Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:53:21 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Na2CN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 26 8 1226 907 147 Max 33 27 9 1232 920 150 Sum 1181 961 293 44263 32847 5359 bravais-lattice index = 14 lattice parameter (alat) = 6.7137 a.u. unit-cell volume = 442.7974 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.713666 celldm(2)= 1.000000 celldm(3)= 1.558074 celldm(4)= 0.243928 celldm(5)= 0.243928 celldm(6)= 0.009255 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.009255 0.999957 0.000000 ) a(3) = ( 0.380058 0.376557 1.463337 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.009255 -0.257338 ) b(2) = ( 0.000000 1.000043 -0.257338 ) b(3) = ( 0.000000 0.000000 0.683369 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/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 atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 441 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0078855 0.0078128 -0.0020105), wk = 0.0022676 k( 3) = ( 0.0157710 0.0156257 -0.0040209), wk = 0.0022676 k( 4) = ( 0.0236564 0.0234385 -0.0060314), wk = 0.0022676 k( 5) = ( 0.0315419 0.0312513 -0.0080418), wk = 0.0022676 k( 6) = ( 0.0394274 0.0390642 -0.0100523), wk = 0.0022676 k( 7) = ( 0.0473129 0.0468770 -0.0120627), wk = 0.0022676 k( 8) = ( 0.0551984 0.0546898 -0.0140732), wk = 0.0022676 k( 9) = ( 0.0630838 0.0625027 -0.0160836), wk = 0.0022676 k( 10) = ( 0.0709693 0.0703155 -0.0180941), wk = 0.0022676 k( 11) = ( 0.0788548 0.0781283 -0.0201046), wk = 0.0022676 k( 12) = ( 0.0867403 0.0859412 -0.0221150), wk = 0.0022676 k( 13) = ( 0.0946257 0.0937540 -0.0241255), wk = 0.0022676 k( 14) = ( 0.1025112 0.1015668 -0.0261359), wk = 0.0022676 k( 15) = ( 0.1103967 0.1093797 -0.0281464), wk = 0.0022676 k( 16) = ( 0.1182822 0.1171925 -0.0301568), wk = 0.0022676 k( 17) = ( 0.1261677 0.1250054 -0.0321673), wk = 0.0022676 k( 18) = ( 0.1340532 0.1328182 -0.0341778), wk = 0.0022676 k( 19) = ( 0.1419386 0.1406310 -0.0361882), wk = 0.0022676 k( 20) = ( 0.1498241 0.1484439 -0.0381987), wk = 0.0022676 k( 21) = ( 0.1577096 0.1562567 -0.0402091), wk = 0.0022676 k( 22) = ( 0.1655951 0.1640695 -0.0422196), wk = 0.0022676 k( 23) = ( 0.1734806 0.1718824 -0.0442300), wk = 0.0022676 k( 24) = ( 0.1813660 0.1796952 -0.0462405), wk = 0.0022676 k( 25) = ( 0.1892515 0.1875080 -0.0482509), wk = 0.0022676 k( 26) = ( 0.1971370 0.1953209 -0.0502614), wk = 0.0022676 k( 27) = ( 0.2050225 0.2031337 -0.0522719), wk = 0.0022676 k( 28) = ( 0.2129079 0.2109465 -0.0542823), wk = 0.0022676 k( 29) = ( 0.2207934 0.2187594 -0.0562928), wk = 0.0022676 k( 30) = ( 0.2286789 0.2265722 -0.0583032), wk = 0.0022676 k( 31) = ( 0.2365644 0.2343850 -0.0603137), wk = 0.0022676 k( 32) = ( 0.2444499 0.2421979 -0.0623241), wk = 0.0022676 k( 33) = ( 0.2523353 0.2500107 -0.0643346), wk = 0.0022676 k( 34) = ( 0.2602208 0.2578235 -0.0663451), wk = 0.0022676 k( 35) = ( 0.2681063 0.2656364 -0.0683555), wk = 0.0022676 k( 36) = ( 0.2759918 