825 1.0202 1.0308 1.9777 2.0180 2.3593 2.4090 2.5880 2.6585 2.9606 3.0088 3.1651 3.2138 3.4820 3.4935 5.1474 5.1528 7.3052 7.3336 9.9349 9.9430 11.2235 11.2831 13.7114 13.7614 k = 0.1154 0.1173 0.7545 ( 2044 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8490 -5.7147 -5.7144 -4.1653 -4.1646 -3.8815 -3.8808 -3.1802 -3.1773 1.0025 1.0124 1.9815 2.0215 2.3641 2.4193 2.5916 2.6642 2.9724 3.0310 3.1577 3.2134 3.4624 3.4733 5.1500 5.1556 7.3141 7.3447 9.9579 9.9660 11.1965 11.2614 13.6678 13.7134 k = 0.1250 0.1271 0.7545 ( 2044 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8490 -5.7141 -5.7138 -4.1668 -4.1661 -3.8831 -3.8824 -3.1752 -3.1721 0.9848 0.9937 1.9864 2.0262 2.3692 2.4297 2.5945 2.6692 2.9829 3.0533 3.1496 3.2131 3.4432 3.4536 5.1527 5.1583 7.3234 7.3560 9.9814 9.9895 11.1686 11.2387 13.6279 13.6695 k = 0.1346 0.1368 0.7545 ( 2046 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8490 -5.7135 -5.7132 -4.1684 -4.1676 -3.8847 -3.8840 -3.1702 -3.1670 0.9673 0.9753 1.9922 2.0319 2.3744 2.4400 2.5968 2.6737 2.9911 3.0753 3.1410 3.2129 3.4244 3.4349 5.1554 5.1611 7.3329 7.3673 10.0051 10.0130 11.1402 11.2154 13.5917 13.6298 k = 0.1442 0.1466 0.7545 ( 2044 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8490 -5.7130 -5.7126 -4.1699 -4.1691 -3.8863 -3.8856 -3.1653 -3.1619 0.9503 0.9572 1.9987 2.0386 2.3800 2.4503 2.5985 2.6774 2.9967 3.0966 3.1321 3.2131 3.4066 3.4178 5.1582 5.1638 7.3424 7.3786 10.0287 10.0362 11.1116 11.1918 13.5590 13.5941 k = 0.1538 0.1564 0.7545 ( 2042 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8489 -5.7124 -5.7120 -4.1714 -4.1705 -3.8878 -3.8871 -3.1605 -3.1570 0.9339 0.9398 2.0058 2.0459 2.3859 2.4607 2.5995 2.6804 2.9990 3.1158 3.1240 3.2137 3.3899 3.4027 5.1610 5.1664 7.3518 7.3897 10.0519 10.0588 11.0833 11.1682 13.5299 13.5624 k = 0.1635 0.1662 0.7545 ( 2050 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8489 -5.7119 -5.7115 -4.1727 -4.1718 -3.8893 -3.8886 -3.1560 -3.1523 0.9183 0.9233 2.0133 2.0536 2.3921 2.4710 2.5998 2.6822 2.9981 3.1122 3.1368 3.2150 3.3749 3.3894 5.1637 5.1689 7.3610 7.4003 10.0742 10.0805 11.0556 11.1451 13.5041 13.5347 k = 0.1731 0.1759 0.7545 ( 2050 PWs) bands (ev): -22.4684 -22.4684 -17.8491 -17.8489 -5.7113 -5.7110 -4.1740 -4.1729 -3.8907 -3.8901 -3.1517 -3.1479 0.9039 0.9080 2.0211 2.0613 2.3987 2.4814 2.5999 2.6827 2.9947 3.1020 3.1542 3.2169 3.3620 3.3782 5.1664 5.1713 7.3697 7.4104 10.0954 10.1010 11.0291 11.1230 13.4815 13.5106 k = 0.1827 0.1857 0.7545 ( 2050 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7109 -5.7106 -4.1751 -4.1740 -3.8919 -3.8914 -3.1478 -3.1439 0.8907 0.8940 2.0289 2.0686 2.4054 2.4920 2.5996 2.6817 2.9896 3.0908 3.1701 3.2194 3.3515 3.3687 5.1689 5.1734 7.3779 7.4198 10.1152 10.1200 11.0042 11.1021 13.4621 13.4901 k = 0.1923 0.1955 0.7545 ( 2052 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7104 -5.7102 -4.1761 -4.1750 -3.8931 -3.8926 -3.1442 -3.1403 0.8790 0.8816 2.0364 2.0754 2.4121 2.5027 2.5991 2.6789 2.9840 3.0787 3.1842 3.2222 3.3432 3.3609 5.1712 5.1753 7.3854 7.4283 10.1331 10.1371 10.9814 11.0831 13.4455 13.4730 k = 0.2019 0.2053 0.7545 ( 2056 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7101 -5.7098 -4.1770 -4.1758 -3.8941 -3.8936 -3.1412 -3.1371 0.8688 0.8708 2.0435 2.0813 2.4186 2.5133 2.5988 2.6740 2.9792 3.0661 3.1963 3.2249 3.3371 3.3546 5.1734 5.1769 7.3920 7.4357 10.1489 10.1522 10.9611 11.0661 13.4318 13.4589 k = 0.2115 0.2150 0.7545 ( 2058 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7098 -5.7095 -4.1777 -4.1765 -3.8949 -3.8945 -3.1386 -3.1345 0.8602 0.8618 2.0499 2.0863 2.4246 2.5236 2.5991 2.6673 2.9757 3.0534 3.2063 3.2273 3.3329 3.3498 5.1752 5.1782 7.3976 7.4420 10.1622 10.1651 10.9438 11.0517 13.4208 13.4477 k = 0.2212 0.2248 0.7545 ( 2058 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7095 -5.7093 -4.1783 -4.1770 -3.8955 -3.8952 -3.1366 -3.1324 0.8535 0.8548 2.0553 2.0901 2.4297 2.5331 2.6002 2.6590 2.9742 3.0414 3.2141 3.2293 3.3301 3.3461 5.1767 5.1792 7.4020 7.4471 10.1727 10.1756 10.9298 11.0401 13.4123 13.4392 k = 0.2308 0.2346 0.7545 ( 2058 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7093 -5.7091 -4.1787 -4.1774 -3.8960 -3.8957 -3.1351 -3.1309 0.8485 0.8497 2.0594 2.0927 2.4337 2.5410 2.6026 2.6500 2.9744 3.0311 3.2198 3.2307 3.3285 3.3435 5.1779 5.1799 7.4053 7.4508 10.1803 10.1833 10.9196 11.0316 13.4063 13.4333 k = 0.2404 0.2444 0.7545 ( 2060 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7092 -5.7091 -4.1789 -4.1776 -3.8963 -3.8961 -3.1342 -3.1300 0.8455 0.8467 2.0620 2.0943 2.4362 2.5462 2.6058 2.6422 2.9755 3.0238 3.2232 3.2316 3.3276 3.3420 5.1787 5.1802 7.4073 7.4530 10.1849 10.1880 10.9134 11.0264 13.4028 13.4298 k = 0.2500 0.2541 0.7545 ( 2060 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7092 -5.7090 -4.1790 -4.1777 -3.8964 -3.8962 -3.1339 -3.1297 0.8445 0.8457 2.0629 2.0948 2.4370 2.5480 2.6076 2.6387 2.9761 3.0210 3.2243 3.2318 3.3273 3.3415 5.1790 5.1803 7.4080 7.4537 10.1864 10.1896 10.9112 11.0247 13.4016 13.4286 k = 0.2500 0.2541 0.7545 ( 2060 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7092 -5.7090 -4.1790 -4.1777 -3.8964 -3.8962 -3.1339 -3.1297 0.8445 0.8457 2.0629 2.0948 2.4370 2.5480 2.6076 2.6387 2.9761 3.0210 3.2243 3.2318 3.3273 3.3415 5.1790 5.1803 7.4080 7.4537 10.1864 10.1896 10.9112 11.0247 13.4016 13.4286 k = 0.2419 0.2621 0.7468 ( 2060 PWs) bands (ev): -22.4685 -22.4685 -17.8490 -17.8489 -5.7088 -5.7086 -4.1790 -4.1777 -3.8961 -3.8959 -3.1339 -3.1297 0.8446 0.8458 2.0606 2.0916 2.4379 2.5431 2.6139 2.6402 2.9764 3.0216 3.2215 3.2279 3.3274 3.3408 5.1814 5.1828 7.4087 7.4545 10.1880 10.1912 10.9101 11.0234 13.4036 13.4305 k = 0.2339 0.2700 0.7391 ( 2058 PWs) bands (ev): -22.4685 -22.4685 -17.8490 -17.8489 -5.7075 -5.7074 -4.1789 -4.1775 -3.8953 -3.8951 -3.1340 -3.1298 0.8450 0.8461 2.0539 2.0824 2.4401 2.5322 2.6287 2.6445 2.9771 3.0232 3.2132 3.2163 3.3276 3.3388 5.1887 5.1901 7.4110 7.4566 10.1926 10.1958 10.9066 11.0194 13.4094 13.4359 k = 0.2258 0.2779 0.7314 ( 2058 PWs) bands (ev): -22.4686 -22.4686 -17.8490 -17.8488 -5.7054 -5.7053 -4.1787 -4.1774 -3.8940 -3.8938 -3.1341 -3.1300 0.8455 0.8466 2.0431 2.0680 2.4430 2.5193 2.6474 2.6514 2.9782 3.0261 3.1975 3.1993 3.3279 3.3361 5.2006 5.2020 7.4148 7.4602 10.2002 10.2034 10.9009 11.0128 13.4190 13.4450 k = 0.2177 0.2859 0.7237 ( 2050 PWs) bands (ev): -22.4687 -22.4687 -17.8489 -17.8488 -5.7026 -5.7024 -4.1784 -4.1771 -3.8922 -3.8920 -3.1343 -3.1302 0.8463 0.8474 2.0287 2.0492 2.4457 2.5063 2.6605 2.6677 2.9792 3.0304 3.1722 3.1806 3.3283 3.3334 5.2166 5.2180 7.4200 7.4651 10.2108 10.2140 10.8930 11.0038 13.4324 13.4576 k = 0.2097 0.2938 0.7160 ( 2054 PWs) bands (ev): -22.4688 -22.4688 -17.8489 -17.8488 -5.6989 -5.6988 -4.1781 -4.1768 -3.8899 -3.8897 -3.1346 -3.1305 0.8473 0.8483 2.0112 2.0273 2.4473 2.4933 2.6710 2.6882 2.9790 3.0362 3.1413 3.1586 3.3287 3.3311 5.2362 5.2376 7.4266 7.4714 10.2241 10.2273 10.8831 10.9923 13.4493 13.4735 k = 0.2016 0.3017 0.7083 ( 2052 PWs) bands (ev): -22.4690 -22.4690 -17.8489 -17.8487 -5.6946 -5.6944 -4.1777 -4.1764 -3.8871 -3.8869 -3.1348 -3.1308 0.8485 0.8495 1.9912 2.0031 2.4475 2.4804 2.6818 2.7079 2.9755 3.0436 3.1063 3.1365 3.3291 3.3293 5.2588 5.2602 7.4346 7.4788 10.2399 10.2433 10.8713 10.9787 13.4696 13.4928 k = 0.1935 0.3097 0.7007 ( 2050 PWs) bands (ev): -22.4692 -22.4692 -17.8488 -17.8487 -5.6895 -5.6894 -4.1772 -4.1760 -3.8838 -3.8836 -3.1352 -3.1312 0.8499 0.8508 1.9693 1.9773 2.4459 2.4674 2.6914 2.7257 2.9654 3.0513 3.0703 3.1191 3.3281 3.3296 5.2837 5.2852 7.4438 7.4875 10.2582 10.2616 10.8577 10.9631 13.4932 13.5151 k = 0.1855 0.3176 0.6930 ( 2048 PWs) bands (ev): -22.4694 -22.4694 -17.8488 -17.8486 -5.6838 -5.6837 -4.1767 -4.1755 -3.8800 -3.8799 -3.1355 -3.1316 0.8515 0.8524 1.9461 1.9506 2.4423 2.4539 2.6981 2.7406 2.9460 3.0267 3.0679 3.1111 3.3274 3.3302 5.3105 5.3120 7.4542 7.4972 10.2786 10.2821 10.8427 10.9457 13.5199 13.5403 k = 0.1774 0.3255 0.6853 ( 2048 PWs) bands (ev): -22.4697 -22.4697 -17.8487 -17.8486 -5.6776 -5.6774 -4.1761 -4.1749 -3.8758 -3.8757 -3.1359 -3.1321 0.8532 0.8541 1.9218 1.9234 2.4368 2.4398 2.6998 2.7507 2.9185 2.9894 3.0821 3.1135 3.3270 3.3308 5.3385 5.3399 7.4656 7.5079 10.3008 10.3044 10.8264 10.9267 13.5493 13.5681 k = 0.1694 0.3335 0.6776 ( 2054 PWs) bands (ev): -22.4699 -22.4699 -17.8486 -17.8485 -5.6708 -5.6707 -4.1755 -4.1743 -3.8712 -3.8711 -3.1364 -3.1327 0.8552 0.8560 1.8960 1.8970 2.4244 2.4291 2.6942 2.7532 2.8888 2.9556 3.0994 3.1242 3.3271 3.3315 5.3671 5.3685 7.4779 7.5194 10.3246 10.3284 10.8089 10.9064 13.5812 13.5984 k = 0.1613 0.3414 0.6699 ( 2054 PWs) bands (ev): -22.4702 -22.4702 -17.8485 -17.8484 -5.6636 -5.6635 -4.1749 -4.1737 -3.8662 -3.8661 -3.1369 -3.1332 0.8573 0.8580 1.8689 1.8720 2.4076 2.4190 2.6797 2.7431 2.8654 2.9283 3.1192 3.1406 3.3274 3.3323 5.3960 5.3974 7.4911 7.5316 10.3497 10.3536 10.7907 10.8850 13.6155 13.6310 k = 0.1532 0.3493 0.6622 ( 2056 PWs) bands (ev): -22.4705 -22.4705 -17.8485 -17.8484 -5.6561 -5.6559 -4.1742 -4.1731 -3.8609 -3.8607 -3.1373 -3.1338 0.8596 0.8602 1.8422 1.8470 2.3888 2.4060 2.6562 2.7182 2.8531 2.9088 3.1412 3.1609 3.3281 3.3332 5.4248 5.4261 7.5049 7.5445 10.3757 10.3799 10.7718 10.8627 13.6518 13.6656 k = 0.1452 0.3573 0.6546 ( 2054 PWs) bands (ev): -22.4708 -22.4708 -17.8484 -17.8483 -5.6482 -5.6481 -4.1734 -4.1724 -3.8552 -3.8551 -3.1378 -3.1345 0.8620 0.8625 1.8161 1.8224 2.3673 2.3894 2.6263 2.6836 2.8496 2.8963 3.1650 3.1838 3.3292 3.3343 5.4531 5.4544 7.5193 7.5577 10.4023 10.4068 10.7527 10.8398 13.6898 13.7019 k = 0.1371 0.3652 0.6469 ( 2054 PWs) bands (ev): -22.4711 -22.4711 -17.8483 -17.8482 -5.6402 -5.6400 -4.1727 -4.1717 -3.8493 -3.8491 -3.1384 -3.1351 0.8645 0.8649 1.7908 1.7981 2.3427 2.3683 2.5936 2.6456 2.8500 2.8887 3.1900 3.2081 3.3307 3.3356 5.4806 5.4818 7.5340 7.5713 10.4290 10.4340 10.7335 10.8166 13.7294 13.7396 k = 0.1290 0.3731 0.6392 ( 2058 PWs) bands (ev): -22.4715 -22.4715 -17.8482 -17.8481 -5.6320 -5.6319 -4.1720 -4.1710 -3.8431 -3.8430 -3.1389 -3.1357 0.8671 0.8675 1.7663 1.7744 2.3143 2.3417 2.5619 2.6086 2.8518 2.8842 3.2155 3.2328 3.3328 3.3374 5.5071 5.5083 7.5491 7.5849 10.4556 10.4613 10.7146 10.7933 13.7702 13.7786 k = 0.1210 0.3811 0.6315 ( 2062 PWs) bands (ev): -22.4718 -22.4718 -17.8481 -17.8481 -5.6238 -5.6237 -4.1712 -4.1703 -3.8368 -3.8367 -3.1394 -3.1364 0.8699 0.8701 1.7429 1.7515 2.2821 2.3095 2.5336 2.5749 2.8541 2.8815 3.2408 3.2568 3.3362 3.3398 5.5324 5.5336 7.5642 7.5986 10.4815 10.4881 10.6964 10.7701 13.8119 13.8186 k = 0.1129 0.3890 0.6238 ( 2060 PWs) bands (ev): -22.4721 -22.4721 -17.8481 -17.8480 -5.6156 -5.6155 -4.1705 -4.1696 -3.8304 -3.8303 -3.1399 -3.1371 0.8727 0.8729 1.7205 1.7295 2.2463 2.2722 2.5098 2.5453 2.8563 2.8798 3.2648 3.2787 3.3418 3.3435 5.5565 5.5575 7.5793 7.6122 10.5061 10.5142 10.6795 10.7474 13.8542 13.8592 k = 0.1048 0.3969 0.6161 ( 2060 PWs) bands (ev): -22.4724 -22.4724 -17.8480 -17.8479 -5.6076 -5.6075 -4.1697 -4.1689 -3.8239 -3.8238 -3.1404 -3.1377 0.8756 0.8757 1.6993 1.7084 2.2078 2.2312 2.4903 2.5200 2.8584 2.8787 3.2860 3.2961 3.3497 3.3513 5.5791 5.5801 7.5942 7.6254 10.5285 10.5391 10.6645 10.7257 13.8968 13.9001 k = 0.0968 0.4049 0.6084 ( 2062 PWs) bands (ev): -22.4727 -22.4727 -17.8479 -17.8478 -5.5998 -5.5997 -4.1690 -4.1682 -3.8175 -3.8174 -3.1408 -3.1383 0.8785 0.8785 1.6793 1.6884 2.1677 2.1884 2.4741 2.4987 2.8602 2.8779 3.3024 3.3076 3.3600 3.3660 5.6001 5.6010 7.6088 7.6382 10.5472 10.5622 10.6531 10.7053 13.9392 13.9410 k = 0.0887 0.4128 0.6008 ( 2056 PWs) bands (ev): -22.4730 -22.4730 -17.8478 -17.8477 -5.5923 -5.5922 -4.1683 -4.1676 -3.8112 -3.8111 -3.1413 -3.1390 0.8813 0.8814 1.6606 1.6694 2.1272 2.1452 2.4608 2.4807 2.8618 2.8772 3.3129 3.3142 3.3753 3.3845 5.6196 5.6205 7.6230 7.6505 10.5597 10.5823 10.6478 10.6874 13.9813 13.9815 k = 0.0806 0.4207 0.5931 ( 2054 PWs) bands (ev): -22.4733 -22.4733 -17.8477 -17.8477 -5.5851 -5.5851 -4.1676 -4.1670 -3.8051 -3.8050 -3.1417 -3.1395 0.8841 0.8842 1.6431 1.6516 2.0874 2.1029 2.4494 2.4654 2.8632 2.8767 3.3182 3.3189 3.3937 3.4043 5.6375 5.6382 7.6365 7.6620 10.5637 10.5972 10.6505 10.6744 14.0214 14.0224 k = 0.0726 0.4287 0.5854 ( 2054 PWs) bands (ev): -22.4736 -22.4736 -17.8477 -17.8476 -5.5784 -5.5784 -4.1670 -4.1664 -3.7992 -3.7992 -3.1420 -3.1401 0.8869 0.8870 1.6270 1.6351 2.0493 2.0626 2.4397 2.4525 2.8645 2.8761 3.3208 3.3224 3.4130 3.4237 5.6537 5.6544 7.6493 7.6726 10.5605 10.6025 10.6602 10.6704 14.0600 14.0622 k = 0.0645 0.4366 0.5777 ( 2052 PWs) bands (ev): -22.4738 -22.4738 -17.8476 -17.8475 -5.5723 -5.5722 -4.1664 -4.1659 -3.7937 -3.7937 -3.1424 -3.1406 0.8895 0.8898 1.6124 1.6198 2.0136 2.0250 2.4313 2.4415 2.8656 2.8756 3.3226 3.3245 3.4319 3.4421 5.6682 5.6688 7.6613 7.6823 10.5537 10.5973 10.6732 10.6765 14.0971 14.1001 k = 0.0565 0.4445 0.5700 ( 2044 PWs) bands (ev): -22.4740 -22.4740 -17.8475 -17.8475 -5.5666 -5.5666 -4.1659 -4.1654 -3.7886 -3.7886 -3.1426 -3.1411 0.8921 0.8923 1.5993 1.6060 1.9811 1.9907 2.4241 2.4321 2.8666 2.8751 3.3240 3.3260 3.4496 3.4590 5.6810 5.6816 7.6723 7.6910 10.5459 10.5865 10.6868 10.6876 14.1319 14.1357 k = 0.0484 0.4525 0.5623 ( 2046 PWs) bands (ev): -22.4742 -22.4742 -17.8475 -17.8474 -5.5617 -5.5616 -4.1654 -4.1650 -3.7841 -3.7840 -3.1429 -3.1416 0.8944 0.8947 1.5877 1.5936 1.9521 1.9601 2.4180 2.4242 2.8674 2.8746 3.3251 3.3270 3.4655 3.4739 5.6921 5.6926 7.6823 7.6985 10.5384 10.5742 10.6996 10.6996 14.1641 14.1682 k = 0.0403 0.4604 0.5547 ( 2048 PWs) bands (ev): -22.4744 -22.4744 -17.8474 -17.8474 -5.5574 -5.5573 -4.1650 -4.1647 -3.7801 -3.7800 -3.1431 -3.1420 0.8965 0.8967 1.5777 1.5827 1.9271 1.9336 2.4128 2.4176 2.8682 2.8741 3.3260 3.3277 3.4796 3.4867 5.7015 5.7019 7.6911 7.7047 10.5320 10.5623 10.7108 10.7111 14.1930 14.1971 k = 0.0323 0.4683 0.5470 ( 2042 PWs) bands (ev): -22.4745 -22.4745 -17.8474 -17.8474 -5.5538 -5.5538 -4.1647 -4.1644 -3.7767 -3.7767 -3.1432 -3.1423 0.8984 0.8986 1.5695 1.5735 1.9065 1.9116 2.4088 2.4123 2.8690 2.8736 3.3268 3.3282 3.4914 3.4972 5.7092 5.7095 7.6987 7.7097 10.5270 10.5515 10.7205 10.7208 14.2180 14.2218 k = 0.0242 0.4763 0.5393 ( 2040 PWs) bands (ev): -22.4747 -22.4747 -17.8474 -17.8473 -5.5510 -5.5510 -4.1644 -4.1642 -3.7740 -3.7740 -3.1433 -3.1426 0.8998 0.9000 1.5630 1.5661 1.8904 1.8942 2.4056 2.4081 2.8697 2.8731 3.3274 3.3285 3.5010 3.5054 5.7152 5.7154 7.7049 7.7133 10.5236 10.5422 10.7283 10.7285 14.2384 14.2416 k = 0.0161 0.4842 0.5316 ( 2038 PWs) bands (ev): -22.4747 -22.4747 -17.8473 -17.8473 -5.5489 -5.5489 -4.1642 -4.1640 -3.7721 -3.7721 -3.1433 -3.1429 0.9010 0.9011 1.5585 1.5606 1.8790 1.8815 2.4036 2.4051 2.8703 2.8726 3.3279 3.3286 3.5081 3.5110 5.7195 5.7197 7.7099 7.7155 10.5221 10.5345 10.7339 10.7341 14.2536 14.2560 k = 0.0081 0.4921 0.5239 ( 2044 PWs) bands (ev): -22.4748 -22.4748 -17.8473 -17.8473 -5.5477 -5.5477 -4.1640 -4.1640 -3.7709 -3.7709 -3.1433 -3.1431 0.9016 0.9017 1.5559 1.5570 1.8724 1.8736 2.4024 2.4032 2.8709 2.8720 3.3282 3.3286 3.5126 3.5141 5.7221 5.7222 7.7134 7.7162 10.5223 10.5286 10.7373 10.7374 14.2633 14.2645 k = 0.0000 0.5001 0.5162 ( 2044 PWs) bands (ev): -22.4748 -22.4748 -17.8473 -17.8473 -5.5473 -5.5473 -4.1640 -4.1640 -3.7705 -3.7705 -3.1432 -3.1432 0.9019 0.9019 1.5554 1.5554 1.8705 1.8705 2.4023 2.4023 2.8714 2.8714 3.3284 3.3284 3.5146 3.5146 5.7230 5.7230 7.7155 7.7155 10.5245 10.5245 10.7385 10.7385 14.2670 14.2670 k = 0.0000 0.5001 0.5162 ( 2044 PWs) bands (ev): -22.4748 -22.4748 -17.8473 -17.8473 -5.5473 -5.5473 -4.1640 -4.1640 -3.7705 -3.7705 -3.1432 -3.1432 0.9019 0.9019 1.5554 1.5554 1.8705 1.8705 2.4023 2.4023 2.8714 2.8714 3.3284 3.3284 3.5146 3.5146 5.7230 5.7230 7.7155 7.7155 10.5245 10.5245 10.7385 10.7385 14.2670 14.2670 k = 0.0111 0.5059 0.5106 ( 2040 PWs) bands (ev): -22.4748 -22.4748 -17.8474 -17.8474 -5.5477 -5.5471 -4.1639 -4.1637 -3.7705 -3.7701 -3.1438 -3.1432 0.9019 0.9040 1.5511 1.5599 1.8644 1.8766 2.3940 2.4105 2.8610 2.8820 3.3239 3.3314 3.5116 3.5191 5.7201 5.7221 7.7148 7.7185 10.5187 10.5293 10.7353 10.7455 14.2580 14.2661 k = 0.0221 0.5117 0.5050 ( 2040 PWs) bands (ev): -22.4748 -22.4747 -17.8475 -17.8475 -5.5483 -5.5471 -4.1635 -4.1632 -3.7702 -3.7695 -3.1450 -3.1438 0.9041 0.9081 1.5470 1.5645 1.8581 1.8823 2.3858 2.4186 2.8507 2.8925 3.3179 3.3326 3.5101 3.5252 5.7137 5.7175 7.7163 7.7237 10.5121 10.5328 10.7361 10.7558 14.2395 14.2553 k = 0.0332 0.5175 0.4994 ( 2039 PWs) bands (ev): -22.4747 -22.4747 -17.8477 -17.8477 -5.5492 -5.5474 -4.1628 -4.1624 -3.7695 -3.7684 -3.1468 -3.1450 0.9083 0.9144 1.5431 1.5692 1.8518 1.8878 2.3777 2.4266 2.8407 2.9028 3.3105 3.3321 3.5099 3.5326 5.7037 5.7094 7.7200 7.7310 10.5052 10.5348 10.7411 10.7692 14.2119 14.2350 k = 0.0442 0.5233 0.4938 ( 2043 PWs) bands (ev): -22.4746 -22.4746 -17.8481 -17.8481 -5.5502 -5.5479 -4.1619 -4.1613 -3.7685 -3.7670 -3.1491 -3.1467 0.9147 0.9227 1.5394 1.5739 1.8455 1.8928 2.3699 2.4343 2.8310 2.9128 3.3020 3.3300 3.5110 3.5413 5.6903 5.6978 7.7257 7.7402 10.4983 10.5354 10.7501 10.7854 14.1762 14.2058 k = 0.0553 0.5291 0.4882 ( 2047 PWs) bands (ev): -22.4746 -22.4745 -17.8485 -17.8485 -5.5515 -5.5486 -4.1607 -4.1599 -3.7671 -3.7653 -3.1520 -3.1491 0.9230 0.9329 1.5360 1.5786 1.8392 1.8973 2.3623 2.4418 2.8218 2.9222 3.2926 3.3264 3.5132 3.5512 5.6738 5.6829 7.7334 7.7512 10.4914 10.5348 10.7628 10.8039 14.1331 14.1685 k = 0.0663 0.5348 0.4825 ( 2046 PWs) bands (ev): -22.4744 -22.4744 -17.8490 -17.8490 -5.5530 -5.5495 -4.1592 -4.1583 -3.7653 -3.7631 -3.1554 -3.1520 0.9334 0.9451 1.5330 1.5834 1.8330 1.9011 2.3551 2.4490 2.8130 2.9309 3.2825 3.3214 3.5166 3.5622 5.6543 5.6649 7.7429 7.7638 10.4849 10.5333 10.7789 10.8247 14.0838 14.1240 k = 0.0774 0.5406 0.4769 ( 2046 PWs) bands (ev): -22.4743 -22.4742 -17.8496 -17.8496 -5.5547 -5.5506 -4.1575 -4.1565 -3.7632 -3.7606 -3.1593 -3.1554 0.9458 0.9592 1.5303 1.5883 1.8269 1.9043 2.3485 2.4560 2.8046 2.9387 3.2719 3.3153 3.5211 3.5740 5.6323 5.6441 7.7539 7.7776 10.4786 10.5312 10.7980 10.8475 14.0293 14.0733 k = 0.0884 0.5464 0.4713 ( 2042 PWs) bands (ev): -22.4742 -22.4741 -17.8503 -17.8502 -5.5565 -5.5520 -4.1555 -4.1544 -3.7607 -3.7577 -3.1636 -3.1593 0.9600 0.9751 1.5281 1.5932 1.8209 1.9066 2.3423 2.4627 2.7967 2.9454 3.2611 3.3081 3.5265 3.5866 5.6078 5.6208 7.7662 7.7925 10.4729 10.5288 10.8197 10.8723 13.9706 14.0176 k = 0.0995 0.5522 0.4657 ( 2042 PWs) bands (ev): -22.4740 -22.4739 -17.8510 -17.8510 -5.5586 -5.5536 -4.1534 -4.1521 -3.7578 -3.7544 -3.1684 -3.1638 0.9760 0.9926 1.5264 1.5983 1.8149 1.9081 2.3368 2.4691 2.7892 2.9508 3.2500 3.3000 3.5329 3.5997 5.5814 5.5953 7.7796 7.8083 10.4675 10.5262 10.8436 10.8987 13.9087 13.9578 k = 0.1105 0.5580 0.4601 ( 2048 PWs) bands (ev): -22.4738 -22.4737 -17.8518 -17.8518 -5.5609 -5.5554 -4.1510 -4.1497 -3.7546 -3.7507 -3.1736 -3.1686 0.9936 1.0117 1.5251 1.6034 1.8090 1.9087 2.3319 2.4751 2.7820 2.9548 3.2390 3.2911 3.5401 3.6132 5.5531 5.5678 7.7938 7.8246 10.4625 10.5236 10.8696 10.9267 13.8445 13.8949 k = 0.1216 0.5638 0.4545 ( 2052 PWs) bands (ev): -22.4736 -22.4735 -17.8527 -17.8527 -5.5634 -5.5574 -4.1485 -4.1470 -3.7509 -3.7467 -3.1791 -3.1739 1.0129 1.0322 1.5243 1.6086 1.8031 1.9083 2.3277 2.4810 2.7751 2.9571 3.2282 3.2815 3.5482 3.6270 5.5235 5.5388 7.8087 7.8413 10.4579 10.5210 10.8973 10.9562 13.7788 13.8298 k = 0.1326 0.5696 0.4489 ( 2058 PWs) bands (ev): -22.4734 -22.4733 -17.8537 -17.8537 -5.5660 -5.5596 -4.1458 -4.1442 -3.7469 -3.7423 -3.1849 -3.1795 1.0336 1.0540 1.5241 1.6140 1.7972 1.9069 2.3243 2.4866 2.7685 2.9577 3.2178 3.2715 3.5570 3.6410 5.4927 5.5084 7.8240 7.8581 10.4536 10.5185 10.9266 10.9871 13.7124 13.7632 k = 0.1437 0.5754 0.4432 ( 2056 PWs) bands (ev): -22.4732 -22.4731 -17.8547 -17.8547 -5.5689 -5.5620 -4.1429 -4.1413 -3.7426 -3.7375 -3.1909 -3.1853 1.0556 1.0769 1.5244 1.6197 1.7913 1.9046 2.3217 2.4921 2.7622 2.9567 3.2080 3.2613 3.5664 3.6550 5.4610 5.4770 7.8395 7.8749 10.4495 10.5160 10.9573 11.0193 13.6459 13.6960 k = 0.1547 0.5812 0.4376 ( 2056 PWs) bands (ev): -22.4730 -22.4729 -17.8558 -17.8557 -5.5718 -5.5646 -4.1399 -4.1382 -3.7380 -3.7325 -3.1971 -3.1915 1.0787 1.1009 1.5252 1.6256 1.7854 1.9015 2.3197 2.4973 2.7562 2.9540 3.1988 3.2508 3.5763 3.6688 5.4288 5.4450 7.8550 7.8915 10.4456 10.5136 10.9892 11.0526 13.5799 13.6287 k = 0.1658 0.5870 0.4320 ( 2056 PWs) bands (ev): -22.4728 -22.4727 -17.8569 -17.8569 -5.5750 -5.5673 -4.1366 -4.1349 -3.7332 -3.7273 -3.2034 -3.1977 1.1028 1.1255 1.5265 1.6318 1.7795 1.8975 2.3185 2.5024 2.7502 2.9495 3.1903 3.2402 3.5866 3.6824 5.3963 5.4124 7.8704 7.9078 10.4418 10.5111 11.0223 11.0870 13.5148 13.5618 k = 0.1768 0.5928 0.4264 ( 2064 PWs) bands (ev): -22.4726 -22.4725 -17.8580 -17.8580 -5.5783 -5.5703 -4.1332 -4.1315 -3.7281 -3.7218 -3.2097 -3.2041 1.1277 1.1508 1.5282 1.6382 1.7735 1.8927 2.3179 2.5073 2.7444 2.9435 3.1826 3.2297 3.5970 3.6956 5.3638 5.3797 7.8855 7.9236 10.4379 10.5084 11.0564 11.1223 13.4511 13.4960 k = 0.1879 0.5986 0.4208 ( 2066 PWs) bands (ev): -22.4724 -22.4723 -17.8592 -17.8592 -5.5817 -5.5734 -4.1296 -4.1279 -3.7230 -3.7163 -3.2160 -3.2105 1.1532 1.1764 1.5304 1.6449 1.7675 1.8874 2.3180 2.5121 2.7387 2.9362 3.1756 3.2193 3.6075 3.7084 5.3314 5.3471 7.9003 7.9388 10.4338 10.5054 11.0915 11.1587 13.3891 13.4314 k = 0.1989 0.6044 0.4152 ( 2067 PWs) bands (ev): -22.4722 -22.4721 -17.8604 -17.8604 -5.5852 -5.5767 -4.1258 -4.1241 -3.7178 -3.7107 -3.2222 -3.2168 1.1790 1.2020 1.5329 1.6521 1.7617 1.8816 2.3187 2.5167 2.7331 2.9277 3.1694 3.2092 3.6178 3.7205 5.2995 5.3149 7.9147 7.9534 10.4293 10.5020 11.1276 11.1960 13.3291 13.3685 k = 0.2100 0.6102 0.4095 ( 2071 PWs) bands (ev): -22.4720 -22.4719 -17.8616 -17.8616 -5.5889 -5.5800 -4.1218 -4.1201 -3.7127 -3.7052 -3.2282 -3.2229 1.2048 1.2276 1.5358 1.6595 1.7558 1.8754 2.3200 2.5211 2.7277 2.9184 3.1638 3.1995 3.6277 3.7318 5.2683 5.2832 7.9284 7.9673 10.4244 10.4980 11.1647 11.2342 13.2713 13.3075 k = 0.2211 0.6160 0.4039 ( 2072 PWs) bands (ev): -22.4719 -22.4717 -17.8629 -17.8629 -5.5926 -5.5835 -4.1175 -4.1159 -3.7077 -3.6999 -3.2339 -3.2289 1.2305 1.2527 1.5390 1.6674 1.7502 1.8690 2.3217 2.5254 2.7223 2.9085 3.1589 3.1902 3.6371 3.7423 5.2380 5.2524 7.9415 7.9803 10.4189 10.4932 11.2028 11.2733 13.2158 13.2486 k = 0.2321 0.6218 0.3983 ( 2070 PWs) bands (ev): -22.4717 -22.4716 -17.8641 -17.8641 -5.5963 -5.5871 -4.1129 -4.1114 -3.7029 -3.6948 -3.2392 -3.2345 1.2558 1.2770 1.5423 1.6756 1.7447 1.8627 2.3238 2.5294 2.7172 2.8983 3.1546 3.1814 3.6458 3.7517 5.2089 5.2227 7.9540 7.9927 10.4125 10.4875 11.2419 11.3135 13.1627 13.1920 k = 0.2432 0.6276 0.3927 ( 2084 PWs) bands (ev): -22.4716 -22.4714 -17.8654 -17.8654 -5.6002 -5.5908 -4.1081 -4.1066 -3.6984 -3.6901 -3.2442 -3.2398 1.2803 1.3004 1.5455 1.6842 1.7395 1.8565 2.3263 2.5332 2.7122 2.8879 3.1507 3.1731 3.6535 3.7600 5.1810 5.1942 7.9658 8.0042 10.4053 10.4807 11.2821 11.3546 13.1121 13.1377 k = 0.2542 0.6334 0.3871 ( 2084 PWs) bands (ev): -22.4715 -22.4713 -17.8666 -17.8666 -5.6040 -5.5945 -4.1030 -4.1016 -3.6944 -3.6858 -3.2487 -3.2445 1.3038 1.3225 1.5488 1.6931 1.7348 1.8509 2.3291 2.5368 2.7075 2.8777 3.1473 3.1656 3.6602 3.7671 5.1548 5.1673 7.9769 8.0149 10.3969 10.4726 11.3235 11.3969 13.0640 13.0858 k = 0.2653 0.6392 0.3815 ( 2080 PWs) bands (ev): -22.4714 -22.4712 -17.8678 -17.8678 -5.6078 -5.5982 -4.0976 -4.0962 -3.6909 -3.6820 -3.2526 -3.2488 1.3260 1.3431 1.5519 1.7023 1.7306 1.8460 2.3322 2.5402 2.7032 2.8678 3.1442 3.1589 3.6657 3.7728 5.1303 5.1421 7.9873 8.0248 10.3873 10.4630 11.3663 11.4403 13.0183 13.0363 k = 0.2763 0.6450 0.3759 ( 2078 PWs) bands (ev): -22.4713 -22.4711 -17.8690 -17.8690 -5.6116 -5.6020 -4.0919 -4.0906 -3.6879 -3.6789 -3.2560 -3.2524 1.3466 1.3619 1.5548 1.7116 1.7271 1.8420 2.3355 2.5433 2.6992 2.8584 3.1411 3.1532 3.6698 3.7772 5.1078 5.1190 7.9970 8.0340 10.3764 10.4519 11.4104 11.4850 12.9750 12.9893 k = 0.2874 0.6508 0.3702 ( 2074 PWs) bands (ev): -22.4713 -22.4711 -17.8702 -17.8702 -5.6153 -5.6056 -4.0858 -4.0845 -3.6856 -3.6764 -3.2587 -3.2555 1.3653 1.3788 1.5574 1.7204 1.7249 1.8393 2.3389 2.5461 2.6956 2.8496 3.1377 3.1490 3.6724 3.7800 5.0875 5.0980 8.0060 8.0425 10.3639 10.4391 11.4560 11.5311 12.9340 12.9448 k = 0.2984 0.6566 0.3646 ( 2072 PWs) bands (ev): -22.4713 -22.4711 -17.8713 -17.8713 -5.6189 -5.6093 -4.0794 -4.0782 -3.6839 -3.6747 -3.2609 -3.2579 1.3819 1.3935 1.5596 1.7214 1.7310 1.8380 2.3424 2.5486 2.6924 2.8414 3.1336 3.1464 3.6734 3.7812 5.0694 5.0794 8.0144 8.0503 10.3499 10.4246 11.5030 11.5785 12.8952 12.9028 k = 0.3095 0.6624 0.3590 ( 2071 PWs) bands (ev): -22.4713 -22.4712 -17.8724 -17.8724 -5.6225 -5.6128 -4.0726 -4.0715 -3.6830 -3.6738 -3.2624 -3.2597 1.3961 1.4060 1.5615 1.7202 1.7397 1.8385 2.3459 2.5508 2.6896 2.8338 3.1292 3.1449 3.6727 3.7807 5.0540 5.0635 8.0221 8.0575 10.3343 10.4082 11.5516 11.6272 12.8587 12.8633 k = 0.3205 0.6682 0.3534 ( 2071 PWs) bands (ev): -22.4714 -22.4712 -17.8735 -17.8735 -5.6258 -5.6162 -4.0655 -4.0644 -3.6828 -3.6736 -3.2634 -3.2608 1.4076 1.4164 1.5632 1.7196 1.7478 1.8410 2.3493 2.5527 2.6873 2.8269 3.1248 3.1444 3.6703 3.7786 5.0411 5.0503 8.0293 8.0641 10.3171 10.3900 11.6015 11.6773 12.8243 12.8267 k = 0.3316 0.6740 0.3478 ( 2075 PWs) bands (ev): -22.4715 -22.4713 -17.8745 -17.8745 -5.6291 -5.6195 -4.0580 -4.0570 -3.6834 -3.6742 -3.2639 -3.2614 1.4165 1.4249 1.5646 1.7197 1.7549 1.8454 2.3527 2.5541 2.6853 2.8206 3.1205 3.1445 3.6660 3.7748 5.0311 5.0401 8.0360 8.0702 10.2981 10.3700 11.6527 11.7285 12.7919 12.7935 k = 0.3316 0.6740 0.3478 ( 2075 PWs) bands (ev): -22.4715 -22.4713 -17.8745 -17.8745 -5.6291 -5.6195 -4.0580 -4.0570 -3.6834 -3.6742 -3.2639 -3.2614 1.4165 1.4249 1.5646 1.7197 1.7549 1.8454 2.3527 2.5541 2.6853 2.8206 3.1205 3.1445 3.6660 3.7748 5.0311 5.0401 8.0360 8.0702 10.2981 10.3700 11.6527 11.7285 12.7919 12.7935 k = 0.3370 0.6686 0.3366 ( 2075 PWs) bands (ev): -22.4718 -22.4717 -17.8765 -17.8765 -5.6353 -5.6260 -4.0425 -4.0415 -3.6853 -3.6763 -3.2643 -3.2619 1.4312 1.4396 1.5673 1.7201 1.7686 1.8570 2.3591 2.5565 2.6818 2.8085 3.1122 3.1455 3.6556 3.7654 5.0141 5.0230 8.0491 8.0823 10.2587 10.3281 11.7562 11.8319 12.7289 12.7318 k = 0.3424 0.6633 0.3253 ( 2075 PWs) bands (ev): -22.4722 -22.4720 -17.8784 -17.8784 -5.6417 -5.6325 -4.0264 -4.0254 -3.6873 -3.6786 -3.2646 -3.2623 1.4455 1.4537 1.5699 1.7199 1.7833 1.8697 2.3652 2.5583 2.6784 2.7961 3.1041 3.1470 3.6448 3.7557 4.9978 5.0065 8.0626 8.0948 10.2196 10.2863 11.8594 11.9352 12.6668 12.6714 k = 0.3479 0.6579 0.3141 ( 2075 PWs) bands (ev): -22.4726 -22.4724 -17.8804 -17.8804 -5.6481 -5.6391 -4.0098 -4.0089 -3.6893 -3.6808 -3.2649 -3.2627 1.4594 1.4671 1.5724 1.7190 1.7989 1.8835 2.3709 2.5593 2.6750 2.7835 3.0961 3.1489 3.6336 3.7457 4.9823 4.9907 8.0766 8.1076 10.1810 10.2449 11.9607 12.0371 12.6058 12.6126 k = 0.3533 0.6526 0.3029 ( 2075 PWs) bands (ev): -22.4730 -22.4728 -17.8823 -17.8823 -5.6546 -5.6458 -3.9928 -3.9919 -3.6915 -3.6832 -3.2652 -3.2631 1.4728 1.4800 1.5749 1.7177 1.8152 1.8981 2.3760 2.5594 2.6717 2.7711 3.0884 3.1513 3.6221 3.7354 4.9676 4.9758 8.0910 8.1209 10.1430 10.2042 12.0581 12.1361 12.5463 12.5565 k = 0.3587 0.6472 0.2917 ( 2073 PWs) bands (ev): -22.4735 -22.4733 -17.8842 -17.8842 -5.6612 -5.6525 -3.9755 -3.9746 -3.6937 -3.6857 -3.2654 -3.2634 1.4857 1.4922 1.5774 1.7160 1.8323 1.9134 2.3803 2.5584 2.6686 2.7591 3.0813 3.1541 3.6102 3.7248 4.9539 4.9618 8.1058 8.1345 10.1059 10.1643 12.1485 12.2302 12.4894 12.5050 k = 0.3642 0.6419 0.2805 ( 2073 PWs) bands (ev): -22.4740 -22.4738 -17.8861 -17.8861 -5.6677 -5.6593 -3.9578 -3.9570 -3.6959 -3.6882 -3.2656 -3.2636 1.4981 1.5039 1.5798 1.7139 1.8499 1.9293 2.3837 2.5559 2.6658 2.7480 3.0747 3.1573 3.5980 3.7139 4.9411 4.9487 8.1209 8.1484 10.0695 10.1251 12.2248 12.3129 12.4405 12.4643 k = 0.3696 0.6366 0.2692 ( 2061 PWs) bands (ev): -22.4745 -22.4744 -17.8880 -17.8880 -5.6741 -5.6660 -3.9400 -3.9391 -3.6982 -3.6907 -3.2657 -3.2638 1.5099 1.5149 1.5822 1.7115 1.8680 1.9455 2.3862 2.5518 2.6636 2.7381 3.0689 3.1611 3.5855 3.7028 4.9294 4.9367 8.1364 8.1627 10.0340 10.0869 12.2679 12.3406 12.4423 12.4524 k = 0.3750 0.6312 0.2580 ( 2065 PWs) bands (ev): -22.4751 -22.4749 -17.8898 -17.8898 -5.6806 -5.6727 -3.9220 -3.9212 -3.7005 -3.6933 -3.2658 -3.2640 1.5212 1.5254 1.5844 1.7089 1.8864 1.9620 2.3872 2.5456 2.6619 2.7296 3.0638 3.1652 3.5727 3.6915 4.9186 4.9256 8.1521 8.1772 9.9993 10.0495 12.2603 12.2998 12.4859 12.5073 k = 0.3805 0.6259 0.2468 ( 2066 PWs) bands (ev): -22.4756 -22.4755 -17.8916 -17.8916 -5.6869 -5.6793 -3.9040 -3.9032 -3.7029 -3.6959 -3.2659 -3.2642 1.5320 1.5353 1.5867 1.7062 1.9050 1.9788 2.3870 2.5375 2.6608 2.7227 3.0596 3.1699 3.5596 3.6799 4.9088 4.9155 8.1681 8.1921 9.9655 10.0131 12.2241 12.2489 12.5416 12.5761 k = 0.3859 0.6205 0.2356 ( 2070 PWs) bands (ev): -22.4762 -22.4761 -17.8934 -17.8934 -5.6932 -5.6858 -3.8860 -3.8853 -3.7052 -3.6984 -3.2659 -3.2643 1.5422 1.5447 1.5889 1.7032 1.9236 1.9955 2.3854 2.5273 2.6605 2.7175 3.0564 3.1749 3.5462 3.6680 4.9001 4.9064 8.1844 8.2071 9.9326 9.9776 12.1795 12.1973 12.5987 12.6386 k = 0.3913 0.6152 0.2244 ( 2070 PWs) bands (ev): -22.4768 -22.4767 -17.8951 -17.8951 -5.6993 -5.6922 -3.8682 -3.8675 -3.7075 -3.7010 -3.2659 -3.2644 1.5519 1.5536 1.5911 1.7001 1.9423 2.0121 2.3824 2.5154 2.6610 2.7140 3.0542 3.1805 3.5326 3.6560 4.8922 4.8982 8.2008 8.2223 9.9005 9.9431 12.1327 12.1466 12.6503 12.6925 k = 0.3968 0.6098 0.2132 ( 2068 PWs) bands (ev): -22.4774 -22.4773 -17.8967 -17.8967 -5.7053 -5.6985 -3.8506 -3.8499 -3.7097 -3.7035 -3.2659 -3.2644 1.5611 1.5620 1.5933 1.6969 1.9607 2.0286 2.3781 2.5020 2.6624 2.7119 3.0532 3.1865 3.5188 3.6437 4.8853 4.8910 8.2174 8.2377 9.8694 9.9095 12.0860 12.0974 12.6940 12.7371 k = 0.4022 0.6045 0.2019 ( 2068 PWs) bands (ev): -22.4780 -22.4779 -17.8983 -17.8983 -5.7112 -5.7046 -3.8333 -3.8326 -3.7118 -3.7059 -3.2659 -3.2645 1.5697 1.5698 1.5955 1.6936 1.9789 2.0448 2.3725 2.4875 2.6646 2.7110 3.0533 3.1929 3.5049 3.6313 4.8793 4.8846 8.2341 8.2531 9.8392 9.8769 12.0401 12.0498 12.7289 12.7721 k = 0.4076 0.5992 0.1907 ( 2080 PWs) bands (ev): -22.4786 -22.4785 -17.8999 -17.8999 -5.7168 -5.7106 -3.8165 -3.8158 -3.7138 -3.7081 -3.2658 -3.2645 1.5770 1.5778 1.5978 1.6903 1.9967 2.0605 2.3655 2.4720 2.6674 2.7110 3.0545 3.1997 3.4907 3.6187 4.8740 4.8790 8.2507 8.2685 9.8099 9.8453 11.9957 12.0041 12.7548 12.7977 k = 0.4131 0.5938 0.1795 ( 2076 PWs) bands (ev): -22.4792 -22.4791 -17.9014 -17.9014 -5.7222 -5.7163 -3.8002 -3.7996 -3.7155 -3.7102 -3.2657 -3.2645 1.5837 1.5853 1.6003 1.6870 2.0141 2.0758 2.3578 2.4562 2.6710 2.7118 3.0570 3.2070 3.4765 3.6059 4.8696 4.8741 8.2673 8.2839 9.7817 9.8148 11.9530 11.9603 12.7725 12.8144 k = 0.4185 0.5885 0.1683 ( 2072 PWs) bands (ev): -22.4798 -22.4797 -17.9028 -17.9028 -5.7274 -5.7218 -3.7847 -3.7841 -3.7169 -3.7120 -3.2656 -3.2644 1.5896 1.5923 1.6032 1.6836 2.0309 2.0906 2.3494 2.4402 2.6750 2.7132 3.0606 3.2146 3.4621 3.5930 4.8658 4.8701 8.2838 8.2992 9.7546 9.7854 11.9121 11.9186 12.7827 12.8231 k = 0.4239 0.5831 0.1571 ( 2068 PWs) bands (ev): -22.4803 -22.4803 -17.9041 -17.9041 -5.7323 -5.7271 -3.7701 -3.7697 -3.7178 -3.7133 -3.2655 -3.2644 1.5946 1.5987 1.6064 1.6803 2.0470 2.1046 2.3404 2.4242 2.6795 2.7149 3.0653 3.2227 3.4478 3.5800 4.8626 4.8665 8.3000 8.3143 9.7285 9.7571 11.8733 11.8791 12.7863 12.8249 k = 0.4294 0.5778 0.1458 ( 2070 PWs) bands (ev): -22.4809 -22.4808 -17.9054 -17.9054 -5.7370 -5.7321 -3.7570 -3.7569 -3.7177 -3.7137 -3.2653 -3.2643 1.5985 1.6046 1.6103 1.6769 2.0625 2.1179 2.3311 2.4085 2.6842 2.7169 3.0710 3.2310 3.4334 3.5669 4.8600 4.8636 8.3160 8.3291 9.7036 9.7301 11.8367 11.8419 12.7847 12.8210 k = 0.4348 0.5724 0.1346 ( 2070 PWs) bands (ev): -22.4814 -22.4813 -17.9066 -17.9066 -5.7414 -5.7368 -3.7467 -3.7463 -3.7157 -3.7125 -3.2652 -3.2643 1.6016 1.6100 1.6145 1.6736 2.0771 2.1304 2.3218 2.3932 2.6890 2.7190 3.0778 3.2395 3.4190 3.5537 4.8579 4.8611 8.3315 8.3434 9.6800 9.7043 11.8024 11.8070 12.7790 12.8127 k = 0.4402 0.5671 0.1234 ( 2068 PWs) bands (ev): -22.4819 -22.4818 -17.9077 -17.9077 -5.7454 -5.7412 -3.7404 -3.7391 -3.7104 -3.7084 -3.2651 -3.2642 1.6042 1.6147 1.6189 1.6704 2.0909 2.1420 2.3126 2.3785 2.6939 2.7211 3.0856 3.2481 3.4049 3.5404 4.8561 4.8591 8.3465 8.3573 9.6577 9.6799 11.7705 11.7746 12.7703 12.8012 k = 0.4457 0.5617 0.1122 ( 2064 PWs) bands (ev): -22.4823 -22.4823 -17.9087 -17.9087 -5.7492 -5.7454 -3.7377 -3.7357 -3.7023 -3.7013 -3.2649 -3.2642 1.6065 1.6190 1.6233 1.6674 2.1039 2.1526 2.3038 2.3646 2.6987 2.7233 3.0944 3.2566 3.3912 3.5270 4.8548 4.8575 8.3608 8.3706 9.6369 9.6570 11.7411 11.7447 12.7597 12.7876 k = 0.4511 0.5564 0.1010 ( 2064 PWs) bands (ev): -22.4828 -22.4827 -17.9096 -17.9096 -5.7526 -5.7491 -3.7370 -3.7348 -3.6931 -3.6925 -3.2648 -3.2641 1.6086 1.6226 1.6274 1.6645 2.1159 2.1621 2.2955 2.3514 2.7034 2.7252 3.1040 3.2647 3.3783 3.5136 4.8538 4.8562 8.3744 8.3831 9.6176 9.6357 11.7142 11.7174 12.7479 12.7728 k = 0.4565 0.5511 0.0897 ( 2060 PWs) bands (ev): -22.4831 -22.4831 -17.9105 -17.9105 -5.7557 -5.7526 -3.7371 -3.7349 -3.6839 -3.6836 -3.2646 -3.2640 1.6106 1.6255 1.6312 1.6618 2.1270 2.1705 2.2880 2.3392 2.7078 2.7271 3.1144 3.2718 3.3666 3.5002 4.8531 4.8551 8.3871 8.3947 9.6001 9.6161 11.6900 11.6928 12.7359 12.7578 k = 0.4620 0.5457 0.0785 ( 2056 PWs) bands (ev): -22.4835 -22.4835 -17.9112 -17.9112 -5.7584 -5.7557 -3.7375 -3.7355 -3.6753 -3.6751 -3.2645 -3.2640 1.6126 1.6278 1.6347 1.6594 2.1372 2.1776 2.2814 2.3279 2.7120 2.7287 3.1256 3.2767 3.3574 3.4868 4.8525 4.8543 8.3988 8.4053 9.5843 9.5983 11.6685 11.6709 12.7241 12.7430 k = 0.4674 0.5404 0.0673 ( 2056 PWs) bands (ev): -22.4838 -22.4838 -17.9119 -17.9119 -5.7607 -5.7584 -3.7381 -3.7363 -3.6675 -3.6675 -3.2644 -3.2639 1.6145 1.6293 1.6379 1.6573 2.1465 2.1833 2.2761 2.3176 2.7158 2.7300 3.1374 3.2781 3.3520 3.4734 4.8522 4.8537 8.4092 8.4148 9.5704 9.5825 11.6498 11.6518 12.7132 12.7292 k = 0.4728 0.5350 0.0561 ( 2056 PWs) bands (ev): -22.4841 -22.4840 -17.9124 -17.9124 -5.7627 -5.7608 -3.7386 -3.7371 -3.6608 -3.6608 -3.2643 -3.2639 1.6164 1.6302 1.6407 1.6555 2.1549 2.1873 2.2722 2.3082 2.7193 2.7310 3.1497 3.2747 3.3517 3.4601 4.8519 4.8532 8.4184 8.4230 9.5586 9.5686 11.6339 11.6355 12.7034 12.7166 k = 0.4783 0.5297 0.0449 ( 2060 PWs) bands (ev): -22.4843 -22.4842 -17.9129 -17.9129 -5.7643 -5.7627 -3.7391 -3.7378 -3.6552 -3.6552 -3.2642 -3.2639 1.6183 1.6303 1.6431 1.6541 2.1624 2.1898 2.2698 2.2998 2.7223 2.7316 3.1625 3.2668 3.3561 3.4468 4.8518 4.8528 8.4261 8.4298 9.5490 9.5570 11.6208 11.6221 12.6953 12.7057 k = 0.4837 0.5243 0.0337 ( 2058 PWs) bands (ev): -22.4844 -22.4844 -17.9132 -17.9132 -5.7655 -5.7643 -3.7394 -3.7385 -3.6508 -3.6508 -3.2641 -3.2639 1.6202 1.6297 1.6452 1.6529 2.1692 2.1905 2.2692 2.2924 2.7251 2.7320 3.1758 3.2561 3.3638 3.4337 4.8517 4.8525 8.4324 8.4351 9.5415 9.5475 11.6107 11.6116 12.6890 12.6967 k = 0.4891 0.5190 0.0224 ( 2054 PWs) bands (ev): -22.4846 -22.4846 -17.9135 -17.9135 -5.7663 -5.7655 -3.7396 -3.7390 -3.6477 -3.6477 -3.2640 -3.2639 1.6221 1.6287 1.6471 1.6519 2.1751 2.1898 2.2701 2.2860 2.7274 2.7320 3.1893 3.2437 3.3735 3.4208 4.8518 4.8523 8.4371 8.4389 9.5365 9.5405 11.6034 11.6041 12.6847 12.6898 k = 0.4946 0.5136 0.0112 ( 2058 PWs) bands (ev): -22.4846 -22.4846 -17.9136 -17.9136 -5.7667 -5.7663 -3.7397 -3.7394 -3.6458 -3.6458 -3.2640 -3.2639 1.6239 1.6273 1.6485 1.6509 2.1801 2.1876 2.2723 2.2803 2.7291 2.7314 3.2030 3.2304 3.3844 3.4082 4.8518 4.8521 8.4401 8.4410 9.5338 9.5358 11.5991 11.5995 12.6825 12.6851 k = 0.5000 0.5083-0.0000 ( 2058 PWs) bands (ev): -22.4847 -22.4847 -17.9137 -17.9137 -5.7667 -5.7667 -3.7396 -3.7396 -3.6451 -3.6451 -3.2639 -3.2639 1.6257 1.6257 1.6498 1.6498 2.1843 2.1843 2.2757 2.2757 2.7305 2.7305 3.2168 3.2168 3.3961 3.3961 4.8519 4.8519 8.4413 8.4413 9.5336 9.5336 11.5978 11.5978 12.6827 12.6827 k = 0.5000 0.5083-0.0000 ( 2058 PWs) bands (ev): -22.4847 -22.4847 -17.9137 -17.9137 -5.7667 -5.7667 -3.7396 -3.7396 -3.6451 -3.6451 -3.2639 -3.2639 1.6257 1.6257 1.6498 1.6498 2.1843 2.1843 2.2757 2.2757 2.7305 2.7305 3.2168 3.2168 3.3961 3.3961 4.8519 4.8519 8.4413 8.4413 9.5336 9.5336 11.5978 11.5978 12.6827 12.6827 k = 0.4904 0.4985-0.0000 ( 2058 PWs) bands (ev): -22.4847 -22.4847 -17.9136 -17.9136 -5.7666 -5.7660 -3.7400 -3.7394 -3.6451 -3.6450 -3.2645 -3.2642 1.6202 1.6311 1.6501 1.6509 2.1799 2.1819 2.2660 2.2890 2.7284 2.7324 3.2103 3.2223 3.3943 3.3959 4.8535 4.8540 8.4416 8.4426 9.5335 9.5341 11.5924 11.5954 12.6827 12.6933 k = 0.4808 0.4887-0.0000 ( 2058 PWs) bands (ev): -22.4848 -22.4848 -17.9134 -17.9134 -5.7658 -5.7645 -3.7404 -3.7394 -3.6449 -3.6447 -3.2658 -3.2652 1.6143 1.6366 1.6520 1.6532 2.1710 2.1710 2.2614 2.3034 2.7258 2.7338 3.2029 3.2266 3.3905 3.3939 4.8585 4.8596 8.4435 8.4456 9.5338 9.5350 11.5796 11.5855 12.6931 12.7141 k = 0.4712 0.4790-0.0000 ( 2062 PWs) bands (ev): -22.4850 -22.4850 -17.9131 -17.9131 -5.7641 -5.7623 -3.7410 -3.7395 -3.6445 -3.6443 -3.2679 -3.2670 1.6078 1.6425 1.6556 1.6563 2.1526 2.1591 2.2612 2.3177 2.7230 2.7348 3.1946 3.2297 3.3849 3.3902 4.8670 4.8686 8.4468 8.4499 9.5345 9.5363 11.5605 11.5689 12.7125 12.7434 k = 0.4615 0.4692-0.0000 ( 2058 PWs) bands (ev): -22.4853 -22.4852 -17.9126 -17.9126 -5.7617 -5.7593 -3.7419 -3.7399 -3.6439 -3.6437 -3.2706 -3.2694 1.6009 1.6490 1.6602 1.6608 2.1289 2.1449 2.2634 2.3312 2.7198 2.7355 3.1855 3.2313 3.3777 3.3852 4.8787 4.8808 8.4516 8.4558 9.5355 9.5378 11.5366 11.5471 12.7390 12.7790 k = 0.4519 0.4594-0.0000 ( 2054 PWs) bands (ev): -22.4857 -22.4856 -17.9120 -17.9120 -5.7586 -5.7556 -3.7431 -3.7406 -3.6432 -3.6429 -3.2738 -3.2723 1.5933 1.6555 1.6652 1.6676 2.1015 2.1289 2.2664 2.3434 2.7164 2.7358 3.1756 3.2313 3.3693 3.3792 4.8932 4.8958 8.4579 8.4630 9.5367 9.5393 11.5094 11.5217 12.7704 12.8179 k = 0.4423 0.4496-0.0000 ( 2052 PWs) bands (ev): -22.4861 -22.4860 -17.9113 -17.9113 -5.7548 -5.7512 -3.7446 -3.7418 -3.6423 -3.6419 -3.2776 -3.2757 1.5850 1.6611 1.6722 1.6759 2.0715 2.1115 2.2694 2.3544 2.7127 2.7356 3.1647 3.2293 3.3600 3.3727 4.9102 4.9132 8.4653 8.4714 9.5378 9.5408 11.4804 11.4943 12.8047 12.8574 k = 0.4327 0.4399-0.0000 ( 2052 PWs) bands (ev): -22.4866 -22.4865 -17.9104 -17.9104 -5.7503 -5.7461 -3.7467 -3.7435 -3.6413 -3.6408 -3.2815 -3.2793 1.5759 1.6653 1.6816 1.6856 2.0396 2.0930 2.2719 2.3641 2.7087 2.7350 3.1528 3.2250 3.3501 3.3664 4.9293 4.9327 8.4738 8.4808 9.5388 9.5419 11.4512 11.4664 12.8402 12.8955 k = 0.4231 0.4301-0.0000 ( 2048 PWs) bands (ev): -22.4872 -22.4870 -17.9094 -17.9094 -5.7451 -5.7403 -3.7494 -3.7458 -3.6400 -3.6395 -3.2857 -3.2830 1.5660 1.6684 1.6928 1.6965 2.0063 2.0736 2.2739 2.3726 2.7045 2.7341 3.1398 3.2183 3.3403 3.3609 4.9499 4.9538 8.4832 8.4912 9.5393 9.5424 11.4229 11.4394 12.8759 12.9311 k = 0.4135 0.4203-0.0000 ( 2050 PWs) bands (ev): -22.4878 -22.4877 -17.9083 -17.9083 -5.7393 -5.7340 -3.7529 -3.7490 -3.6386 -3.6380 -3.2897 -3.2866 1.5553 1.6707 1.7052 1.7084 1.9720 2.0536 2.2751 2.3799 2.7001 2.7327 3.1254 3.2089 3.3310 3.3565 4.9717 4.9759 8.4934 8.5022 9.5391 9.5420 11.3967 11.4144 12.9116 12.9648 k = 0.4038 0.4105-0.0000 ( 2054 PWs) bands (ev): -22.4885 -22.4884 -17.9071 -17.9070 -5.7330 -5.7271 -3.7572 -3.7531 -3.6370 -3.6363 -3.2935 -3.2899 1.5435 1.6721 1.7188 1.7213 1.9374 2.0333 2.2755 2.3860 2.6954 2.7309 3.1098 3.1970 3.3226 3.3536 4.9942 4.9987 8.5041 8.5137 9.5378 9.5404 11.3735 11.3925 12.9471 12.9972 k = 0.3942 0.4008-0.0000 ( 2046 PWs) bands (ev): -22.4893 -22.4892 -17.9057 -17.9057 -5.7261 -5.7197 -3.7626 -3.7582 -3.6352 -3.6344 -3.2969 -3.2927 1.5308 1.6723 1.7332 1.7348 1.9031 2.0132 2.2751 2.3911 2.6907 2.7287 3.0930 3.1831 3.3157 3.3524 5.0168 5.0216 8.5152 8.5256 9.5353 9.5374 11.3543 11.3746 12.9829 13.0294 k = 0.3846 0.3910-0.0000 ( 2042 PWs) bands (ev): -22.4902 -22.4900 -17.9042 -17.9042 -5.7188 -5.7119 -3.7690 -3.7645 -3.6332 -3.6324 -3.2996 -3.2949 1.5170 1.6707 1.7481 1.7488 1.8699 1.9933 2.2739 2.3951 2.6858 2.7260 3.0751 3.1675 3.3104 3.3527 5.0391 5.0443 8.5263 8.5376 9.5312 9.5326 11.3398 11.3614 13.0193 13.0622 k = 0.3750 0.3812-0.0000 ( 2046 PWs) bands (ev): -22.4911 -22.4909 -17.9026 -17.9026 -5.7111 -5.7037 -3.7767 -3.7721 -3.6310 -3.6301 -3.3016 -3.2963 1.5021 1.6664 1.7629 1.7634 1.8389 1.9741 2.2717 2.3982 2.6808 2.7228 3.0564 3.1509 3.3067 3.3543 5.0607 5.0662 8.5374 8.5494 9.5251 9.5257 11.3305 11.3535 13.0567 13.0961 k = 0.3654 0.3714-0.0000 ( 2042 PWs) bands (ev): -22.4921 -22.4918 -17.9009 -17.9008 -5.7031 -5.6952 -3.7856 -3.7810 -3.6286 -3.6276 -3.3027 -3.2968 1.4861 1.6583 1.7767 1.7786 1.8116 1.9557 2.2687 2.4005 2.6758 2.7193 3.0377 3.1341 3.3048 3.3571 5.0811 5.0870 8.5483 8.5609 9.5165 9.5169 11.3271 11.3516 13.0954 13.1316 k = 0.3558 0.3617-0.0000 ( 2042 PWs) bands (ev): -22.4931 -22.4929 -17.8991 -17.8990 -5.6947 -5.6864 -3.7957 -3.7911 -3.6259 -3.6250 -3.3029 -3.2963 1.4692 1.6450 1.7897 1.7900 1.7934 1.9385 2.2650 2.4019 2.6707 2.7153 3.0192 3.1174 3.3045 3.3610 5.0999 5.1063 8.5587 8.5719 9.5049 9.5063 11.3299 11.3560 13.1356 13.1689 k = 0.3462 0.3519-0.0000 ( 2042 PWs) bands (ev): -22.4942 -22.4939 -17.8972 -17.8971 -5.6862 -5.6774 -3.8070 -3.8025 -3.6231 -3.6221 -3.3021 -3.2948 1.4513 1.6258 1.7740 1.8021 1.8073 1.9224 2.2606 2.4026 2.6659 2.7110 3.0016 3.1014 3.3058 3.3658 5.1170 5.1238 8.5684 8.5822 9.4906 9.4931 11.3393 11.3669 13.1775 13.2082 k = 0.3365 0.3421-0.0000 ( 2047 PWs) bands (ev): -22.4953 -22.4950 -17.8951 -17.8951 -5.6776 -5.6684 -3.8194 -3.8150 -3.6201 -3.6191 -3.3003 -3.2923 1.4327 1.6016 1.7639 1.8127 1.8198 1.9078 2.2558 2.4027 2.6612 2.7064 2.9853 3.0866 3.3085 3.3714 5.1318 5.1392 8.5773 8.5916 9.4738 9.4774 11.3554 11.3847 13.2214 13.2497 k = 0.3269 0.3323-0.0000 ( 2039 PWs) bands (ev): -22.4964 -22.4962 -17.8930 -17.8929 -5.6689 -5.6593 -3.8328 -3.8285 -3.6169 -3.6158 -3.2975 -3.2888 1.4136 1.5741 1.7580 1.8211 1.8303 1.8945 2.2511 2.4024 2.6569 2.7018 2.9711 3.0736 3.3126 3.3779 5.1443 5.1522 8.5851 8.6000 9.4543 9.4590 11.3784 11.4092 13.2673 13.2934 k = 0.3173 0.3226-0.0000 ( 2047 PWs) bands (ev): -22.4977 -22.4974 -17.8908 -17.8907 -5.6602 -5.6504 -3.8471 -3.8430 -3.6134 -3.6123 -3.2939 -3.2846 1.3941 1.5448 1.7548 1.8269 1.8381 1.8825 2.2466 2.4016 2.6530 2.6973 2.9591 3.0624 3.3177 3.3850 5.1541 5.1626 8.5918 8.6071 9.4323 9.4381 11.4083 11.4406 13.3152 13.3395 k = 0.3077 0.3128-0.0000 ( 2051 PWs) bands (ev): -22.4989 -22.4987 -17.8885 -17.8884 -5.6517 -5.6415 -3.8620 -3.8581 -3.6098 -3.6086 -3.2896 -3.2795 1.3745 1.5150 1.7532 1.8299 1.8424 1.8717 2.2430 2.4008 2.6496 2.6931 2.9498 3.0535 3.3238 3.3927 5.1611 5.1703 8.5972 8.6129 9.4079 9.4147 11.4449 11.4787 13.3653 13.3879 k = 0.2981 0.3030-0.0000 ( 2051 PWs) bands (ev): -22.5002 -22.4999 -17.8861 -17.8860 -5.6433 -5.6329 -3.8774 -3.8736 -3.6059 -3.6048 -3.2845 -3.2739 1.3551 1.4856 1.7527 1.8299 1.8427 1.8613 2.2408 2.4003 2.6469 2.6894 2.9433 3.0471 3.3308 3.4010 5.1652 5.1752 8.6012 8.6172 9.3814 9.3891 11.4882 11.5232 13.4176 13.4387 k = 0.2885 0.2932-0.0000 ( 2051 PWs) bands (ev): -22.5015 -22.5012 -17.8837 -17.8836 -5.6353 -5.6247 -3.8930 -3.8895 -3.6019 -3.6007 -3.2790 -3.2677 1.3361 1.4570 1.7528 1.8273 1.8384 1.8505 2.2405 2.4001 2.6448 2.6865 2.9397 3.0433 3.3388 3.4098 5.1663 5.1772 8.6037 8.6200 9.3529 9.3614 11.5377 11.5740 13.4720 13.4919 k = 0.2788 0.2835-0.0000 ( 2055 PWs) bands (ev): -22.5028 -22.5026 -17.8812 -17.8811 -5.6276 -5.6168 -3.9086 -3.9054 -3.5977 -3.5964 -3.2731 -3.2612 1.3177 1.4296 1.7532 1.8225 1.8295 1.8388 2.2421 2.4006 2.6434 2.6845 2.9392 3.0423 3.3474 3.4192 5.1643 5.1761 8.6046 8.6212 9.3228 9.3319 11.5934 11.6308 13.5285 13.5473 k = 0.2692 0.2737-0.0000 ( 2055 PWs) bands (ev): -22.5042 -22.5039 -17.8786 -17.8785 -5.6203 -5.6094 -3.9241 -3.9211 -3.5932 -3.5920 -3.2669 -3.2545 1.3002 1.4037 1.7536 1.8140 1.8160 1.8276 2.2457 2.4017 2.6427 2.6833 2.9419 3.0441 3.3568 3.4290 5.1593 5.1721 8.6039 8.6208 9.2912 9.3008 11.6549 11.6933 13.5872 13.6050 k = 0.2596 0.2639-0.0000 ( 2053 PWs) bands (ev): -22.5055 -22.5053 -17.8760 -17.8760 -5.6136 -5.6026 -3.9392 -3.9365 -3.5887 -3.5874 -3.2606 -3.2477 1.2838 1.3796 1.7534 1.7985 1.7988 1.8201 2.2512 2.4034 2.6425 2.6829 2.9477 3.0488 3.3669 3.4394 5.1512 5.1651 8.6016 8.6186 9.2584 9.2684 11.7220 11.7612 13.6479 13.6649 k = 0.2500 0.2541-0.0000 ( 2049 PWs) bands (ev): -22.5069 -22.5066 -17.8734 -17.8733 -5.6074 -5.5964 -3.9538 -3.9514 -3.5839 -3.5827 -3.2543 -3.2409 1.2687 1.3573 1.7506 1.7775 1.7804 1.8149 2.2580 2.4057 2.6428 2.6831 2.9566 3.0563 3.3775 3.4502 5.1402 5.1552 8.5976 8.6147 9.2247 9.2350 11.7942 11.8342 13.7106 13.7269 k = 0.2404 0.2444-0.0000 ( 2045 PWs) bands (ev): -22.5083 -22.5080 -17.8707 -17.8706 -5.6019 -5.5909 -3.9677 -3.9656 -3.5790 -3.5778 -3.2482 -3.2344 1.2550 1.3371 1.7380 1.7531 1.7685 1.8107 2.2658 2.4083 2.6436 2.6839 2.9687 3.0666 3.3888 3.4614 5.1262 5.1425 8.5920 8.6092 9.1904 9.2008 11.8714 11.9120 13.7752 13.7909 k = 0.2308 0.2346-0.0000 ( 2043 PWs) bands (ev): -22.5097 -22.5094 -17.8680 -17.8680 -5.5971 -5.5862 -3.9807 -3.9790 -3.5740 -3.5728 -3.2423 -3.2282 1.2428 1.3189 1.7138 1.7257 1.7656 1.8071 2.2742 2.4110 2.6447 2.6849 2.9837 3.0795 3.4004 3.4729 5.1095 5.1270 8.5848 8.6020 9.1556 9.1661 11.9532 11.9944 13.8414 13.8568 k = 0.2212 0.2248-0.0000 ( 2047 PWs) bands (ev): -22.5110 -22.5108 -17.8654 -17.8653 -5.5930 -5.5822 -3.9927 -3.9914 -3.5689 -3.5677 -3.2368 -3.2223 1.2323 1.3029 1.6846 1.6962 1.7655 1.8038 2.2828 2.4137 2.6459 2.6859 3.0015 3.0949 3.4125 3.4848 5.0902 5.1091 8.5761 8.5932 9.1207 9.1310 12.0393 12.0810 13.9093 13.9244 k = 0.2115 0.2150-0.0000 ( 2047 PWs) bands (ev): -22.5124 -22.5121 -17.8627 -17.8626 -5.5896 -5.5790 -4.0036 -4.0027 -3.5638 -3.5625 -3.2317 -3.2170 1.2234 1.2890 1.6530 1.6649 1.7662 1.8010 2.2913 2.4162 2.6473 2.6870 3.0219 3.1126 3.4251 3.4969 5.0684 5.0887 8.5659 8.5830 9.0857 9.0959 12.1295 12.1717 13.9787 13.9936 k = 0.2019 0.2053-0.0000 ( 2047 PWs) bands (ev): -22.5137 -22.5135 -17.8600 -17.8600 -5.5870 -5.5766 -4.0134 -4.0128 -3.5585 -3.5573 -3.2271 -3.2122 1.2163 1.2772 1.6202 1.6325 1.7671 1.7986 2.2996 2.4185 2.6487 2.6879 3.0447 3.1325 3.4381 3.5094 5.0443 5.0660 8.5544 8.5713 9.0510 9.0609 12.2236 12.2661 14.0493 14.0642 k = 0.1923 0.1955-0.0000 ( 2045 PWs) bands (ev): -22.5151 -22.5148 -17.8574 -17.8573 -5.5852 -5.5751 -4.0219 -4.0217 -3.5532 -3.5520 -3.2231 -3.2081 1.2109 1.2676 1.5866 1.5993 1.7682 1.7965 2.3075 2.4204 2.6501 2.6886 3.0694 3.1542 3.4515 3.5221 5.0182 5.0414 8.5416 8.5583 9.0166 9.0262 12.3214 12.3641 14.1209 14.1360 k = 0.1827 0.1857-0.0000 ( 2041 PWs) bands (ev): -22.5164 -22.5161 -17.8548 -17.8547 -5.5842 -5.5744 -4.0293 -4.0291 -3.5479 -3.5467 -3.2196 -3.2046 1.2071 1.2601 1.5527 1.5657 1.7693 1.7947 2.3150 2.4219 2.6515 2.6891 3.0958 3.1774 3.4653 3.5350 4.9902 5.0149 8.5277 8.5442 8.9829 8.9921 12.4226 12.4655 14.1934 14.2089 k = 0.1731 0.1759-0.0000 ( 2041 PWs) bands (ev): -22.5176 -22.5174 -17.8523 -17.8522 -5.5838 -5.5744 -4.0356 -4.0351 -3.5426 -3.5414 -3.2168 -3.2018 1.2051 1.2545 1.5189 1.5322 1.7704 1.7932 2.3218 2.4230 2.6528 2.6893 3.1233 3.2018 3.4795 3.5480 4.9607 4.9868 8.5130 8.5291 8.9499 8.9586 12.5270 12.5702 14.2665 14.2824 k = 0.1635 0.1662-0.0000 ( 2041 PWs) bands (ev): -22.5188 -22.5186 -17.8498 -17.8497 -5.5842 -5.5751 -4.0407 -4.0398 -3.5374 -3.5362 -3.2147 -3.1997 1.2045 1.2507 1.4855 1.4991 1.7716 1.7919 2.3281 2.4235 2.6540 2.6894 3.1518 3.2271 3.4940 3.5612 4.9299 4.9575 8.4974 8.5132 8.9177 8.9260 12.6345 12.6778 14.3398 14.3564 k = 0.1538 0.1564-0.0000 ( 2045 PWs) bands (ev): -22.5200 -22.5198 -17.8474 -17.8473 -5.5852 -5.5765 -4.0445 -4.0433 -3.5322 -3.5311 -3.2131 -3.1984 1.2053 1.2487 1.4528 1.4666 1.7727 1.7908 2.3338 2.4236 2.6551 2.6891 3.1807 3.2529 3.5088 3.5744 4.8981 4.9270 8.4813 8.4966 8.8867 8.8944 12.7449 12.7884 14.4131 14.4306 k = 0.1442 0.1466-0.0000 ( 2053 PWs) bands (ev): -22.5212 -22.5210 -17.8450 -17.8450 -5.5867 -5.5785 -4.0472 -4.0457 -3.5271 -3.5261 -3.2122 -3.1978 1.2074 1.2483 1.4210 1.4351 1.7737 1.7899 2.3390 2.4232 2.6562 2.6887 3.2097 3.2788 3.5238 3.5876 4.8656 4.8957 8.4647 8.4795 8.8568 8.8640 12.8582 12.9018 14.4859 14.5046 k = 0.1346 0.1368-0.0000 ( 2053 PWs) bands (ev): -22.5223 -22.5221 -17.8428 -17.8427 -5.5887 -5.5810 -4.0488 -4.0470 -3.5222 -3.5212 -3.2119 -3.1978 1.2106 1.2493 1.3905 1.4050 1.7748 1.7892 2.3437 2.4225 2.6572 2.6881 3.2386 3.3047 3.5391 3.6008 4.8328 4.8639 8.4479 8.4621 8.8282 8.8349 12.9740 13.0178 14.5579 14.5781 k = 0.1250 0.1271-0.0000 ( 2049 PWs) bands (ev): -22.5233 -22.5231 -17.8407 -17.8406 -5.5911 -5.5839 -4.0494 -4.0474 -3.5174 -3.5164 -3.2120 -3.1984 1.2145 1.2514 1.3615 1.3765 1.7759 1.7887 2.3479 2.4214 2.6582 2.6874 3.2671 3.3302 3.5546 3.6139 4.8000 4.8319 8.4312 8.4447 8.8011 8.8072 13.0924 13.1364 14.6286 14.6506 k = 0.1154 0.1173-0.0000 ( 2049 PWs) bands (ev): -22.5243 -22.5241 -17.8386 -17.8386 -5.5938 -5.5872 -4.0491 -4.0469 -3.5128 -3.5119 -3.2127 -3.1996 1.2187 1.2544 1.3341 1.3501 1.7769 1.7882 2.3518 2.4199 2.6591 2.6865 3.2948 3.3548 3.5701 3.6267 4.7675 4.7999 8.4146 8.4274 8.7755 8.7811 13.2132 13.2574 14.6975 14.7217 k = 0.1058 0.1075-0.0000 ( 2049 PWs) bands (ev): -22.5252 -22.5250 -17.8367 -17.8367 -5.5968 -5.5906 -4.0481 -4.0457 -3.5085 -3.5076 -3.2137 -3.2013 1.2227 1.2577 1.3089 1.3262 1.7779 1.7879 2.3553 2.4181 2.6600 2.6855 3.3215 3.3784 3.5856 3.6391 4.7357 4.7684 8.3985 8.4105 8.7516 8.7566 13.3363 13.3807 14.7639 14.7909 k = 0.0962 0.0977-0.0000 ( 2045 PWs) bands (ev): -22.5260 -22.5259 -17.8349 -17.8349 -5.5998 -5.5942 -4.0464 -4.0440 -3.5044 -3.5036 -3.2150 -3.2033 1.2254 1.2597 1.2875 1.3060 1.7790 1.7877 2.3586 2.4159 2.6610 2.6844 3.3470 3.4006 3.6011 3.6511 4.7051 4.7375 8.3830 8.3942 8.7295 8.7339 13.4614 13.5063 14.8272 14.8576 k = 0.0865 0.0880-0.0000 ( 2047 PWs) bands (ev): -22.5268 -22.5267 -17.8333 -17.8333 -5.6028 -5.5978 -4.0443 -4.0419 -3.5005 -3.4998 -3.2166 -3.2057 1.2250 1.2530 1.2770 1.2910 1.7799 1.7876 2.3615 2.4135 2.6619 2.6832 3.3711 3.4211 3.6161 3.6625 4.6759 4.7077 8.3683 8.3786 8.7091 8.7131 13.5886 13.6339 14.8864 14.9212 k = 0.0769 0.0782-0.0000 ( 2045 PWs) bands (ev): -22.5275 -22.5274 -17.8318 -17.8318 -5.6058 -5.6013 -4.0419 -4.0395 -3.4970 -3.4964 -3.2182 -3.2083 1.2199 1.2366 1.2785 1.2829 1.7809 1.7875 2.3644 2.4109 2.6629 2.6820 3.3936 3.4398 3.6307 3.6730 4.6487 4.6794 8.3546 8.3639 8.6908 8.6942 13.7175 13.7634 14.9407 14.9811 k = 0.0673 0.0684-0.0000 ( 2041 PWs) bands (ev): -22.5281 -22.5280 -17.8305 -17.8305 -5.6086 -5.6047 -4.0393 -4.0370 -3.4939 -3.4933 -3.2199 -3.2109 1.2104 1.2196 1.2812 1.2827 1.7818 1.7875 2.3671 2.4080 2.6638 2.6807 3.4145 3.4564 3.6447 3.6826 4.6239 4.6527 8.3422 8.3504 8.6744 8.6774 13.8480 13.8947 14.9886 15.0365 k = 0.0577 0.0586-0.0000 ( 2037 PWs) bands (ev): -22.5287 -22.5286 -17.8293 -17.8293 -5.6112 -5.6078 -4.0366 -4.0346 -3.4911 -3.4906 -3.2215 -3.2136 1.1991 1.2043 1.2832 1.2872 1.7827 1.7874 2.3698 2.4051 2.6648 2.6794 3.4334 3.4706 3.6578 3.6911 4.6018 4.6282 8.3311 8.3383 8.6601 8.6626 13.9797 14.0275 15.0285 15.0863 k = 0.0481 0.0489-0.0000 ( 2029 PWs) bands (ev): -22.5291 -22.5290 -17.8283 -17.8283 -5.6134 -5.6106 -4.0341 -4.0323 -3.4886 -3.4882 -3.2229 -3.2162 1.1881 1.1910 1.2868 1.2914 1.7835 1.7874 2.3725 2.4020 2.6658 2.6781 3.4504 3.4823 3.6699 3.6982 4.5828 4.6062 8.3215 8.3276 8.6479 8.6500 14.1122 14.1612 15.0577 15.1293 k = 0.0385 0.0391-0.0000 ( 2029 PWs) bands (ev): -22.5295 -22.5294 -17.8275 -17.8275 -5.6153 -5.6131 -4.0318 -4.0303 -3.4866 -3.4863 -3.2240 -3.2186 1.1784 1.1800 1.2907 1.2950 1.7842 1.7873 2.3751 2.3989 2.6669 2.6768 3.4651 3.4914 3.6807 3.7037 4.5673 4.5870 8.3136 8.3185 8.6379 8.6395 14.2445 14.2952 15.0716 15.1625 k = 0.0288 0.0293-0.0000 ( 2033 PWs) bands (ev): -22.5298 -22.5298 -17.8269 -17.8269 -5.6168 -5.6151 -4.0299 -4.0287 -3.4850 -3.4848 -3.2248 -3.2207 1.1704 1.1714 1.2942 1.2978 1.7849 1.7872 2.3778 2.3957 2.6680 2.6754 3.4776 3.4977 3.6900 3.7075 4.5556 4.5710 8.3075 8.3112 8.6301 8.6313 14.3753 14.4278 15.0636 15.1773 k = 0.0192 0.0195-0.0000 ( 2029 PWs) bands (ev): -22.5300 -22.5300 -17.8264 -17.8264 -5.6178 -5.6166 -4.0283 -4.0275 -3.4839 -3.4837 -3.2253 -3.2225 1.1647 1.1652 1.2972 1.2997 1.7855 1.7870 2.3806 2.3926 2.6691 2.6741 3.4876 3.5012 3.6976 3.7094 4.5479 4.5585 8.3032 8.3057 8.6246 8.6254 14.5015 14.5544 15.0277 15.1449 k = 0.0096 0.0098-0.0000 ( 2033 PWs) bands (ev): -22.5301 -22.5301 -17.8261 -17.8261 -5.6183 -5.6177 -4.0273 -4.0269 -3.4832 -3.4831 -3.2253 -3.2239 1.1612 1.1614 1.2993 1.3006 1.7860 1.7867 2.3834 2.3894 2.6703 2.6728 3.4951 3.5020 3.7035 3.7094 4.5443 4.5497 8.3009 8.3021 8.6213 8.6217 14.6149 14.6591 14.9776 15.0566 k = 0.0000 0.0000 0.0000 ( 2025 PWs) bands (ev): -22.5302 -22.5302 -17.8260 -17.8260 -5.6182 -5.6182 -4.0268 -4.0268 -3.4829 -3.4829 -3.2248 -3.2248 1.1602 1.1602 1.3005 1.3005 1.7864 1.7864 2.3864 2.3864 2.6715 2.6715 3.4999 3.4999 3.7075 3.7075 4.5450 4.5450 8.3005 8.3005 8.6204 8.6204 14.6875 14.6875 14.9768 14.9768 k = 0.0000 0.0000 0.0000 ( 2025 PWs) bands (ev): -22.5302 -22.5302 -17.8260 -17.8260 -5.6182 -5.6182 -4.0268 -4.0268 -3.4829 -3.4829 -3.2248 -3.2248 1.1602 1.1602 1.3005 1.3005 1.7864 1.7864 2.3864 2.3864 2.6715 2.6715 3.4999 3.4999 3.7075 3.7075 4.5450 4.5450 8.3005 8.3005 8.6204 8.6204 14.6875 14.6875 14.9768 14.9768 k = 0.0082-0.0081 0.0078 ( 2033 PWs) bands (ev): -22.5301 -22.5301 -17.8261 -17.8261 -5.6188 -5.6188 -4.0270 -4.0270 -3.4831 -3.4831 -3.2247 -3.2247 1.1604 1.1604 1.3014 1.3014 1.7887 1.7887 2.3866 2.3866 2.6718 2.6718 3.4996 3.4996 3.7065 3.7065 4.5450 4.5450 8.3002 8.3002 8.6182 8.6182 14.6847 14.6847 14.9470 14.9470 k = 0.0164-0.0161 0.0156 ( 2035 PWs) bands (ev): -22.5300 -22.5300 -17.8263 -17.8263 -5.6204 -5.6204 -4.0276 -4.0276 -3.4836 -3.4836 -3.2246 -3.2246 1.1614 1.1614 1.3042 1.3042 1.7957 1.7957 2.3873 2.3873 2.6728 2.6728 3.4988 3.4988 3.7037 3.7037 4.5450 4.5450 8.2991 8.2991 8.6115 8.6115 14.6755 14.6755 14.8786 14.8786 k = 0.0246-0.0242 0.0235 ( 2035 PWs) bands (ev): -22.5297 -22.5297 -17.8266 -17.8266 -5.6231 -5.6231 -4.0286 -4.0286 -3.4845 -3.4845 -3.2242 -3.2242 1.1630 1.1630 1.3088 1.3088 1.8071 1.8071 2.3886 2.3886 2.6745 2.6745 3.4974 3.4974 3.6990 3.6990 4.5451 4.5451 8.2974 8.2974 8.6005 8.6005 14.6569 14.6569 14.7989 14.7989 k = 0.0328-0.0323 0.0313 ( 2039 PWs) bands (ev): -22.5294 -22.5294 -17.8271 -17.8271 -5.6269 -5.6269 -4.0299 -4.0299 -3.4857 -3.4857 -3.2238 -3.2238 1.1652 1.1652 1.3152 1.3152 1.8230 1.8230 2.3903 2.3903 2.6767 2.6767 3.4954 3.4954 3.6926 3.6926 4.5453 4.5453 8.2950 8.2950 8.5851 8.5851 14.6188 14.6188 14.7286 14.7286 k = 0.0410-0.0404 0.0391 ( 2035 PWs) bands (ev): -22.5290 -22.5290 -17.8276 -17.8276 -5.6317 -5.6317 -4.0315 -4.0315 -3.4873 -3.4873 -3.2233 -3.2233 1.1681 1.1681 1.3235 1.3235 1.8429 1.8429 2.3926 2.3926 2.6797 2.6797 3.4929 3.4929 3.6846 3.6846 4.5456 4.5456 8.2920 8.2920 8.5657 8.5657 14.5504 14.5504 14.6828 14.6828 k = 0.0492-0.0484 0.0469 ( 2039 PWs) bands (ev): -22.5285 -22.5285 -17.8283 -17.8283 -5.6375 -5.6375 -4.0333 -4.0333 -3.4892 -3.4892 -3.2226 -3.2226 1.1716 1.1716 1.3335 1.3335 1.8667 1.8667 2.3956 2.3956 2.6833 2.6833 3.4895 3.4895 3.6749 3.6749 4.5460 4.5460 8.2884 8.2884 8.5422 8.5422 14.4639 14.4639 14.6513 14.6513 k = 0.0575-0.0565 0.0547 ( 2029 PWs) bands (ev): -22.5279 -22.5279 -17.8291 -17.8291 -5.6442 -5.6442 -4.0353 -4.0353 -3.4914 -3.4914 -3.2219 -3.2219 1.1756 1.1756 1.3454 1.3454 1.8941 1.8941 2.3993 2.3993 2.6877 2.6877 3.4854 3.4854 3.6638 3.6638 4.5466 4.5466 8.2842 8.2842 8.5149 8.5149 14.3718 14.3718 14.6222 14.6222 k = 0.0657-0.0646 0.0626 ( 2027 PWs) bands (ev): -22.5272 -22.5272 -17.8300 -17.8300 -5.6519 -5.6519 -4.0373 -4.0373 -3.4939 -3.4939 -3.2210 -3.2210 1.1803 1.1803 1.3590 1.3590 1.9244 1.9244 2.4038 2.4038 2.6927 2.6927 3.4804 3.4804 3.6515 3.6515 4.5474 4.5474 8.2795 8.2795 8.4841 8.4841 14.2785 14.2785 14.5916 14.5916 k = 0.0739-0.0727 0.0704 ( 2031 PWs) bands (ev): -22.5265 -22.5265 -17.8311 -17.8311 -5.6604 -5.6604 -4.0394 -4.0394 -3.4967 -3.4967 -3.2201 -3.2201 1.1855 1.1855 1.3743 1.3743 1.9571 1.9571 2.4092 2.4092 2.6983 2.6983 3.4743 3.4743 3.6382 3.6382 4.5485 4.5485 8.2743 8.2743 8.4501 8.4501 14.1859 14.1859 14.5584 14.5584 k = 0.0821-0.0807 0.0782 ( 2039 PWs) bands (ev): -22.5257 -22.5257 -17.8322 -17.8322 -5.6696 -5.6696 -4.0414 -4.0414 -3.4998 -3.4998 -3.2192 -3.2192 1.1913 1.1913 1.3914 1.3914 1.9915 1.9915 2.4158 2.4158 2.7046 2.7046 3.4668 3.4668 3.6242 3.6242 4.5499 4.5499 8.2686 8.2686 8.4131 8.4131 14.0944 14.0944 14.5220 14.5220 k = 0.0903-0.0888 0.0860 ( 2039 PWs) bands (ev): -22.5248 -22.5248 -17.8335 -17.8335 -5.6795 -5.6795 -4.0432 -4.0432 -3.5031 -3.5031 -3.2182 -3.2182 1.1976 1.1976 1.4102 1.4102 2.0269 2.0269 2.4239 2.4239 2.7116 2.7116 3.4579 3.4579 3.6100 3.6100 4.5517 4.5517 8.2623 8.2623 8.3737 8.3737 14.0045 14.0045 14.4824 14.4824 k = 0.0985-0.0969 0.0938 ( 2043 PWs) bands (ev): -22.5238 -22.5238 -17.8348 -17.8348 -5.6900 -5.6900 -4.0448 -4.0448 -3.5066 -3.5066 -3.2172 -3.2172 1.2044 1.2044 1.4307 1.4307 2.0624 2.0624 2.4336 2.4336 2.7194 2.7194 3.4471 3.4471 3.5958 3.5958 4.5541 4.5541 8.2550 8.2550 8.3328 8.3328 13.9165 13.9165 14.4394 14.4394 k = 0.1067-0.1050 0.1017 ( 2043 PWs) bands (ev): -22.5228 -22.5228 -17.8363 -17.8363 -5.7011 -5.7011 -4.0461 -4.0461 -3.5104 -3.5104 -3.2162 -3.2162 1.2118 1.2118 1.4529 1.4529 2.0969 2.0969 2.4454 2.4454 2.7281 2.7281 3.4342 3.4342 3.5821 3.5821 4.5571 4.5571 8.2451 8.2451 8.2924 8.2924 13.8304 13.8304 14.3931 14.3931 k = 0.1149-0.1130 0.1095 ( 2043 PWs) bands (ev): -22.5217 -22.5217 -17.8378 -17.8378 -5.7126 -5.7126 -4.0469 -4.0469 -3.5144 -3.5144 -3.2152 -3.2152 1.2196 1.2196 1.4767 1.4767 2.1296 2.1296 2.4594 2.4594 2.7378 2.7378 3.4191 3.4191 3.5692 3.5692 4.5608 4.5608 8.2241 8.2241 8.2616 8.2616 13.7464 13.7464 14.3436 14.3436 k = 0.1231-0.1211 0.1173 ( 2041 PWs) bands (ev): -22.5206 -22.5206 -17.8395 -17.8395 -5.7243 -5.7243 -4.0474 -4.0474 -3.5185 -3.5185 -3.2143 -3.2143 1.2279 1.2279 1.5022 1.5022 2.1594 2.1594 2.4758 2.4758 2.7484 2.7484 3.4016 3.4016 3.5573 3.5573 4.5654 4.5654 8.1855 8.1855 8.2476 8.2476 13.6645 13.6645 14.2910 14.2910 k = 0.1313-0.1292 0.1251 ( 2037 PWs) bands (ev): -22.5194 -22.5194 -17.8412 -17.8412 -5.7364 -5.7364 -4.0473 -4.0473 -3.5228 -3.5228 -3.2134 -3.2134 1.2367 1.2367 1.5293 1.5293 2.1858 2.1858 2.4945 2.4945 2.7603 2.7603 3.3819 3.3819 3.5465 3.5465 4.5709 4.5709 8.1405 8.1405 8.2394 8.2394 13.5847 13.5847 14.2355 14.2355 k = 0.1395-0.1372 0.1330 ( 2041 PWs) bands (ev): -22.5182 -22.5182 -17.8430 -17.8430 -5.7485 -5.7485 -4.0468 -4.0468 -3.5272 -3.5272 -3.2125 -3.2125 1.2458 1.2458 1.5580 1.5580 2.2082 2.2082 2.5147 2.5147 2.7734 2.7735 3.3601 3.3601 3.5367 3.5367 4.5775 4.5775 8.0943 8.0943 8.2328 8.2328 13.5071 13.5071 14.1771 14.1771 k = 0.1477-0.1453 0.1408 ( 2045 PWs) bands (ev): -22.5169 -22.5169 -17.8449 -17.8449 -5.7606 -5.7606 -4.0457 -4.0457 -3.5317 -3.5317 -3.2117 -3.2117 1.2554 1.2554 1.5882 1.5882 2.2267 2.2267 2.5356 2.5356 2.7881 2.7881 3.3365 3.3365 3.5279 3.5279 4.5852 4.5852 8.0482 8.0482 8.2269 8.2269 13.4316 13.4316 14.1162 14.1162 k = 0.1559-0.1534 0.1486 ( 2043 PWs) bands (ev): -22.5157 -22.5157 -17.8468 -17.8468 -5.7727 -5.7727 -4.0440 -4.0440 -3.5363 -3.5363 -3.2110 -3.2110 1.2654 1.2654 1.6200 1.6200 2.2417 2.2417 2.5560 2.5560 2.8044 2.8044 3.3115 3.3115 3.5198 3.5198 4.5942 4.5942 8.0031 8.0031 8.2216 8.2216 13.3584 13.3584 14.0527 14.0527 k = 0.1641-0.1615 0.1564 ( 2051 PWs) bands (ev): -22.5144 -22.5144 -17.8488 -17.8488 -5.7845 -5.7845 -4.0417 -4.0417 -3.5410 -3.5410 -3.2105 -3.2105 1.2757 1.2757 1.6531 1.6531 2.2536 2.2536 2.5748 2.5748 2.8218 2.8218 3.2853 3.2853 3.5123 3.5123 4.6044 4.6044 7.9598 7.9598 8.2169 8.2169 13.2874 13.2874 13.9870 13.9870 k = 0.1724-0.1695 0.1642 ( 2063 PWs) bands (ev): -22.5131 -22.5131 -17.8509 -17.8509 -5.7961 -5.7961 -4.0387 -4.0387 -3.5457 -3.5457 -3.2100 -3.2100 1.2863 1.2863 1.6877 1.6877 2.2631 2.2631 2.5910 2.5910 2.8400 2.8400 3.2583 3.2583 3.5052 3.5052 4.6161 4.6161 7.9190 7.9190 8.2128 8.2128 13.2186 13.2186 13.9193 13.9193 k = 0.1806-0.1776 0.1721 ( 2063 PWs) bands (ev): -22.5118 -22.5118 -17.8530 -17.8530 -5.8072 -5.8072 -4.0351 -4.0351 -3.5504 -3.5504 -3.2097 -3.2097 1.2973 1.2973 1.7236 1.7236 2.2706 2.2706 2.6043 2.6043 2.8586 2.8586 3.2310 3.2310 3.4985 3.4985 4.6291 4.6291 7.8813 7.8813 8.2094 8.2094 13.1521 13.1521 13.8496 13.8496 k = 0.1888-0.1857 0.1799 ( 2065 PWs) bands (ev): -22.5105 -22.5105 -17.8551 -17.8551 -5.8179 -5.8179 -4.0310 -4.0310 -3.5552 -3.5552 -3.2095 -3.2095 1.3085 1.3085 1.7608 1.7608 2.2765 2.2765 2.6143 2.6143 2.8763 2.8763 3.2035 3.2035 3.4922 3.4922 4.6434 4.6434 7.8475 7.8475 8.2066 8.2066 13.0877 13.0877 13.7782 13.7782 k = 0.1970-0.1938 0.1877 ( 2065 PWs) bands (ev): -22.5091 -22.5091 -17.8573 -17.8573 -5.8279 -5.8279 -4.0261 -4.0261 -3.5599 -3.5599 -3.2095 -3.2095 1.3200 1.3200 1.7992 1.7992 2.2810 2.2810 2.6210 2.6210 2.8925 2.8925 3.1761 3.1762 3.4860 3.4860 4.6588 4.6588 7.8183 7.8183 8.2045 8.2045 13.0257 13.0257 13.7053 13.7053 k = 0.2052-0.2018 0.1955 ( 2061 PWs) bands (ev): -22.5078 -22.5078 -17.8595 -17.8595 -5.8374 -5.8374 -4.0207 -4.0207 -3.5645 -3.5645 -3.2097 -3.2097 1.3317 1.3317 1.8386 1.8386 2.2846 2.2846 2.6246 2.6246 2.9063 2.9063 3.1491 3.1491 3.4799 3.4800 4.6753 4.6753 7.7944 7.7944 8.2033 8.2033 12.9658 12.9658 13.6310 13.6310 k = 0.2134-0.2099 0.2033 ( 2061 PWs) bands (ev): -22.5065 -22.5065 -17.8618 -17.8618 -5.8461 -5.8461 -4.0147 -4.0147 -3.5692 -3.5692 -3.2100 -3.2100 1.3436 1.3436 1.8790 1.8790 2.2873 2.2873 2.6249 2.6249 2.9171 2.9171 3.1225 3.1225 3.4740 3.4740 4.6924 4.6924 7.7763 7.7763 8.2029 8.2029 12.9082 12.9082 13.5556 13.5556 k = 0.2216-0.2180 0.2112 ( 2063 PWs) bands (ev): -22.5052 -22.5052 -17.8640 -17.8640 -5.8540 -5.8540 -4.0082 -4.0082 -3.5737 -3.5737 -3.2105 -3.2105 1.3557 1.3557 1.9202 1.9202 2.2892 2.2892 2.6221 2.6221 2.9244 2.9244 3.0964 3.0964 3.4682 3.4682 4.7099 4.7099 7.7646 7.7646 8.2033 8.2033 12.8529 12.8529 13.4792 13.4792 k = 0.2298-0.2261 0.2190 ( 2063 PWs) bands (ev): -22.5040 -22.5040 -17.8663 -17.8663 -5.8610 -5.8610 -4.0011 -4.0011 -3.5782 -3.5782 -3.2111 -3.2111 1.3679 1.3679 1.9620 1.9620 2.2907 2.2907 2.6163 2.6163 2.9284 2.9284 3.0707 3.0707 3.4624 3.4624 4.7274 4.7274 7.7600 7.7600 8.2046 8.2046 12.7999 12.7999 13.4020 13.4020 k = 0.2380-0.2341 0.2268 ( 2059 PWs) bands (ev): -22.5027 -22.5027 -17.8685 -17.8685 -5.8672 -5.8672 -3.9935 -3.9935 -3.5825 -3.5825 -3.2119 -3.2119 1.3802 1.3802 2.0043 2.0043 2.2916 2.2916 2.6075 2.6075 2.9293 2.9293 3.0454 3.0454 3.4568 3.4568 4.7447 4.7447 7.7627 7.7627 8.2068 8.2068 12.7491 12.7491 13.3243 13.3243 k = 0.2462-0.2422 0.2346 ( 2063 PWs) bands (ev): -22.5015 -22.5015 -17.8708 -17.8708 -5.8725 -5.8725 -3.9855 -3.9855 -3.5868 -3.5868 -3.2129 -3.2129 1.3926 1.3926 2.0467 2.0467 2.2922 2.2922 2.5957 2.5957 2.9274 2.9274 3.0199 3.0199 3.4511 3.4511 4.7613 4.7613 7.7730 7.7730 8.2098 8.2098 12.7007 12.7007 13.2460 13.2460 k = 0.2544-0.2503 0.2424 ( 2061 PWs) bands (ev): -22.5003 -22.5003 -17.8731 -17.8731 -5.8767 -5.8767 -3.9770 -3.9770 -3.5909 -3.5909 -3.2141 -3.2141 1.4050 1.4050 2.0890 2.0890 2.2926 2.2926 2.5813 2.5813 2.9234 2.9234 2.9940 2.9940 3.4456 3.4456 4.7769 4.7769 7.7912 7.7912 8.2138 8.2138 12.6546 12.6546 13.1676 13.1676 k = 0.2626-0.2584 0.2503 ( 2061 PWs) bands (ev): -22.4992 -22.4992 -17.8753 -17.8753 -5.8801 -5.8801 -3.9681 -3.9681 -3.5949 -3.5949 -3.2154 -3.2154 1.4174 1.4174 2.1307 2.1307 2.2928 2.2928 2.5643 2.5643 2.9179 2.9179 2.9675 2.9675 3.4401 3.4401 4.7913 4.7913 7.8173 7.8173 8.2185 8.2185 12.6109 12.6109 13.0891 13.0891 k = 0.2708-0.2664 0.2581 ( 2055 PWs) bands (ev): -22.4981 -22.4981 -17.8775 -17.8775 -5.8824 -5.8824 -3.9588 -3.9588 -3.5987 -3.5987 -3.2169 -3.2169 1.4298 1.4298 2.1710 2.1710 2.2931 2.2931 2.5453 2.5453 2.9115 2.9115 2.9404 2.9404 3.4347 3.4347 4.8043 4.8043 7.8510 7.8510 8.2242 8.2242 12.5696 12.5696 13.0107 13.0107 k = 0.2791-0.2745 0.2659 ( 2049 PWs) bands (ev): -22.4970 -22.4970 -17.8797 -17.8797 -5.8838 -5.8838 -3.9492 -3.9492 -3.6024 -3.6024 -3.2185 -3.2185 1.4421 1.4421 2.2087 2.2087 2.2939 2.2939 2.5247 2.5247 2.9025 2.9025 2.9145 2.9146 3.4295 3.4295 4.8158 4.8158 7.8923 7.8923 8.2307 8.2307 12.5307 12.5307 12.9326 12.9326 k = 0.2873-0.2826 0.2737 ( 2051 PWs) bands (ev): -22.4960 -22.4960 -17.8819 -17.8819 -5.8842 -5.8842 -3.9393 -3.9393 -3.6059 -3.6059 -3.2203 -3.2203 1.4543 1.4543 2.2415 2.2415 2.2962 2.2962 2.5034 2.5034 2.8803 2.8803 2.9014 2.9014 3.4244 3.4244 4.8257 4.8257 7.9407 7.9407 8.2380 8.2380 12.4943 12.4943 12.8550 12.8550 k = 0.2955-0.2906 0.2815 ( 2055 PWs) bands (ev): -22.4951 -22.4951 -17.8840 -17.8840 -5.8836 -5.8836 -3.9292 -3.9292 -3.6093 -3.6093 -3.2221 -3.2221 1.4664 1.4664 2.2641 2.2641 2.3030 2.3030 2.4831 2.4832 2.8525 2.8525 2.8946 2.8946 3.4195 3.4195 4.8340 4.8340 7.9957 7.9957 8.2460 8.2460 12.4603 12.4603 12.7781 12.7781 k = 0.3037-0.2987 0.2894 ( 2055 PWs) bands (ev): -22.4941 -22.4941 -17.8861 -17.8861 -5.8822 -5.8822 -3.9189 -3.9189 -3.6125 -3.6125 -3.2241 -3.2241 1.4783 1.4783 2.2734 2.2734 2.3138 2.3138 2.4668 2.4668 2.8254 2.8255 2.8890 2.8890 3.4147 3.4147 4.8408 4.8408 8.0567 8.0567 8.2548 8.2548 12.4289 12.4289 12.7021 12.7021 k = 0.3119-0.3068 0.2972 ( 2065 PWs) bands (ev): -22.4933 -22.4933 -17.8882 -17.8882 -5.8799 -5.8799 -3.9085 -3.9085 -3.6155 -3.6155 -3.2262 -3.2262 1.4901 1.4901 2.2749 2.2749 2.3176 2.3176 2.4580 2.4580 2.8011 2.8011 2.8844 2.8844 3.4101 3.4101 4.8463 4.8463 8.1229 8.1229 8.2644 8.2644 12.3999 12.3999 12.6274 12.6274 k = 0.3201-0.3149 0.3050 ( 2073 PWs) bands (ev): -22.4924 -22.4924 -17.8902 -17.8902 -5.8768 -5.8768 -3.8979 -3.8979 -3.6184 -3.6184 -3.2284 -3.2284 1.5015 1.5015 2.2726 2.2726 2.3088 2.3088 2.4571 2.4571 2.7814 2.7814 2.8813 2.8813 3.4058 3.4058 4.8505 4.8505 8.1932 8.1932 8.2753 8.2753 12.3733 12.3733 12.5542 12.5542 k = 0.3283-0.3229 0.3128 ( 2075 PWs) bands (ev): -22.4917 -22.4917 -17.8921 -17.8921 -5.8729 -5.8729 -3.8873 -3.8873 -3.6211 -3.6211 -3.2306 -3.2306 1.5128 1.5128 2.2637 2.2637 2.2936 2.2936 2.4586 2.4586 2.7682 2.7682 2.8802 2.8802 3.4016 3.4016 4.8536 4.8536 8.2611 8.2611 8.2930 8.2930 12.3487 12.3487 12.4834 12.4834 k = 0.3365-0.3310 0.3206 ( 2074 PWs) bands (ev): -22.4909 -22.4909 -17.8940 -17.8940 -5.8683 -5.8683 -3.8766 -3.8766 -3.6237 -3.6237 -3.2329 -3.2329 1.5237 1.5237 2.2412 2.2412 2.2840 2.2840 2.4566 2.4566 2.7620 2.7620 2.8820 2.8820 3.3977 3.3977 4.8559 4.8559 8.2892 8.2892 8.3542 8.3542 12.3248 12.3248 12.4165 12.4165 k = 0.3447-0.3391 0.3285 ( 2078 PWs) bands (ev): -22.4902 -22.4902 -17.8958 -17.8958 -5.8631 -5.8631 -3.8660 -3.8660 -3.6260 -3.6260 -3.2352 -3.2352 1.5343 1.5343 2.2083 2.2083 2.2796 2.2796 2.4485 2.4485 2.7615 2.7615 2.8878 2.8878 3.3940 3.3940 4.8574 4.8574 8.3018 8.3018 8.4337 8.4337 12.2959 12.2959 12.3593 12.3593 k = 0.3529-0.3472 0.3363 ( 2076 PWs) bands (ev): -22.4896 -22.4896 -17.8975 -17.8975 -5.8574 -5.8574 -3.8554 -3.8554 -3.6282 -3.6282 -3.2376 -3.2376 1.5445 1.5445 2.1707 2.1707 2.2767 2.2767 2.4351 2.4351 2.7639 2.7639 2.8989 2.8989 3.3907 3.3907 4.8584 4.8584 8.3132 8.3132 8.5164 8.5164 12.2505 12.2505 12.3240 12.3240 k = 0.3611-0.3552 0.3441 ( 2082 PWs) bands (ev): -22.4890 -22.4890 -17.8992 -17.8992 -5.8512 -5.8512 -3.8450 -3.8450 -3.6303 -3.6303 -3.2399 -3.2399 1.5544 1.5544 2.1302 2.1302 2.2740 2.2740 2.4178 2.4178 2.7664 2.7664 2.9155 2.9155 3.3876 3.3876 4.8587 4.8587 8.3244 8.3244 8.6005 8.6005 12.1927 12.1927 12.3066 12.3066 k = 0.3693-0.3633 0.3519 ( 2078 PWs) bands (ev): -22.4885 -22.4885 -17.9008 -17.9008 -5.8447 -5.8447 -3.8348 -3.8348 -3.6322 -3.6322 -3.2422 -3.2422 1.5638 1.5638 2.0880 2.0880 2.2714 2.2714 2.3986 2.3986 2.7676 2.7676 2.9372 2.9372 3.3849 3.3849 4.8588 4.8588 8.3354 8.3354 8.6851 8.6851 12.1327 12.1327 12.2973 12.2973 k = 0.3775-0.3714 0.3597 ( 2074 PWs) bands (ev): -22.4880 -22.4880 -17.9023 -17.9023 -5.8379 -5.8379 -3.8248 -3.8248 -3.6339 -3.6339 -3.2444 -3.2444 1.5728 1.5728 2.0449 2.0449 2.2685 2.2685 2.3790 2.3790 2.7672 2.7672 2.9625 2.9625 3.3826 3.3826 4.8586 4.8586 8.3463 8.3463 8.7693 8.7693 12.0737 12.0737 12.2934 12.2934 k = 0.3858-0.3795 0.3676 ( 2070 PWs) bands (ev): -22.4875 -22.4875 -17.9037 -17.9037 -5.8309 -5.8309 -3.8151 -3.8151 -3.6355 -3.6355 -3.2466 -3.2466 1.5814 1.5814 2.0016 2.0016 2.2652 2.2652 2.3599 2.3599 2.7654 2.7654 2.9900 2.9900 3.3807 3.3807 4.8581 4.8581 8.3569 8.3569 8.8524 8.8524 12.0168 12.0168 12.2940 12.2940 k = 0.3940-0.3875 0.3754 ( 2070 PWs) bands (ev): -22.4871 -22.4871 -17.9051 -17.9051 -5.8239 -5.8239 -3.8058 -3.8058 -3.6369 -3.6369 -3.2488 -3.2488 1.5894 1.5894 1.9586 1.9586 2.2614 2.2614 2.3421 2.3421 2.7627 2.7627 3.0181 3.0181 3.3792 3.3792 4.8576 4.8576 8.3672 8.3672 8.9336 8.9336 11.9626 11.9626 12.2990 12.2990 k = 0.4022-0.3956 0.3832 ( 2072 PWs) bands (ev): -22.4867 -22.4867 -17.9063 -17.9063 -5.8169 -5.8169 -3.7969 -3.7969 -3.6382 -3.6382 -3.2508 -3.2508 1.5969 1.5969 1.9165 1.9165 2.2566 2.2566 2.3263 2.3264 2.7593 2.7593 3.0461 3.0461 3.3783 3.3783 4.8569 4.8569 8.3772 8.3772 9.0123 9.0123 11.9113 11.9113 12.3085 12.3085 k = 0.4104-0.4037 0.3910 ( 2076 PWs) bands (ev): -22.4863 -22.4863 -17.9075 -17.9075 -5.8100 -5.8100 -3.7884 -3.7884 -3.6394 -3.6394 -3.2528 -3.2528 1.6039 1.6039 1.8759 1.8759 2.2506 2.2506 2.3131 2.3131 2.7557 2.7557 3.0730 3.0730 3.3779 3.3779 4.8562 4.8562 8.3866 8.3866 9.0878 9.0878 11.8632 11.8632 12.3226 12.3226 k = 0.4186-0.4117 0.3989 ( 2068 PWs) bands (ev): -22.4860 -22.4860 -17.9086 -17.9086 -5.8034 -5.8034 -3.7804 -3.7804 -3.6405 -3.6405 -3.2546 -3.2546 