0.2734492 -0.0703660), wk = 0.0022676 k( 37) = ( 0.2838773 0.2812620 -0.0723764), wk = 0.0022676 k( 38) = ( 0.2917627 0.2890749 -0.0743869), wk = 0.0022676 k( 39) = ( 0.2996482 0.2968877 -0.0763973), wk = 0.0022676 k( 40) = ( 0.3075337 0.3047006 -0.0784078), wk = 0.0022676 k( 41) = ( 0.3154192 0.3125134 -0.0804182), wk = 0.0022676 k( 42) = ( 0.3233047 0.3203262 -0.0824287), wk = 0.0022676 k( 43) = ( 0.3311901 0.3281391 -0.0844392), wk = 0.0022676 k( 44) = ( 0.3390756 0.3359519 -0.0864496), wk = 0.0022676 k( 45) = ( 0.3469611 0.3437647 -0.0884601), wk = 0.0022676 k( 46) = ( 0.3548466 0.3515776 -0.0904705), wk = 0.0022676 k( 47) = ( 0.3627320 0.3593904 -0.0924810), wk = 0.0022676 k( 48) = ( 0.3706175 0.3672032 -0.0944914), wk = 0.0022676 k( 49) = ( 0.3785030 0.3750161 -0.0965019), wk = 0.0022676 k( 50) = ( 0.3863885 0.3828289 -0.0985123), wk = 0.0022676 k( 51) = ( 0.3942740 0.3906417 -0.1005228), wk = 0.0022676 k( 52) = ( 0.4021594 0.3984546 -0.1025333), wk = 0.0022676 k( 53) = ( 0.4100449 0.4062674 -0.1045437), wk = 0.0022676 k( 54) = ( 0.4179304 0.4140802 -0.1065542), wk = 0.0022676 k( 55) = ( 0.4258159 0.4218931 -0.1085646), wk = 0.0022676 k( 56) = ( 0.4337014 0.4297059 -0.1105751), wk = 0.0022676 k( 57) = ( 0.4415868 0.4375187 -0.1125855), wk = 0.0022676 k( 58) = ( 0.4494723 0.4453316 -0.1145960), wk = 0.0022676 k( 59) = ( 0.4573578 0.4531444 -0.1166065), wk = 0.0022676 k( 60) = ( 0.4652433 0.4609572 -0.1186169), wk = 0.0022676 k( 61) = ( 0.4731288 0.4687701 -0.1206274), wk = 0.0022676 k( 62) = ( 0.4810142 0.4765829 -0.1226378), wk = 0.0022676 k( 63) = ( 0.4888997 0.4843958 -0.1246483), wk = 0.0022676 k( 64) = ( 0.4967852 0.4922086 -0.1266587), wk = 0.0022676 k( 65) = ( 0.5046707 0.5000214 -0.1286692), wk = 0.0022676 k( 66) = ( 0.5046707 0.5000214 -0.1286692), wk = 0.0022676 k( 67) = ( 0.5073052 0.5026316 -0.1185256), wk = 0.0022676 k( 68) = ( 0.5099397 0.5052419 -0.1083820), wk = 0.0022676 k( 69) = ( 0.5125742 0.5078521 -0.0982384), wk = 0.0022676 k( 70) = ( 0.5152087 0.5104623 -0.0880948), wk = 0.0022676 k( 71) = ( 0.5178432 0.5130725 -0.0779512), wk = 0.0022676 k( 72) = ( 0.5204777 0.5156828 -0.0678076), wk = 0.0022676 k( 73) = ( 0.5231121 0.5182930 -0.0576640), wk = 0.0022676 k( 74) = ( 0.5257466 0.5209032 -0.0475204), wk = 0.0022676 k( 75) = ( 0.5283811 0.5235134 -0.0373768), wk = 0.0022676 k( 76) = ( 0.5310156 0.5261237 -0.0272332), wk = 0.0022676 k( 77) = ( 0.5336501 0.5287339 -0.0170896), wk = 0.0022676 k( 78) = ( 0.5362846 0.5313441 -0.0069460), wk = 0.0022676 k( 79) = ( 0.5389191 0.5339543 0.0031976), wk = 0.0022676 k( 80) = ( 0.5415536 0.5365646 0.0133412), wk = 0.0022676 k( 81) = ( 0.5441881 0.5391748 0.0234848), wk = 0.0022676 k( 82) = ( 0.5468226 0.5417850 0.0336284), wk = 0.0022676 k( 83) = ( 0.5494571 0.5443952 0.0437720), wk = 0.0022676 k( 84) = ( 0.5520916 0.5470055 0.0539156), wk = 0.0022676 k( 85) = ( 0.5547261 0.5496157 0.0640592), wk = 0.0022676 k( 86) = ( 0.5573606 0.5522259 0.0742028), wk = 0.0022676 k( 87) = ( 0.5599951 0.5548361 0.0843463), wk = 0.0022676 k( 88) = ( 0.5599951 0.5548361 0.0843463), wk = 0.0022676 k( 89) = ( 0.5558970 0.5507758 0.0938774), wk = 0.0022676 k( 90) = ( 0.5517989 0.5467154 0.1034085), wk = 0.0022676 k( 91) = ( 0.5477008 0.5426551 0.1129395), wk = 0.0022676 k( 92) = ( 0.5436027 0.5385947 0.1224706), wk = 0.0022676 k( 93) = ( 0.5395046 0.5345344 0.1320016), wk = 0.0022676 k( 94) = ( 0.5354065 0.5304740 0.1415327), wk = 0.0022676 k( 95) = ( 0.5313084 0.5264137 0.1510637), wk = 0.0022676 k( 96) = ( 0.5272103 0.5223533 0.1605948), wk = 0.0022676 k( 97) = ( 0.5231121 0.5182930 0.1701258), wk = 0.0022676 k( 98) = ( 0.5190141 0.5142326 0.1796569), wk = 0.0022676 k( 99) = ( 0.5149159 0.5101723 0.1891879), wk = 0.0022676 k( 100) = ( 0.5108178 0.5061119 0.1987190), wk = 0.0022676 k( 101) = ( 0.5067197 0.5020516 0.2082500), wk = 0.0022676 k( 102) = ( 0.5026216 0.4979912 0.2177811), wk = 0.0022676 k( 103) = ( 0.4985235 0.4939309 0.2273121), wk = 0.0022676 k( 104) = ( 0.4944254 0.4898705 0.2368432), wk = 0.0022676 k( 105) = ( 0.4903273 0.4858102 0.2463742), wk = 0.0022676 k( 106) = ( 0.4862292 0.4817498 0.2559053), wk = 0.0022676 k( 107) = ( 0.4821311 0.4776895 0.2654363), wk = 0.0022676 k( 108) = ( 0.4780330 0.4736291 0.2749674), wk = 0.0022676 k( 109) = ( 0.4739349 0.4695688 0.2844984), wk = 0.0022676 k( 110) = ( 0.4698368 0.4655084 0.2940295), wk = 0.0022676 k( 111) = ( 0.4657387 0.4614481 0.3035605), wk = 0.0022676 k( 112) = ( 0.4616406 0.4573877 0.3130916), wk = 0.0022676 k( 113) = ( 0.4575425 0.4533274 0.3226226), wk = 0.0022676 k( 114) = ( 0.4534444 0.4492670 0.3321537), wk = 0.0022676 k( 115) = ( 0.4493463 0.4452067 0.3416847), wk = 0.0022676 k( 116) = ( 0.4493463 0.4452067 0.3416847), wk = 0.0022676 k( 117) = ( 0.4413222 0.4372566 0.3416847), wk = 0.0022676 k( 118) = ( 0.4332982 0.4293064 0.3416847), wk = 0.0022676 k( 119) = ( 0.4252742 0.4213563 0.3416847), wk = 0.0022676 k( 120) = ( 0.4172501 0.4134062 0.3416847), wk = 0.0022676 k( 121) = ( 0.4092261 0.4054561 0.3416847), wk = 0.0022676 k( 122) = ( 0.4012020 0.3975060 0.3416847), wk = 0.0022676 k( 123) = ( 0.3931780 0.3895559 0.3416847), wk = 0.0022676 k( 124) = ( 0.3851540 0.3816057 0.3416847), wk = 0.0022676 k( 125) = ( 0.3771299 0.3736556 0.3416847), wk = 0.0022676 k( 126) = ( 0.3691059 0.3657055 0.3416847), wk = 0.0022676 k( 127) = ( 0.3610818 0.3577554 0.3416847), wk = 0.0022676 k( 128) = ( 0.3530578 0.3498053 0.3416847), wk = 0.0022676 k( 129) = ( 0.3450337 0.3418551 0.3416847), wk = 0.0022676 k( 130) = ( 0.3370097 0.3339050 0.3416847), wk = 0.0022676 k( 131) = ( 0.3289857 0.3259549 0.3416847), wk = 0.0022676 k( 132) = ( 0.3209616 0.3180048 0.3416847), wk = 0.0022676 k( 133) = ( 0.3129376 0.3100547 0.3416847), wk = 0.0022676 k( 134) = ( 0.3049135 0.3021045 0.3416847), wk = 0.0022676 k( 135) = ( 0.2968895 0.2941544 0.3416847), wk = 0.0022676 k( 136) = ( 0.2888655 0.2862043 0.3416847), wk = 0.0022676 k( 137) = ( 0.2808414 0.2782542 0.3416847), wk = 0.0022676 k( 138) = ( 