1.6103 1.6103 1.8374 1.8374 2.2433 2.2433 2.3026 2.3026 2.7521 2.7521 3.0985 3.0985 3.3782 3.3782 4.8555 4.8555 8.3955 8.3955 9.1593 9.1593 11.8186 11.8186 12.3414 12.3414 k = 0.4268-0.4198 0.4067 ( 2072 PWs) bands (ev): -22.4858 -22.4858 -17.9095 -17.9095 -5.7970 -5.7970 -3.7730 -3.7730 -3.6414 -3.6414 -3.2563 -3.2563 1.6160 1.6160 1.8012 1.8012 2.2349 2.2349 2.2948 2.2948 2.7484 2.7484 3.1218 3.1218 3.3791 3.3791 4.8549 4.8549 8.4038 8.4038 9.2261 9.2261 11.7777 11.7777 12.3650 12.3650 k = 0.4268-0.4198 0.4067 ( 2072 PWs) bands (ev): -22.4858 -22.4858 -17.9095 -17.9095 -5.7970 -5.7970 -3.7730 -3.7730 -3.6414 -3.6414 -3.2563 -3.2563 1.6160 1.6160 1.8012 1.8012 2.2349 2.2349 2.2948 2.2948 2.7484 2.7484 3.1218 3.1218 3.3791 3.3791 4.8549 4.8549 8.4038 8.4038 9.2261 9.2261 11.7777 11.7777 12.3650 12.3650 k = 0.4289-0.4072 0.4017 ( 2068 PWs) bands (ev): -22.4859 -22.4859 -17.9089 -17.9089 -5.8010 -5.8006 -3.7779 -3.7775 -3.6408 -3.6408 -3.2555 -3.2553 1.6128 1.6130 1.8191 1.8281 2.2323 2.2472 2.2842 2.3142 2.7488 2.7525 3.1036 3.1109 3.3770 3.3785 4.8560 4.8564 8.3988 8.3995 9.1843 9.1850 11.7975 11.7978 12.3561 12.3563 k = 0.4311-0.3946 0.3968 ( 2070 PWs) bands (ev): -22.4862 -22.4862 -17.9082 -17.9081 -5.8046 -5.8038 -3.7833 -3.7824 -3.6401 -3.6400 -3.2550 -3.2547 1.6104 1.6108 1.8374 1.8555 2.2283 2.2591 2.2733 2.3337 2.7490 2.7564 3.0848 3.0990 3.3736 3.3767 4.8588 4.8597 8.3944 8.3958 9.1413 9.1427 11.8060 11.8073 12.3633 12.3647 k = 0.4332-0.3821 0.3918 ( 2070 PWs) bands (ev): -22.4865 -22.4865 -17.9073 -17.9073 -5.8079 -5.8067 -3.7890 -3.7878 -3.6393 -3.6391 -3.2547 -3.2543 1.6087 1.6092 1.8559 1.8831 2.2235 2.2621 2.2709 2.3530 2.7489 2.7604 3.0659 3.0862 3.3688 3.3736 4.8630 4.8647 8.3908 8.3928 9.0974 9.0995 11.8027 11.8055 12.3874 12.3907 k = 0.4354-0.3695 0.3869 ( 2067 PWs) bands (ev): -22.4868 -22.4868 -17.9064 -17.9064 -5.8109 -5.8093 -3.7952 -3.7936 -3.6383 -3.6382 -3.2546 -3.2542 1.6079 1.6084 1.8743 1.9103 2.2185 2.2513 2.2825 2.3715 2.7487 2.7645 3.0470 3.0728 3.3627 3.3693 4.8686 4.8711 8.3879 8.3905 9.0528 9.0557 11.7892 11.7939 12.4269 12.4325 k = 0.4376-0.3569 0.3819 ( 2069 PWs) bands (ev): -22.4872 -22.4872 -17.9054 -17.9054 -5.8135 -5.8116 -3.8019 -3.7999 -3.6373 -3.6371 -3.2546 -3.2541 1.6078 1.6084 1.8921 1.9364 2.2133 2.2410 2.2941 2.3893 2.7481 2.7687 3.0285 3.0589 3.3553 3.3638 4.8751 4.8786 8.3857 8.3889 9.0079 9.0115 11.7681 11.7746 12.4794 12.4875 k = 0.4397-0.3443 0.3769 ( 2067 PWs) bands (ev): -22.4876 -22.4876 -17.9043 -17.9043 -5.8157 -5.8134 -3.8091 -3.8067 -3.6362 -3.6359 -3.2548 -3.2542 1.6085 1.6092 1.9090 1.9606 2.2083 2.2319 2.3062 2.4063 2.7472 2.7731 3.0106 3.0449 3.3465 3.3569 4.8825 4.8872 8.3842 8.3879 8.9628 8.9671 11.7422 11.7504 12.5423 12.5528 k = 0.4419-0.3317 0.3720 ( 2064 PWs) bands (ev): -22.4881 -22.4880 -17.9031 -17.9031 -5.8175 -5.8150 -3.8168 -3.8140 -3.6350 -3.6347 -3.2549 -3.2543 1.6100 1.6108 1.9245 1.9815 2.2038 2.2249 2.3190 2.4224 2.7460 2.7778 2.9937 3.0309 3.3365 3.3489 4.8904 4.8963 8.3834 8.3876 8.9180 8.9229 11.7134 11.7230 12.6135 12.6263 k = 0.4440-0.3191 0.3670 ( 2060 PWs) bands (ev): -22.4886 -22.4885 -17.9019 -17.9019 -5.8189 -5.8161 -3.8251 -3.8220 -3.6337 -3.6334 -3.2551 -3.2544 1.6122 1.6131 1.9378 1.9976 2.2004 2.2208 2.3330 2.4376 2.7445 2.7831 2.9780 3.0173 3.3254 3.3397 4.8985 4.9058 8.3833 8.3879 8.8735 8.8791 11.6833 11.6941 12.6914 12.7065 k = 0.4462-0.3065 0.3621 ( 2056 PWs) bands (ev): -22.4891 -22.4890 -17.9006 -17.9006 -5.8200 -5.8169 -3.8339 -3.8304 -3.6324 -3.6320 -3.2551 -3.2545 1.6152 1.6162 1.9484 2.0077 2.1982 2.2206 2.3488 2.4516 2.7426 2.7891 2.9636 3.0042 3.3132 3.3294 4.9066 4.9153 8.3838 8.3888 8.8298 8.8359 11.6527 11.6645 12.7749 12.7922 k = 0.4483-0.2939 0.3571 ( 2052 PWs) bands (ev): -22.4897 -22.4896 -17.8993 -17.8992 -5.8206 -5.8173 -3.8433 -3.8395 -3.6310 -3.6306 -3.2550 -3.2544 1.6190 1.6201 1.9557 2.0111 2.1978 2.2241 2.3668 2.4644 2.7406 2.7963 2.9508 2.9919 3.3000 3.3181 4.9144 4.9245 8.3848 8.3902 8.7869 8.7935 11.6224 11.6350 12.8632 12.8826 k = 0.4505-0.2813 0.3522 ( 2052 PWs) bands (ev): -22.4902 -22.4902 -17.8979 -17.8979 -5.8209 -5.8173 -3.8531 -3.8491 -3.6295 -3.6291 -3.2548 -3.2542 1.6235 1.6247 1.9594 2.0081 2.1993 2.2305 2.3874 2.4759 2.7382 2.8046 2.9395 2.9804 3.2859 3.3059 4.9216 4.9332 8.3864 8.3920 8.7452 8.7522 11.5927 11.6060 12.9555 12.9771 k = 0.4526-0.2687 0.3472 ( 2056 PWs) bands (ev): -22.4908 -22.4908 -17.8965 -17.8965 -5.8208 -5.8170 -3.8635 -3.8592 -3.6281 -3.6277 -3.2543 -3.2537 1.6287 1.6300 1.9592 1.9999 2.2027 2.2382 2.4108 2.4858 2.7357 2.8146 2.9300 2.9701 3.2711 3.2929 4.9279 4.9410 8.3885 8.3943 8.7048 8.7122 11.5640 11.5778 13.0515 13.0751 k = 0.4548-0.2562 0.3423 ( 2054 PWs) bands (ev): -22.4915 -22.4914 -17.8951 -17.8951 -5.8203 -5.8164 -3.8744 -3.8699 -3.6266 -3.6261 -3.2537 -3.2531 1.6345 1.6361 1.9555 1.9879 2.2080 2.2461 2.4366 2.4941 2.7335 2.8261 2.9225 2.9610 3.2557 3.2793 4.9332 4.9478 8.3910 8.3970 8.6659 8.6736 11.5364 11.5507 13.1508 13.1765 k = 0.4569-0.2436 0.3373 ( 2058 PWs) bands (ev): -22.4921 -22.4920 -17.8937 -17.8936 -5.8194 -5.8154 -3.8857 -3.8810 -3.6251 -3.6246 -3.2528 -3.2522 1.6410 1.6428 1.9485 1.9732 2.2145 2.2533 2.4639 2.5007 2.7316 2.8390 2.9173 2.9533 3.2399 3.2652 4.9373 4.9533 8.3938 8.4000 8.6288 8.6367 11.5101 11.5247 13.2530 13.2806 k = 0.4591-0.2310 0.3324 ( 2059 PWs) bands (ev): -22.4927 -22.4926 -17.8922 -17.8922 -5.8182 -5.8141 -3.8973 -3.8925 -3.6236 -3.6231 -3.2516 -3.2511 1.6480 1.6501 1.9388 1.9567 2.2218 2.2595 2.4918 2.5057 2.7309 2.8523 2.9152 2.9472 3.2238 3.2507 4.9399 4.9572 8.3970 8.4032 8.5936 8.6017 11.4852 11.4999 13.3577 13.3873 k = 0.4612-0.2184 0.3274 ( 2059 PWs) bands (ev): -22.4933 -22.4932 -17.8908 -17.8908 -5.8167 -5.8126 -3.9093 -3.9043 -3.6220 -3.6216 -3.2503 -3.2498 1.6556 1.6580 1.9271 1.9391 2.2294 2.2645 2.5093 2.5186 2.7319 2.8639 2.9182 2.9428 3.2077 3.2361 4.9409 4.9596 8.4003 8.4065 8.5605 8.5686 11.4616 11.4763 13.4647 13.4963 k = 0.4634-0.2058 0.3224 ( 2059 PWs) bands (ev): -22.4939 -22.4938 -17.8894 -17.8894 -5.8150 -5.8108 -3.9214 -3.9164 -3.6205 -3.6201 -3.2487 -3.2482 1.6637 1.6665 1.9137 1.9208 2.2368 2.2684 2.5115 2.5427 2.7357 2.8711 2.9284 2.9403 3.1919 3.2216 4.9403 4.9601 8.4038 8.4099 8.5296 8.5376 11.4395 11.4541 13.5736 13.6071 k = 0.4655-0.1932 0.3175 ( 2058 PWs) bands (ev): -22.4945 -22.4944 -17.8881 -17.8880 -5.8129 -5.8087 -3.9336 -3.9286 -3.6191 -3.6186 -3.2469 -3.2464 1.6722 1.6753 1.8993 1.9022 2.2439 2.2713 2.5127 2.5622 2.7432 2.8739 2.9400 2.9455 3.1766 3.2073 4.9379 4.9588 8.4071 8.4131 8.5011 8.5090 11.4188 11.4332 13.6842 13.7195 k = 0.4677-0.1806 0.3125 ( 2060 PWs) bands (ev): -22.4951 -22.4950 -17.8867 -17.8867 -5.8107 -5.8065 -3.9459 -3.9409 -3.6177 -3.6172 -3.2449 -3.2445 1.6810 1.6846 1.8837 1.8841 2.2503 2.2733 2.5130 2.5760 2.7547 2.8742 2.9423 2.9665 3.1623 3.1936 4.9338 4.9556 8.4101 8.4156 8.4756 8.4830 11.3995 11.4136 13.7959 13.8330 k = 0.4699-0.1680 0.3076 ( 2060 PWs) bands (ev): -22.4957 -22.4956 -17.8854 -17.8854 -5.8083 -5.8042 -3.9581 -3.9532 -3.6163 -3.6158 -3.2429 -3.2424 1.6900 1.6942 1.8655 1.8687 2.2560 2.2746 2.5127 2.5841 2.7690 2.8734 2.9475 2.9891 3.1496 3.1809 4.9281 4.9506 8.4118 8.4161 8.4543 8.4605 11.3816 11.3953 13.9085 13.9472 k = 0.4720-0.1554 0.3026 ( 2058 PWs) bands (ev): -22.4963 -22.4962 -17.8842 -17.8841 -5.8057 -5.8017 -3.9700 -3.9652 -3.6149 -3.6145 -3.2407 -3.2403 1.6991 1.7039 1.8477 1.8533 2.2608 2.2751 2.5121 2.5874 2.7843 2.8721 2.9561 3.0111 3.1399 3.1695 4.9208 4.9438 8.4099 8.4105 8.4414 8.4438 11.3651 11.3783 14.0214 14.0616 k = 0.4742-0.1428 0.2977 ( 2060 PWs) bands (ev): -22.4968 -22.4967 -17.8830 -17.8829 -5.8031 -5.7992 -3.9816 -3.9770 -3.6136 -3.6133 -3.2384 -3.2381 1.7081 1.7138 1.8307 1.8383 2.2646 2.2751 2.5113 2.5872 2.7986 2.8707 2.9678 3.0295 3.1352 3.1602 4.9121 4.9355 8.3970 8.4005 8.4366 8.4384 11.3499 11.3625 14.1339 14.1754 k = 0.4763-0.1303 0.2927 ( 2057 PWs) bands (ev): -22.4973 -22.4972 -17.8819 -17.8818 -5.8004 -5.7967 -3.9928 -3.9884 -3.6124 -3.6121 -3.2362 -3.2358 1.7169 1.7236 1.8146 1.8240 2.2676 2.2745 2.5105 2.5846 2.8105 2.8691 2.9817 3.0409 3.1386 3.1538 4.9024 4.9257 8.3812 8.3862 8.4364 8.4397 11.3361 11.3480 14.2455 14.2880 k = 0.4785-0.1177 0.2878 ( 2055 PWs) bands (ev): -22.4978 -22.4977 -17.8808 -17.8808 -5.7977 -5.7942 -4.0035 -3.9993 -3.6113 -3.6110 -3.2339 -3.2336 1.7251 1.7332 1.7995 1.8108 2.2696 2.2736 2.5099 2.5805 2.8197 2.8675 2.9958 3.0440 3.1510 3.1515 4.8917 4.9147 8.3662 8.3715 8.4385 8.4422 11.3237 11.3348 14.3554 14.3985 k = 0.4806-0.1051 0.2828 ( 2055 PWs) bands (ev): -22.4982 -22.4981 -17.8798 -17.8798 -5.7950 -5.7918 -4.0135 -4.0096 -3.6103 -3.6099 -3.2318 -3.2315 1.7323 1.7423 1.7857 1.7991 2.2709 2.2724 2.5094 2.5754 2.8266 2.8657 3.0076 3.0412 3.1547 3.1693 4.8805 4.9028 8.3527 8.3578 8.4412 8.4449 11.3125 11.3228 14.4625 14.5057 k = 0.4828-0.0925 0.2779 ( 2055 PWs) bands (ev): -22.4986 -22.4985 -17.8789 -17.8789 -5.7925 -5.7896 -4.0227 -4.0192 -3.6093 -3.6090 -3.2297 -3.2294 1.7377 1.7504 1.7738 1.7899 2.2710 2.2714 2.5093 2.5698 2.8315 2.8639 3.0155 3.0358 3.1640 3.1899 4.8691 4.8904 8.3409 8.3456 8.4441 8.4475 11.3027 11.3120 14.5657 14.6084 k = 0.4849-0.0799 0.2729 ( 2054 PWs) bands (ev): -22.4990 -22.4989 -17.8781 -17.8781 -5.7901 -5.7875 -4.0311 -4.0279 -3.6084 -3.6082 -3.2278 -3.2275 1.7400 1.7537 1.7674 1.7843 2.2696 2.2713 2.5097 2.5638 2.8352 2.8620 3.0190 3.0297 3.1785 3.2106 4.8579 4.8778 8.3308 8.3350 8.4469 8.4500 11.2941 11.3024 14.6638 14.7052 k = 0.4871-0.0673 0.2679 ( 2047 PWs) bands (ev): -22.4993 -22.4992 -17.8774 -17.8774 -5.7879 -5.7856 -4.0385 -4.0357 -3.6077 -3.6074 -3.2260 -3.2258 1.7389 1.7476 1.7712 1.7828 2.2681 2.2708 2.5105 2.5578 2.8379 2.8600 3.0194 3.0239 3.1961 3.2299 4.8474 4.8654 8.3223 8.3260 8.4495 8.4522 11.2868 11.2940 14.7552 14.7943 k = 0.4892-0.0547 0.2630 ( 2045 PWs) bands (ev): -22.4995 -22.4995 -17.8768 -17.8768 -5.7859 -5.7839 -4.0449 -4.0425 -3.6070 -3.6068 -3.2245 -3.2243 1.7351 1.7397 1.7773 1.7844 2.2668 2.2698 2.5117 2.5518 2.8401 2.8580 3.0178 3.0188 3.2148 3.2468 4.8379 4.8537 8.3153 8.3185 8.4518 8.4541 11.2807 11.2868 14.8381 14.8737 k = 0.4914-0.0421 0.2580 ( 2046 PWs) bands (ev): -22.4998 -22.4997 -17.8763 -17.8763 -5.7842 -5.7826 -4.0502 -4.0483 -3.6065 -3.6063 -3.2232 -3.2230 1.7305 1.7328 1.7829 1.7874 2.2657 2.2686 2.5135 2.5460 2.8419 2.8559 3.0146 3.0154 3.2329 3.2607 4.8299 4.8431 8.3098 8.3123 8.4538 8.4557 11.2759 11.2808 14.9108 14.9416 k = 0.4935-0.0295 0.2531 ( 2045 PWs) bands (ev): -22.4999 -22.4999 -17.8760 -17.8760 -5.7828 -5.7816 -4.0543 -4.0528 -3.6060 -3.6059 -3.2221 -3.2220 1.7262 1.7273 1.7876 1.7904 2.2648 2.2674 2.5159 2.5404 2.8436 2.8539 3.0114 3.0128 3.2490 3.2710 4.8237 4.8339 8.3056 8.3076 8.4555 8.4569 11.2723 11.2760 14.9712 14.9958 k = 0.4957-0.0169 0.2481 ( 2049 PWs) bands (ev): -22.5001 -22.5000 -17.8757 -17.8757 -5.7817 -5.7809 -4.0572 -4.0562 -3.6057 -3.6056 -3.2214 -3.2213 1.7228 1.7233 1.7912 1.7928 2.2643 2.2661 2.5187 2.5352 2.8451 2.8520 3.0092 3.0105 3.2622 3.2775 4.8195 4.8265 8.3028 8.3041 8.4567 8.4577 11.2699 11.2724 15.0174 15.0347 k = 0.4978-0.0044 0.2432 ( 2051 PWs) bands (ev): -22.5001 -22.5001 -17.8755 -17.8755 -5.7809 -5.7805 -4.0588 -4.0584 -3.6055 -3.6055 -3.2209 -3.2208 1.7207 1.7209 1.7935 1.7942 2.2642 2.2651 2.5221 2.5304 2.8467 2.8501 3.0081 3.0089 3.2720 3.2798 4.8177 4.8212 8.3013 8.3020 8.4576 8.4581 11.2688 11.2700 15.0478 15.0567 k = 0.5000 0.0082 0.2382 ( 2050 PWs) bands (ev): -22.5002 -22.5002 -17.8755 -17.8755 -5.7806 -5.7806 -4.0592 -4.0592 -3.6054 -3.6054 -3.2207 -3.2207 1.7201 1.7201 1.7945 1.7945 2.2645 2.2645 2.5260 2.5260 2.8483 2.8483 3.0080 3.0080 3.2780 3.2780 4.8182 4.8182 8.3010 8.3010 8.4580 8.4580 11.2688 11.2688 15.0611 15.0611 k = 0.5000 0.0082 0.2382 ( 2050 PWs) bands (ev): -22.5002 -22.5002 -17.8755 -17.8755 -5.7806 -5.7806 -4.0592 -4.0592 -3.6054 -3.6054 -3.2207 -3.2207 1.7201 1.7201 1.7945 1.7945 2.2645 2.2645 2.5260 2.5260 2.8483 2.8483 3.0080 3.0080 3.2780 3.2780 4.8182 4.8182 8.3010 8.3010 8.4580 8.4580 11.2688 11.2688 15.0611 15.0611 k = 0.4944 0.0137 0.2497 ( 2048 PWs) bands (ev): -22.5001 -22.5001 -17.8754 -17.8754 -5.7805 -5.7804 -4.0592 -4.0591 -3.6061 -3.6060 -3.2207 -3.2205 1.7186 1.7194 1.7921 1.7962 2.2643 2.2669 2.5216 2.5303 2.8461 2.8509 3.0067 3.0096 3.2770 3.2792 4.8179 4.8195 8.2952 8.3042 8.4556 8.4625 11.2698 11.2715 15.0613 15.0636 k = 0.4889 0.0192 0.2612 ( 2052 PWs) bands (ev): -22.5000 -22.5000 -17.8753 -17.8753 -5.7803 -5.7801 -4.0590 -4.0588 -3.6082 -3.6080 -3.2204 -3.2201 1.7149 1.7165 1.7894 1.7976 2.2664 2.2716 2.5170 2.5346 2.8443 2.8539 3.0054 3.0114 3.2759 3.2802 4.8186 4.8218 8.2871 8.3045 8.4557 8.4688 11.2744 11.2778 15.0642 15.0688 k = 0.4833 0.0246 0.2726 ( 2052 PWs) bands (ev): -22.4998 -22.4998 -17.8752 -17.8752 -5.7798 -5.7797 -4.0585 -4.0583 -3.6115 -3.6112 -3.2199 -3.2194 1.7087 1.7110 1.7869 1.7991 2.2706 2.2783 2.5124 2.5387 2.8429 2.8574 3.0044 3.0133 3.2748 3.2813 4.8203 4.8251 8.2770 8.3016 8.4584 8.4766 11.2827 11.2877 15.0697 15.0767 k = 0.4778 0.0301 0.2841 ( 2046 PWs) bands (ev): -22.4995 -22.4995 -17.8750 -17.8749 -5.7793 -5.7790 -4.0579 -4.0576 -3.6161 -3.6157 -3.2192 -3.2185 1.6995 1.7023 1.7853 1.8013 2.2767 2.2868 2.5077 2.5429 2.8419 2.8614 3.0037 3.0155 3.2738 3.2823 4.8229 4.8293 8.2652 8.2955 8.4640 8.4858 11.2946 11.3013 15.0777 15.0874 k = 0.4722 0.0356 0.2956 ( 2046 PWs) bands (ev): -22.4992 -22.4992 -17.8747 -17.8746 -5.7785 -5.7782 -4.0572 -4.0568 -3.6219 -3.6214 -3.2183 -3.2174 1.6872 1.6902 1.7851 1.8046 2.2845 2.2967 2.5028 2.5470 2.8412 2.8659 3.0032 3.0177 3.2729 3.2832 4.8264 4.8344 8.2516 8.2863 8.4722 8.4962 11.3100 11.3184 15.0880 15.1007 k = 0.4667 0.0410 0.3070 ( 2046 PWs) bands (ev): -22.4988 -22.4988 -17.8743 -17.8743 -5.7776 -5.7772 -4.0563 -4.0558 -3.6289 -3.6283 -3.2172 -3.2161 1.6719 1.6749 1.7864 1.8092 2.2936 2.3079 2.4978 2.5510 2.8408 2.8708 3.0030 3.0202 3.2721 3.2841 4.8309 4.8404 8.2365 8.2743 8.4830 8.5080 11.3289 11.3390 15.1003 15.1168 k = 0.4611 0.0465 0.3185 ( 2042 PWs) bands (ev): -22.4983 -22.4983 -17.8739 -17.8739 -5.7765 -5.7761 -4.0552 -4.0546 -3.6371 -3.6364 -3.2159 -3.2146 1.6538 1.6568 1.7892 1.8151 2.3038 2.3200 2.4927 2.5550 2.8408 2.8763 3.0031 3.0230 3.2713 3.2849 4.8363 4.8472 8.2198 8.2599 8.4959 8.5211 11.3512 11.3631 15.1145 15.1354 k = 0.4556 0.0519 0.3300 ( 2042 PWs) bands (ev): -22.4978 -22.4977 -17.8735 -17.8734 -5.7753 -5.7748 -4.0540 -4.0534 -3.6463 -3.6455 -3.2143 -3.2129 1.6333 1.6362 1.7934 1.8222 2.3148 2.3328 2.4875 2.5590 2.8411 2.8822 3.0035 3.0259 3.2706 3.2855 4.8425 4.8549 8.2016 8.2433 8.5110 8.5356 11.3768 11.3904 15.1300 15.1565 k = 0.4500 0.0574 0.3415 ( 2042 PWs) bands (ev): -22.4971 -22.4971 -17.8730 -17.8729 -5.7739 -5.7734 -4.0527 -4.0520 -3.6565 -3.6555 -3.2127 -3.2111 1.6107 1.6136 1.7988 1.8305 2.3264 2.3460 2.4821 2.5628 2.8417 2.8885 3.0043 3.0292 3.2699 3.2860 4.8495 4.8633 8.1819 8.2248 8.5279 8.5516 11.4056 11.4210 15.1460 15.1801 k = 0.4444 0.0629 0.3529 ( 2044 PWs) bands (ev): -22.4965 -22.4965 -17.8724 -17.8723 -5.7723 -5.7718 -4.0513 -4.0506 -3.6676 -3.6665 -3.2108 -3.2091 1.5865 1.5893 1.8051 1.8398 2.3384 2.3593 2.4767 2.5667 2.8427 2.8953 3.0054 3.0327 3.2694 3.2864 4.8573 4.8723 8.1607 8.2044 8.5467 8.5691 11.4375 11.4548 15.1613 15.2060 k = 0.4389 0.0683 0.3644 ( 2046 PWs) bands (ev): -22.4957 -22.4957 -17.8718 -17.8717 -5.7707 -5.7701 -4.0499 -4.0491 -3.6795 -3.6784 -3.2088 -3.2070 1.5608 1.5636 1.8122 1.8500 2.3506 2.3728 2.4712 2.5704 2.8441 2.9024 3.0070 3.0366 3.2688 3.2865 4.8658 4.8821 8.1383 8.1825 8.5672 8.5882 11.4724 11.4915 15.1735 15.2340 k = 0.4333 0.0738 0.3759 ( 2046 PWs) bands (ev): -22.4949 -22.4949 -17.8711 -17.8711 -5.7689 -5.7682 -4.0484 -4.0476 -3.6922 -3.6909 -3.2067 -3.2047 1.5339 1.5366 1.8201 1.8610 2.3628 2.3861 2.4657 2.5741 2.8459 2.9099 3.0091 3.0409 3.2684 3.2866 4.8749 4.8924 8.1145 8.1592 8.5894 8.6091 11.5100 11.5312 15.1781 15.2640 k = 0.4278 0.0793 0.3874 ( 2046 PWs) bands (ev): -22.4941 -22.4941 -17.8704 -17.8704 -5.7669 -5.7663 -4.0469 -4.0460 -3.7055 -3.7041 -3.2045 -3.2023 1.5061 1.5088 1.8287 1.8727 2.3750 2.3991 2.4604 2.5776 2.8481 2.9176 3.0118 3.0455 3.2680 3.2865 4.8846 4.9032 8.0896 8.1346 8.6133 8.6317 11.5503 11.5735 15.1657 15.2954 k = 0.4222 0.0847 0.3988 ( 2046 PWs) bands (ev): -22.4932 -22.4932 -17.8697 -17.8696 -5.7649 -5.7642 -4.0455 -4.0446 -3.7193 -3.7177 -3.2021 -3.1998 1.4775 1.4802 1.8378 1.8849 2.3870 2.4116 2.4553 2.5810 2.8508 2.9254 3.0151 3.0507 3.2677 3.2862 4.8949 4.9144 8.0637 8.1089 8.6388 8.6561 11.5930 11.6184 15.1209 15.3077 k = 0.4167 0.0902 0.4103 ( 2044 PWs) bands (ev): -22.4923 -22.4922 -17.8689 -17.8688 -5.7628 -5.7621 -4.0442 -4.0432 -3.7335 -3.7318 -3.1996 -3.1972 1.4484 1.4509 1.8474 1.8977 2.3987 2.4231 2.4511 2.5843 2.8540 2.9332 3.0191 3.0564 3.2675 3.2857 4.9056 4.9261 8.0368 8.0822 8.6659 8.6824 11.6380 11.6658 15.0329 15.1539 k = 0.4111 0.0957 0.4218 ( 2044 PWs) bands (ev): -22.4913 -22.4913 -17.8681 -17.8680 -5.7606 -5.7598 -4.0430 -4.0421 -3.7479 -3.7461 -3.1970 -3.1945 1.4187 1.4213 1.8574 1.9108 2.4096 2.4320 2.4495 2.5875 2.8576 2.9408 3.0240 3.0626 3.2673 3.2851 4.9167 4.9381 8.0090 8.0547 8.6947 8.7106 11.6849 11.7153 14.9097 14.9896 k = 0.4056 0.1011 0.4332 ( 2046 PWs) bands (ev): -22.4903 -22.4903 -17.8672 -17.8672 -5.7583 -5.7575 -4.0421 -4.0411 -3.7625 -3.7605 -3.1944 -3.1917 1.3889 1.3913 1.8676 1.9243 2.4185 2.4358 2.4545 2.5903 2.8617 2.9481 3.0298 3.0694 3.2671 3.2843 4.9282 4.9503 7.9806 8.0265 8.7250 8.7409 11.7335 11.7668 14.7670 14.8258 k = 0.4000 0.1066 0.4447 ( 2046 PWs) bands (ev): -22.4892 -22.4892 -17.8664 -17.8663 -5.7559 -5.7552 -4.0415 -4.0404 -3.7771 -3.7750 -3.1916 -3.1888 1.3588 1.3612 1.8781 1.9378 2.4218 2.4403 2.4636 2.5930 2.8663 2.9548 3.0367 3.0768 3.2669 3.2833 4.9400 4.9627 7.9517 7.9977 8.7570 8.7731 11.7835 11.8199 14.6152 14.6629 k = 0.3944 0.1121 0.4562 ( 2044 PWs) bands (ev): -22.4882 -22.4882 -17.8655 -17.8654 -5.7535 -5.7527 -4.0413 -4.0402 -3.7915 -3.7892 -3.1888 -3.1859 1.3288 1.3311 1.8886 1.9515 2.4197 2.4487 2.4735 2.5955 2.8714 2.9610 3.0447 3.0848 3.2668 3.2822 4.9520 4.9752 7.9223 7.9684 8.7907 8.8074 11.8345 11.8745 14.4599 14.5012 k = 0.3889 0.1175 0.4677 ( 2046 PWs) bands (ev): -22.4871 -22.4871 -17.8646 -17.8645 -5.7511 -5.7503 -4.0415 -4.0404 -3.8056 -3.8030 -3.1859 -3.1829 1.2988 1.3011 1.8993 1.9651 2.4159 2.4583 2.4833 2.5978 2.8768 2.9665 3.0537 3.0933 3.2667 3.2810 4.9641 4.9879 7.8927 7.9389 8.8260 8.8438 11.8860 11.9302 14.3040 14.3410 k = 0.3833 0.1230 0.4791 ( 2044 PWs) bands (ev): -22.4860 -22.4860 -17.8637 -17.8636 -5.7486 -5.7478 -4.0424 -4.0412 -3.8191 -3.8164 -3.1830 -3.1799 1.2691 1.2713 1.9099 1.9786 2.4118 2.4680 2.4928 2.5999 2.8827 2.9715 3.0637 3.1025 3.2666 3.2797 4.9764 5.0005 7.8629 7.9093 8.8632 8.8822 11.9374 11.9865 14.1493 14.1831 k = 0.3778 0.1285 0.4906 ( 2048 PWs) bands (ev): -22.4849 -22.4849 -17.8628 -17.8627 -5.7461 -5.7453 -4.0440 -4.0427 -3.8318 -3.8290 -3.1801 -3.1769 1.2397 1.2418 1.9204 1.9917 2.4078 2.4773 2.5018 2.6019 2.8888 2.9759 3.0744 3.1122 3.2665 3.2783 4.9887 5.0130 7.8330 7.8795 8.9022 8.9227 11.9880 12.0428 13.9969 14.0282 k = 0.3722 0.1339 0.5021 ( 2050 PWs) bands (ev): -22.4838 -22.4838 -17.8618 -17.8617 -5.7436 -5.7428 -4.0465 -4.0451 -3.8437 -3.8407 -3.1771 -3.1739 1.2107 1.2127 1.9308 2.0045 2.4041 2.4863 2.5104 2.6037 2.8951 2.9798 3.0858 3.1224 3.2663 3.2770 5.0010 5.0255 7.8034 7.8500 8.9431 8.9652 12.0368 12.0984 13.8478 13.8774 k = 0.3667 0.1394 0.5135 ( 2054 PWs) bands (ev): -22.4827 -22.4827 -17.8609 -17.8608 -5.7411 -5.7403 -4.0498 -4.0483 -3.8545 -3.8513 -3.1742 -3.1708 1.1822 1.1841 1.9409 2.0168 2.4008 2.4948 2.5186 2.6053 2.9016 2.9832 3.0977 3.1331 3.2661 3.2759 5.0133 5.0378 7.7739 7.8206 8.9859 9.0098 12.0825 12.1523 13.7030 13.7322 k = 0.3611 0.1449 0.5250 ( 2052 PWs) bands (ev): -22.4816 -22.4816 -17.8600 -17.8599 -5.7387 -5.7379 -4.0542 -4.0526 -3.8641 -3.8608 -3.1712 -3.1678 1.1543 1.1562 1.9509 2.0285 2.3981 2.5027 2.5264 2.6069 2.9081 2.9864 3.1100 3.1443 3.2657 3.2751 5.0255 5.0499 7.7449 7.7916 9.0308 9.0565 12.1232 12.2030 13.5637 13.5949 k = 0.3556 0.1503 0.5365 ( 2048 PWs) bands (ev): -22.4805 -22.4805 -17.8591 -17.8590 -5.7362 -5.7354 -4.0596 -4.0579 -3.8724 -3.8690 -3.1683 -3.1647 1.1272 1.1290 1.9605 2.0394 2.3960 2.5100 2.5339 2.6086 2.9147 2.9894 3.1224 3.1558 3.2650 3.2748 5.0375 5.0617 7.7164 7.7632 9.0778 9.1054 12.1564 12.2484 13.4315 13.4684 k = 0.3500 0.1558 0.5480 ( 2048 PWs) bands (ev): -22.4794 -22.4794 -17.8582 -17.8581 -5.7338 -5.7331 -4.0659 -4.0642 -3.8793 -3.8759 -3.1653 -3.1617 1.1009 1.1026 1.9698 2.0495 2.3945 2.5167 2.5410 2.6102 2.9211 2.9922 3.1346 3.1675 3.2640 3.2751 5.0493 5.0732 7.6885 7.7354 9.1269 9.1563 12.1789 12.2852 13.3096 13.3559 k = 0.3444 0.1612 0.5594 ( 2052 PWs) bands (ev): -22.4784 -22.4784 -17.8573 -17.8572 -5.7315 -5.7307 -4.0732 -4.0714 -3.8850 -3.8816 -3.1625 -3.1588 1.0754 1.0771 1.9787 2.0587 2.3938 2.5226 2.5479 2.6118 2.9272 2.9947 3.1466 3.1791 3.2629 3.2760 5.0609 5.0843 7.6614 7.7082 9.1781 9.2093 12.1864 12.3084 13.2030 13.2614 k = 0.3389 0.1667 0.5709 ( 2056 PWs) bands (ev): -22.4774 -22.4774 -17.8565 -17.8564 -5.7292 -5.7285 -4.0811 -4.0794 -3.8894 -3.8862 -3.1597 -3.1559 1.0509 1.0525 1.9872 2.0669 2.3938 2.5278 2.5545 2.6134 2.9332 2.9972 3.1581 3.1907 3.2617 3.2775 5.0722 5.0950 7.6351 7.6820 9.2315 9.2645 12.1749 12.3116 13.1183 13.1887 k = 0.3333 0.1722 0.5824 ( 2058 PWs) bands (ev): -22.4764 -22.4764 -17.8557 -17.8555 -5.7270 -5.7263 -4.0896 -4.0879 -3.8928 -3.8896 -3.1569 -3.1531 1.0275 1.0291 1.9953 2.0741 2.3946 2.5323 2.5607 2.6152 2.9388 2.9995 3.1689 3.2020 3.2607 3.2797 5.0831 5.1053 7.6098 7.6567 9.2871 9.3219 12.1412 12.2885 13.0618 13.1406 k = 0.3278 0.1776 0.5938 ( 2056 PWs) bands (ev): -22.4755 -22.4755 -17.8549 -17.8548 -5.7249 -5.7243 -4.0985 -4.0968 -3.8953 -3.8923 -3.1543 -3.1504 1.0052 1.0067 2.0030 2.0803 2.3961 2.5362 2.5667 2.6171 2.9441 3.0018 3.1789 3.2126 3.2603 3.2827 5.0936 5.1150 7.5856 7.6325 9.3449 9.3813 12.0856 12.2367 13.0357 13.1167 k = 0.3222 0.1831 0.6053 ( 2056 PWs) bands (ev): -22.4746 -22.4746 -17.8541 -17.8540 -5.7229 -5.7223 -4.1075 -4.1059 -3.8970 -3.8942 -3.1517 -3.1478 0.9841 0.9856 2.0102 2.0855 2.3983 2.5395 2.5723 2.6190 2.9489 3.0040 3.1879 3.2218 3.2610 3.2864 5.1038 5.1243 7.5627 7.6094 9.4049 9.4429 12.0110 12.1602 13.0360 13.1136 k = 0.3167 0.1886 0.6168 ( 2054 PWs) bands (ev): -22.4737 -22.4737 -17.8534 -17.8533 -5.7210 -5.7204 -4.1165 -4.1149 -3.8981 -3.8954 -3.1493 -3.1454 0.9643 0.9657 2.0171 2.0897 2.4011 2.5421 2.5776 2.6211 2.9534 3.0062 3.1956 3.2290 3.2636 3.2909 5.1134 5.1329 7.5410 7.5877 9.4670 9.5065 11.9222 12.0663 13.0553 13.1265 k = 0.3111 0.1940 0.6283 ( 2052 PWs) bands (ev): -22.4729 -22.4729 -17.8528 -17.8526 -5.7192 -5.7187 -4.1253 -4.1237 -3.8988 -3.8963 -3.1470 -3.1430 0.9458 0.9472 2.0235 2.0929 2.4044 2.5442 2.5825 2.6232 2.9574 3.0083 3.2021 3.2334 3.2686 3.2960 5.1226 5.1409 7.5207 7.5672 9.5312 9.5720 11.8239 11.9619 13.0865 13.1505 k = 0.3056 0.1995 0.6397 ( 2050 PWs) bands (ev): -22.4722 -22.4722 -17.8521 -17.8520 -5.7176 -5.7170 -4.1337 -4.1322 -3.8990 -3.8967 -3.1449 -3.1408 0.9287 0.9301 2.0295 2.0953 2.4082 2.5458 2.5869 2.6253 2.9609 3.0103 3.2075 3.2355 3.2755 3.3016 5.1312 5.1483 7.5018 7.5483 9.5974 9.6392 11.7198 11.8521 13.1243 13.1814 k = 0.3000 0.2050 0.6512 ( 2052 PWs) bands (ev): -22.4715 -22.4715 -17.8516 -17.8514 -5.7160 -5.7155 -4.1417 -4.1402 -3.8990 -3.8970 -3.1429 -3.1388 0.9131 0.9144 2.0350 2.0969 2.4121 2.5470 2.5909 2.6274 2.9640 3.0122 3.2118 3.2360 3.2833 3.3076 5.1392 5.1549 7.4845 7.5309 9.6654 9.7080 11.6131 11.7403 13.1652 13.2161 k = 0.2944 0.2104 0.6627 ( 2050 PWs) bands (ev): -22.4709 -22.4709 -17.8510 -17.8509 -5.7146 -5.7142 -4.1491 -4.1477 -3.8988 -3.8970 -3.1410 -3.1370 0.8990 0.9002 2.0402 2.0978 2.4162 2.5478 2.5945 2.6295 2.9668 3.0139 3.2152 3.2358 3.2914 3.3136 5.1466 5.1608 7.4688 7.5151 9.7349 9.7778 11.5060 11.6289 13.2066 13.2522 k = 0.2889 0.2159 0.6741 ( 2050 PWs) bands (ev): -22.4703 -22.4703 -17.8506 -17.8504 -5.7134 -5.7130 -4.1558 -4.1544 -3.8985 -3.8969 -3.1394 -3.1353 0.8864 0.8876 2.0449 2.0982 2.4203 2.5483 2.5977 2.6314 2.9691 3.0155 3.2178 3.2353 3.2991 3.3194 5.1533 5.1660 7.4548 7.5010 9.8053 9.8482 11.4004 11.5198 13.2468 13.2878 k = 0.2833 0.2214 0.6856 ( 2050 PWs) bands (ev): -22.4698 -22.4698 -17.8502 -17.8500 -5.7123 -5.7119 -4.1618 -4.1604 -3.8981 -3.8967 -3.1380 -3.1338 0.8754 0.8766 2.0492 2.0981 2.4242 2.5485 2.6004 2.6332 2.9710 3.0170 3.2198 3.2346 3.3062 3.3249 5.1593 5.1704 7.4426 7.4886 9.8761 9.9182 11.2980 11.4148 13.2843 13.3215 k = 0.2778 0.2268 0.6971 ( 2054 PWs) bands (ev): -22.4694 -22.4694 -17.8498 -17.8497 -5.7114 -5.7111 -4.1670 -4.1656 -3.8977 -3.8966 -3.1367 -3.1326 0.8660 0.8672 2.0530 2.0976 2.4278 2.5485 2.6026 2.6348 2.9726 3.0182 3.2213 3.2339 3.3124 3.3297 5.1647 5.1740 7.4321 7.4781 9.9462 9.9864 11.2007 11.3156 13.3180 13.3520 k = 0.2722 0.2323 0.7086 ( 2056 PWs) bands (ev): -22.4691 -22.4691 -17.8495 -17.8494 -5.7106 -5.7103 -4.1713 -4.1699 -3.8973 -3.8964 -3.1357 -3.1315 0.8583 0.8595 2.0563 2.0969 2.4309 2.5484 2.6044 2.6362 2.9739 3.0192 3.2225 3.2332 3.3177 3.3339 5.1692 5.1768 7.4234 7.4694 10.0139 10.0509 11.1110 11.2246 13.3469 13.3785 k = 0.2667 0.2378 0.7200 ( 2058 PWs) bands (ev): -22.4688 -22.4688 -17.8493 -17.8492 -5.7100 -5.7097 -4.1746 -4.1733 -3.8970 -3.8963 -3.1349 -3.1307 0.8523 0.8535 2.0590 2.0962 2.4335 2.5483 2.6058 2.6372 2.9748 3.0200 3.2233 3.2326 3.3218 3.3372 5.1730 5.1788 7.4167 7.4625 10.0766 10.1084 11.0320 11.1451 13.3703 13.3999 k = 0.2611 0.2432 0.7315 ( 2060 PWs) bands (ev): -22.4686 -22.4686 -17.8492 -17.8490 -5.7095 -5.7093 -4.1771 -4.1757 -3.8967 -3.8962 -3.1343 -3.1301 0.8480 0.8491 2.0611 2.0955 2.4354 2.5481 2.6068 2.6380 2.9755 3.0205 3.2239 3.2322 3.3249 3.3396 5.1760 5.1800 7.4118 7.4577 10.1303 10.1543 10.9684 11.0815 13.3876 13.4157 k = 0.2556 0.2487 0.7430 ( 2058 PWs) bands (ev): -22.4685 -22.4685 -17.8491 -17.8489 -5.7093 -5.7091 -4.1785 -4.1772 -3.8965 -3.8962 -3.1340 -3.1298 0.8454 0.8465 2.0625 2.0950 2.4366 2.5481 2.6074 2.6385 2.9760 3.0209 3.2242 3.2319 3.3267 3.3411 5.1781 5.1804 7.4089 7.4547 10.1693 10.1827 10.9262 11.0395 13.3981 13.4254 k = 0.2500 0.2541 0.7545 ( 2060 PWs) bands (ev): -22.4684 -22.4684 -17.8490 -17.8489 -5.7092 -5.7090 -4.1790 -4.1777 -3.8964 -3.8962 -3.1339 -3.1297 0.8445 0.8457 2.0629 2.0948 2.4370 2.5480 2.6076 2.6387 2.9761 3.0210 3.2243 3.2318 3.3273 3.3415 5.1790 5.1803 7.4080 7.4537 10.1864 10.1896 10.9112 11.0247 13.4016 13.4286 k = 0.2584-0.2541 0.7545 ( 2068 PWs) bands (ev): -22.4714 -22.4713 -17.8726 -17.8726 -5.6588 -5.6503 -4.0569 -4.0558 -3.7195 -3.7112 -3.2561 -3.2539 1.3864 1.3904 1.6962 1.8418 1.8442 1.9549 2.3899 2.5920 2.6768 2.8446 3.0915 3.0946 3.6238 3.7217 5.0343 5.0413 7.9176 7.9540 10.1200 10.1694 11.7628 11.8190 12.9470 12.9471 k = 0.2638-0.2595 0.7432 ( 2068 PWs) bands (ev): -22.4718 -22.4716 -17.8744 -17.8744 -5.6651 -5.6566 -4.0414 -4.0403 -3.7212 -3.7131 -3.2564 -3.2543 1.4004 1.4043 1.7021 1.8499 1.8554 1.9591 2.3954 2.5921 2.6736 2.8329 3.0855 3.0917 3.6138 3.7122 5.0183 5.0254 7.9321 7.9677 10.0776 10.1259 11.8626 11.9188 12.8857 12.8866 k = 0.2692-0.2648 0.7320 ( 2068 PWs) bands (ev): -22.4722 -22.4721 -17.8762 -17.8762 -5.6714 -5.6631 -4.0253 -4.0242 -3.7230 -3.7151 -3.2568 -3.2547 1.4141 1.4178 1.7076 1.8567 1.8677 1.9649 2.4005 2.5915 2.6705 2.8211 3.0764 3.0923 3.6034 3.7024 5.0030 5.0100 7.9472 7.9819 10.0354 10.0822 11.9616 12.0174 12.8253 12.8272 k = 0.2747-0.2702 0.7208 ( 2066 PWs) bands (ev): -22.4726 -22.4725 -17.8781 -17.8781 -5.6778 -5.6697 -4.0087 -4.0077 -3.7249 -3.7171 -3.2570 -3.2551 1.4275 1.4310 1.7129 1.8620 1.8811 1.9727 2.4051 2.5900 2.6675 2.8094 3.0675 3.0934 3.5927 3.6924 4.9882 4.9952 7.9629 7.9966 9.9935 10.0386 12.0581 12.1134 12.7658 12.7690 k = 0.2801-0.2755 0.7096 ( 2066 PWs) bands (ev): -22.4732 -22.4730 -17.8799 -17.8799 -5.6843 -5.6764 -3.9917 -3.9907 -3.7268 -3.7193 -3.2573 -3.2554 1.4406 1.4437 1.7178 1.8658 1.8953 1.9822 2.4090 2.5874 2.6647 2.7979 3.0588 3.0947 3.5817 3.6821 4.9742 4.9810 7.9791 8.0118 9.9521 9.9954 12.1504 12.2050 12.7077 12.7126 k = 0.2855-0.2809 0.6984 ( 2062 PWs) bands (ev): -22.4737 -22.4736 -17.8817 -17.8817 -5.6908 -5.6830 -3.9743 -3.9734 -3.7288 -3.7215 -3.2575 -3.2557 1.4533 1.4559 1.7224 1.8682 1.9103 1.9934 2.4121 2.5836 2.6623 2.7871 3.0506 3.0965 3.5705 3.6715 4.9611 4.9678 7.9957 8.0274 9.9113 9.9527 12.2359 12.2901 12.6514 12.6588 k = 0.2910-0.2862 0.6871 ( 2063 PWs) bands (ev): -22.4742 -22.4741 -17.8834 -17.8834 -5.6973 -5.6898 -3.9567 -3.9558 -3.7308 -3.7237 -3.2576 -3.2559 1.4656 1.4678 1.7268 1.8693 1.9260 2.0059 2.4142 2.5783 2.6603 2.7771 3.0428 3.0985 3.5589 3.6607 4.9488 4.9553 8.0128 8.0435 9.8712 9.9105 12.3110 12.3656 12.5986 12.6097 k = 0.2964-0.2916 0.6759 ( 2065 PWs) bands (ev): -22.4748 -22.4747 -17.8852 -17.8852 -5.7038 -5.6964 -3.9389 -3.9380 -3.7329 -3.7260 -3.2578 -3.2561 1.4775 1.4792 1.7309 1.8695 1.9422 2.0196 2.4150 2.5713 2.6589 2.7683 3.0357 3.1009 3.5472 3.6497 4.9373 4.9437 8.0304 8.0599 9.8317 9.8691 12.3683 12.4238 12.5552 12.5710 k = 0.3018-0.2969 0.6647 ( 2067 PWs) bands (ev): -22.4755 -22.4753 -17.8869 -17.8869 -5.7103 -5.7031 -3.9210 -3.9201 -3.7349 -3.7283 -3.2579 -3.2563 1.4889 1.4901 1.7348 1.8689 1.9589 2.0340 2.4146 2.5627 2.6583 2.7607 3.0293 3.1036 3.5352 3.6384 4.9268 4.9329 8.0483 8.0768 9.7929 9.8283 12.3929 12.4384 12.5461 12.5560 k = 0.3073-0.3022 0.6535 ( 2065 PWs) bands (ev): -22.4761 -22.4760 -17.8886 -17.8886 -5.7166 -5.7097 -3.9030 -3.9022 -3.7369 -3.7305 -3.2579 -3.2565 1.4999 1.5006 1.7385 1.8677 1.9759 2.0489 2.4128 2.5524 2.6585 2.7546 3.0238 3.1066 3.5231 3.6269 4.9172 4.9231 8.0667 8.0940 9.7549 9.7882 12.3775 12.4051 12.5706 12.5742 k = 0.3127-0.3076 0.6423 ( 2062 PWs) bands (ev): -22.4767 -22.4766 -17.8903 -17.8903 -5.7229 -5.7162 -3.8852 -3.8844 -3.7388 -3.7327 -3.2580 -3.2566 1.5104 1.5106 1.7421 1.8660 1.9930 2.0643 2.4095 2.5405 2.6596 2.7499 3.0191 3.1100 3.5109 3.6153 4.9085 4.9142 8.0854 8.1116 9.7176 9.7489 12.3412 12.3592 12.5950 12.6037 k = 0.3181-0.3129 0.6310 ( 2062 PWs) bands (ev): -22.4774 -22.4773 -17.8919 -17.8919 -5.7291 -5.7226 -3.8675 -3.8668 -3.7407 -3.7348 -3.2580 -3.2567 1.5202 1.5205 1.7455 1.8639 2.0102 2.0798 2.4048 2.5273 2.6616 2.7465 3.0154 3.1136 3.4986 3.6035 4.9006 4.9060 8.1044 8.1294 9.6810 9.7104 12.2984 12.3115 12.6150 12.6242 k = 0.3236-0.3183 0.6198 ( 2062 PWs) bands (ev): -22.4780 -22.4779 -17.8935 -17.8935 -5.7351 -5.7289 -3.8501 -3.8495 -3.7424 -3.7367 -3.2580 -3.2567 1.5293 1.5300 1.7488 1.8615 2.0273 2.0953 2.3987 2.5129 2.6645 2.7441 3.0127 3.1174 3.4862 3.5916 4.8936 4.8988 8.1236 8.1475 9.6452 9.6726 12.2540 12.2643 12.6263 12.6345 k = 0.3290-0.3236 0.6086 ( 2062 PWs) bands (ev): -22.4787 -22.4786 -17.8950 -17.8950 -5.7409 -5.7350 -3.8333 -3.8327 -3.7438 -3.7384 -3.2579 -3.2567 1.5379 1.5391 1.7519 1.8589 2.0443 2.1106 2.3914 2.4978 2.6681 2.7427 3.0111 3.1215 3.4739 3.5796 4.8874 4.8923 8.1430 8.1658 9.6102 9.6358 12.2099 12.2183 12.6288 12.6353 k = 0.3344-0.3290 0.5974 ( 2064 PWs) bands (ev): -22.4793 -22.4792 -17.8964 -17.8964 -5.7466 -5.7410 -3.8171 -3.8167 -3.7447 -3.7398 -3.2579 -3.2568 1.5462 1.5477 1.7549 1.8560 2.0609 2.1258 2.3831 2.4820 2.6725 2.7421 3.0104 3.1258 3.4616 3.5674 4.8819 4.8865 8.1626 8.1841 9.5760 9.5997 12.1668 12.1740 12.6235 12.6284 k = 0.3399-0.3343 0.5862 ( 2064 PWs) bands (ev): -22.4800 -22.4799 -17.8978 -17.8978 -5.7520 -5.7467 -3.8020 -3.8018 -3.7449 -3.7404 -3.2578 -3.2567 1.5539 1.5557 1.7579 1.8530 2.0772 2.1406 2.3739 2.4661 2.6774 2.7421 3.0109 3.1302 3.4495 3.5552 4.8771 4.8814 8.1823 8.2026 9.5427 9.5647 12.1252 12.1314 12.6120 12.6154 k = 0.3453-0.3397 0.5750 ( 2068 PWs) bands (ev): -22.4806 -22.4805 -17.8992 -17.8992 -5.7573 -5.7522 -3.7888 -3.7886 -3.7437 -3.7399 -3.2577 -3.2567 1.5612 1.5633 1.7607 1.8499 2.0929 2.1549 2.3641 2.4501 2.6827 2.7425 3.0123 3.1346 3.4376 3.5430 4.8729 4.8770 8.2019 8.2210 9.5104 9.5306 12.0854 12.0908 12.5959 12.5981 k = 0.3507-0.3450 0.5637 ( 2066 PWs) bands (ev): -22.4812 -22.4811 -17.9004 -17.9004 -5.7622 -5.7575 -3.7788 -3.7779 -3.7400 -3.7371 -3.2576 -3.2567 1.5681 1.5703 1.7635 1.8467 2.1080 2.1686 2.3539 2.4344 2.6883 2.7433 3.0148 3.1390 3.4260 3.5307 4.8694 4.8732 8.2215 8.2394 9.4791 9.4976 12.0475 12.0522 12.5766 12.5778 k = 0.3562-0.3503 0.5525 ( 2066 PWs) bands (ev): -22.4818 -22.4817 -17.9016 -17.9016 -5.7669 -5.7625 -3.7728 -3.7710 -3.7329 -3.7312 -3.2575 -3.2567 1.5745 1.5769 1.7662 1.8433 2.1225 2.1818 2.3435 2.4190 2.6941 2.7443 3.0183 3.1433 3.4148 3.5184 4.8663 4.8698 8.2408 8.2575 9.4489 9.4657 12.0118 12.0159 12.5553 12.5557 k = 0.3616-0.3557 0.5413 ( 2065 PWs) bands (ev): -22.4823 -22.4822 -17.9028 -17.9028 -5.7713 -5.7672 -3.7700 -3.7676 -3.7232 -3.7223 -3.2574 -3.2566 1.5805 1.5829 1.7689 1.8400 2.1362 2.1942 2.3331 2.4042 2.6999 2.7454 3.0227 3.1474 3.4043 3.5062 4.8638 4.8670 8.2599 8.2754 9.4199 9.4352 11.9782 11.9819 12.5328 12.5329 k = 0.3670-0.3610 0.5301 ( 2065 PWs) bands (ev): -22.4828 -22.4828 -17.9038 -17.9038 -5.7754 -5.7716 -3.7691 -3.7666 -3.7123 -3.7119 -3.2573 -3.2566 1.5860 1.5884 1.7716 1.8366 2.1491 2.2058 2.3229 2.3901 2.7057 2.7466 3.0280 3.1510 3.3944 3.4941 4.8617 4.8647 8.2785 8.2928 9.3922 9.4060 11.9470 11.9502 12.5098 12.5104 k = 0.3725-0.3664 0.5189 ( 2065 PWs) bands (ev): -22.4833 -22.4833 -17.9048 -17.9048 -5.7792 -5.7758 -3.7692 -3.7666 -3.7013 -3.7011 -3.2571 -3.2565 1.5911 1.5935 1.7742 1.8332 2.1611 2.2167 2.3131 2.3768 2.7113 2.7479 3.0342 3.1541 3.3854 3.4820 4.8600 4.8627 8.2965 8.3096 9.3660 9.3783 11.9182 11.9210 12.4874 12.4882 k = 0.3779-0.3717 0.5076 ( 2060 PWs) bands (ev): -22.4837 -22.4837 -17.9057 -17.9057 -5.7827 -5.7795 -3.7696 -3.7672 -3.6908 -3.6907 -3.2570 -3.2565 1.5957 1.5980 1.7768 1.8299 2.1722 2.2266 2.3038 2.3645 2.7167 2.7490 3.0411 3.1564 3.3776 3.4701 4.8586 4.8610 8.3139 8.3257 9.3414 9.3523 11.8919 11.8944 12.4660 12.4670 k = 0.3833-0.3771 0.4964 ( 2059 PWs) bands (ev): -22.4842 -22.4841 -17.9065 -17.9065 -5.7858 -5.7830 -3.7702 -3.7680 -3.6809 -3.6809 -3.2569 -3.2564 1.5998 1.6020 1.7794 1.8265 2.1824 2.2354 2.2952 2.3531 2.7218 2.7500 3.0488 3.1577 3.3710 3.4584 4.8575 4.8596 8.3303 8.3408 9.3187 9.3282 11.8682 11.8703 12.4460 12.4471 k = 0.3888-0.3824 0.4852 ( 2057 PWs) bands (ev): -22.4845 -22.4845 -17.9072 -17.9072 -5.7885 -5.7861 -3.7709 -3.7689 -3.6720 -3.6720 -3.2568 -3.2564 1.6035 1.6055 1.7820 1.8232 2.1916 2.2430 2.2876 2.3427 2.7266 2.7508 3.0570 3.1578 3.3661 3.4469 4.8566 4.8585 8.3455 8.3548 9.2979 9.3061 11.8471 11.8489 12.4278 12.4289 k = 0.3942-0.3878 0.4740 ( 2059 PWs) bands (ev): -22.4848 -22.4848 -17.9078 -17.9078 -5.7909 -5.7888 -3.7715 -3.7698 -3.6641 -3.6641 -3.2567 -3.2563 1.6067 1.6085 1.7846 1.8198 2.1999 2.2489 2.2817 2.3333 2.7310 2.7514 3.0658 3.1566 3.3627 3.4356 4.8559 4.8575 8.3594 8.3674 9.2794 9.2863 11.8287 11.8303 12.4116 12.4126 k = 0.3996-0.3931 0.4628 ( 2061 PWs) bands (ev): -22.4851 -22.4851 -17.9083 -17.9083 -5.7929 -5.7911 -3.7720 -3.7706 -3.6573 -3.6572 -3.2566 -3.2563 1.6094 1.6110 1.7873 1.8166 2.2073 2.2520 2.2784 2.3250 2.7350 2.7518 3.0749 3.1540 3.3612 3.4248 4.8555 4.8568 8.3718 8.3785 9.2633 9.2689 11.8131 11.8144 12.3976 12.3985 k = 0.4051-0.3984 0.4515 ( 2059 PWs) bands (ev): -22.4853 -22.4853 -17.9088 -17.9088 -5.7945 -5.7931 -3.7725 -3.7713 -3.6516 -3.6516 -3.2565 -3.2563 1.6117 1.6130 1.7900 1.8134 2.2139 2.2515 2.2787 2.3176 2.7386 2.7518 3.0843 3.1499 3.3616 3.4144 4.8551 4.8562 8.3825 8.3879 9.2498 9.2543 11.8003 11.8013 12.3859 12.3867 k = 0.4105-0.4038 0.4403 ( 2064 PWs) bands (ev): -22.4855 -22.4855 -17.9091 -17.9091 -5.7958 -5.7947 -3.7728 -3.7720 -3.6472 -3.6472 -3.2564 -3.2563 1.6135 1.6144 1.7927 1.8102 2.2198 2.2483 2.2816 2.3110 2.7417 2.7515 3.0939 3.1445 3.3636 3.4044 4.8549 4.8557 8.3911 8.3952 9.2392 9.2425 11.7903 11.7911 12.3768 12.3774 k = 0.4159-0.4091 0.4291 ( 2068 PWs) bands (ev): -22.4857 -22.4856 -17.9093 -17.9093 -5.7966 -5.7959 -3.7731 -3.7725 -3.6440 -3.6440 -3.2564 -3.2563 1.6148 1.6154 1.7954 1.8071 2.2252 2.2441 2.2856 2.3051 2.7443 2.7509 3.1034 3.1379 3.3674 3.3951 4.8548 4.8553 8.3977 8.4004 9.2316 9.2338 11.7832 11.7837 12.3702 12.3706 k = 0.4214-0.4145 0.4179 ( 2068 PWs) bands (ev): -22.4857 -22.4857 -17.9095 -17.9095 -5.7970 -5.7966 -3.7731 -3.7728 -3.6421 -3.6420 -3.2563 -3.2563 1.6156 1.6160 1.7983 1.8041 2.2301 2.2395 2.2901 2.2997 2.7466 2.7499 3.1128 3.1302 3.3726 3.3867 4.8548 4.8551 8.4019 8.4033 9.2272 9.2283 11.7790 11.7793 12.3663 12.3665 k = 0.4268-0.4198 0.4067 ( 2072 PWs) bands (ev): -22.4858 -22.4858 -17.9095 -17.9095 -5.7970 -5.7970 -3.7730 -3.7730 -3.6414 -3.6414 -3.2563 -3.2563 1.6160 1.6160 1.8012 1.8012 2.2349 2.2349 2.2948 2.2948 2.7484 2.7484 3.1218 3.1218 3.3791 3.3791 4.8549 4.8549 8.4038 8.4038 9.2261 9.2261 11.7777 11.7777 12.3650 12.3650 k = 0.5732 0.4363 0.0698 ( 2072 PWs) bands (ev): -22.4858 -22.4858 -17.9095 -17.9095 -5.7970 -5.7970 -3.7730 -3.7730 -3.6414 -3.6414 -3.2563 -3.2563 1.6160 1.6160 1.8012 1.8012 2.2349 2.2349 2.2948 2.2948 2.7484 2.7484 3.1218 3.1218 3.3791 3.3791 4.8549 4.8549 8.4038 8.4038 9.2261 9.2261 11.7777 11.7777 12.3650 12.3650 k = 0.5651 0.4443 0.0620 ( 2076 PWs) bands (ev): -22.4855 -22.4855 -17.9104 -17.9104 -5.7912 -5.7912 -3.7663 -3.7663 -3.6422 -3.6422 -3.2578 -3.2578 1.6211 1.6211 1.7681 1.7681 2.2260 2.2260 2.2891 2.2891 2.7450 2.7450 3.1425 3.1425 3.3805 3.3805 4.8543 4.8543 8.4113 8.4113 9.2872 9.2872 11.7409 11.7409 12.3932 12.3932 k = 0.5569 0.4523 0.0543 ( 2072 PWs) bands (ev): -22.4853 -22.4853 -17.9112 -17.9112 -5.7858 -5.7858 -3.7603 -3.7603 -3.6429 -3.6429 -3.2592 -3.2592 1.6255 1.6255 1.7382 1.7382 2.2172 2.2172 2.2850 2.2850 2.7418 2.7418 3.1608 3.1608 3.3824 3.3824 4.8537 4.8537 8.4181 8.4181 9.3426 9.3426 11.7080 11.7080 12.4260 12.4260 k = 0.5488 0.4603 0.0465 ( 2070 PWs) bands (ev): -22.4851 -22.4851 -17.9118 -17.9118 -5.7809 -5.7809 -3.7550 -3.7550 -3.6435 -3.6435 -3.2605 -3.2605 1.6292 1.6292 1.7119 1.7119 2.2091 2.2091 2.2821 2.2821 2.7389 2.7389 3.1764 3.1764 3.3848 3.3848 4.8533 4.8533 8.4241 8.4241 9.3918 9.3918 11.6792 11.6792 12.4633 12.4633 k = 0.5407 0.4683 0.0388 ( 2066 PWs) bands (ev): -22.4850 -22.4850 -17.9124 -17.9124 -5.7767 -5.7767 -3.7504 -3.7504 -3.6440 -3.6440 -3.2615 -3.2615 1.6320 1.6320 1.6895 1.6895 2.2018 2.2018 2.2799 2.2799 2.7364 2.7364 3.1892 3.1892 3.3874 3.3874 4.8529 4.8529 8.4293 8.4293 9.4342 9.4342 11.6546 11.6546 12.5045 12.5045 k = 0.5325 0.4763 0.0310 ( 2054 PWs) bands (ev): -22.4849 -22.4849 -17.9129 -17.9129 -5.7732 -5.7732 -3.7465 -3.7465 -3.6444 -3.6444 -3.2624 -3.2624 1.6335 1.6335 1.6718 1.6718 2.1956 2.1956 2.2783 2.2783 2.7344 2.7344 3.1995 3.1995 3.3901 3.3901 4.8526 4.8526 8.4336 8.4336 9.4695 9.4695 11.6343 11.6343 12.5487 12.5487 k = 0.5244 0.4843 0.0233 ( 2054 PWs) bands (ev): -22.4848 -22.4848 -17.9132 -17.9132 -5.7704 -5.7704 -3.7435 -3.7435 -3.6447 -3.6447 -3.2630 -3.2630 1.6331 1.6331 1.6593 1.6593 2.1908 2.1908 2.2772 2.2772 2.7327 2.7327 3.2072 3.2072 3.3925 3.3925 4.8523 4.8523 8.4370 8.4370 9.4974 9.4974 11.6184 11.6184 12.5939 12.5939 k = 0.5163 0.4923 0.0155 ( 2058 PWs) bands (ev): -22.4847 -22.4847 -17.9135 -17.9135 -5.7683 -5.7683 -3.7413 -3.7413 -3.6449 -3.6449 -3.2635 -3.2635 1.6303 1.6303 1.6527 1.6527 2.1872 2.1872 2.2763 2.2763 2.7315 2.7315 3.2126 3.2126 3.3944 3.3944 4.8521 4.8521 8.4394 8.4394 9.5174 9.5174 11.6070 11.6070 12.6366 12.6366 k = 0.5081 0.5003 0.0078 ( 2054 PWs) bands (ev): -22.4847 -22.4847 -17.9136 -17.9136 -5.7671 -5.7671 -3.7400 -3.7400 -3.6451 -3.6451 -3.2638 -3.2638 1.6271 1.6271 1.6504 1.6504 2.1851 2.1851 2.2759 2.2759 2.7308 2.7308 3.2158 3.2158 3.3957 3.3957 4.8520 4.8520 8.4408 8.4408 9.5295 9.5295 11.6001 11.6001 12.6696 12.6696 k = 0.5000 0.5083-0.0000 ( 2058 PWs) bands (ev): -22.4847 -22.4847 -17.9137 -17.9137 -5.7667 -5.7667 -3.7396 -3.7396 -3.6451 -3.6451 -3.2639 -3.2639 1.6257 1.6257 1.6498 1.6498 2.1843 2.1843 2.2757 2.2757 2.7305 2.7305 3.2168 3.2168 3.3961 3.3961 4.8519 4.8519 8.4413 8.4413 9.5336 9.5336 11.5978 11.5978 12.6827 12.6827 Writing output data file AgNO2.save init_run : 3.31s CPU 13.91s WALL ( 1 calls) electrons : 295.64s CPU 362.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.18s CPU 2.45s WALL ( 1 calls) Called by electrons: c_bands : 295.53s CPU 362.45s WALL ( 1 calls) v_of_rho : 0.03s CPU 1.22s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.02s CPU 0.89s WALL ( 1 calls) newd : 0.17s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.20s WALL ( 449 calls) cegterg : 269.42s CPU 326.66s WALL ( 611 calls) Called by sum_band: Called by *egterg: h_psi : 130.50s CPU 163.66s WALL ( 10403 calls) s_psi : 8.00s CPU 10.83s WALL ( 10403 calls) g_psi : 0.19s CPU 0.26s WALL ( 9343 calls) cdiaghg : 100.31s CPU 117.96s WALL ( 9792 calls) cegterg:over : 22.80s CPU 24.28s WALL ( 9343 calls) cegterg:upda : 1.97s CPU 5.05s WALL ( 9343 calls) cegterg:last : 2.27s CPU 4.02s WALL ( 1973 calls) Called by h_psi: h_psi:vloc : 112.44s CPU 142.03s WALL ( 10403 calls) h_psi:vnl : 17.98s CPU 20.91s WALL ( 10403 calls) add_vuspsi : 3.17s CPU 8.12s WALL ( 10403 calls) General routines calbec : 14.79s CPU 12.66s WALL ( 10403 calls) fft : 0.07s CPU 1.34s WALL ( 19 calls) ffts : 0.02s CPU 0.55s WALL ( 4 calls) fftw : 107.26s CPU 134.91s WALL ( 944164 calls) interpolate : 0.04s CPU 0.57s WALL ( 4 calls) davcio : 0.05s CPU 2.19s WALL ( 898 calls) Parallel routines fft_scatter : 72.63s CPU 92.54s WALL ( 944187 calls) PWSCF : 5m37.81s CPU 8m20.90s WALL This run was terminated on: 18:25: 1 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=