0.2728174 0.2703041 0.3416847), wk = 0.0022676 k( 139) = ( 0.2647933 0.2623539 0.3416847), wk = 0.0022676 k( 140) = ( 0.2567693 0.2544038 0.3416847), wk = 0.0022676 k( 141) = ( 0.2487453 0.2464537 0.3416847), wk = 0.0022676 k( 142) = ( 0.2407212 0.2385036 0.3416847), wk = 0.0022676 k( 143) = ( 0.2326972 0.2305535 0.3416847), wk = 0.0022676 k( 144) = ( 0.2246731 0.2226033 0.3416847), wk = 0.0022676 k( 145) = ( 0.2166491 0.2146532 0.3416847), wk = 0.0022676 k( 146) = ( 0.2086251 0.2067031 0.3416847), wk = 0.0022676 k( 147) = ( 0.2006010 0.1987530 0.3416847), wk = 0.0022676 k( 148) = ( 0.1925770 0.1908029 0.3416847), wk = 0.0022676 k( 149) = ( 0.1845529 0.1828527 0.3416847), wk = 0.0022676 k( 150) = ( 0.1765289 0.1749026 0.3416847), wk = 0.0022676 k( 151) = ( 0.1685049 0.1669525 0.3416847), wk = 0.0022676 k( 152) = ( 0.1604808 0.1590024 0.3416847), wk = 0.0022676 k( 153) = ( 0.1524568 0.1510523 0.3416847), wk = 0.0022676 k( 154) = ( 0.1444327 0.1431021 0.3416847), wk = 0.0022676 k( 155) = ( 0.1364087 0.1351520 0.3416847), wk = 0.0022676 k( 156) = ( 0.1283846 0.1272019 0.3416847), wk = 0.0022676 k( 157) = ( 0.1203606 0.1192518 0.3416847), wk = 0.0022676 k( 158) = ( 0.1123366 0.1113017 0.3416847), wk = 0.0022676 k( 159) = ( 0.1043125 0.1033516 0.3416847), wk = 0.0022676 k( 160) = ( 0.0962885 0.0954014 0.3416847), wk = 0.0022676 k( 161) = ( 0.0882644 0.0874513 0.3416847), wk = 0.0022676 k( 162) = ( 0.0802404 0.0795012 0.3416847), wk = 0.0022676 k( 163) = ( 0.0722164 0.0715511 0.3416847), wk = 0.0022676 k( 164) = ( 0.0641923 0.0636010 0.3416847), wk = 0.0022676 k( 165) = ( 0.0561683 0.0556508 0.3416847), wk = 0.0022676 k( 166) = ( 0.0481442 0.0477007 0.3416847), wk = 0.0022676 k( 167) = ( 0.0401202 0.0397506 0.3416847), wk = 0.0022676 k( 168) = ( 0.0320962 0.0318005 0.3416847), wk = 0.0022676 k( 169) = ( 0.0240721 0.0238504 0.3416847), wk = 0.0022676 k( 170) = ( 0.0160481 0.0159002 0.3416847), wk = 0.0022676 k( 171) = ( 0.0080240 0.0079501 0.3416847), wk = 0.0022676 k( 172) = ( 0.0000000 0.0000000 0.3416847), wk = 0.0022676 k( 173) = ( 0.0000000 0.0000000 0.3416847), wk = 0.0022676 k( 174) = ( 0.0079365 -0.0080103 0.3416847), wk = 0.0022676 k( 175) = ( 0.0158730 -0.0160206 0.3416847), wk = 0.0022676 k( 176) = ( 0.0238095 -0.0240309 0.3416847), wk = 0.0022676 k( 177) = ( 0.0317460 -0.0320412 0.3416847), wk = 0.0022676 k( 178) = ( 0.0396825 -0.0400515 0.3416847), wk = 0.0022676 k( 179) = ( 0.0476191 -0.0480618 0.3416847), wk = 0.0022676 k( 180) = ( 0.0555556 -0.0560721 0.3416847), wk = 0.0022676 k( 181) = ( 0.0634921 -0.0640824 0.3416847), wk = 0.0022676 k( 182) = ( 0.0714286 -0.0720927 0.3416847), wk = 0.0022676 k( 183) = ( 0.0793651 -0.0801030 0.3416847), wk = 0.0022676 k( 184) = ( 0.0873016 -0.0881133 0.3416847), wk = 0.0022676 k( 185) = ( 0.0952381 -0.0961236 0.3416847), wk = 0.0022676 k( 186) = ( 0.1031746 -0.1041339 0.3416847), wk = 0.0022676 k( 187) = ( 0.1111111 -0.1121442 0.3416847), wk = 0.0022676 k( 188) = ( 0.1190476 -0.1201545 0.3416847), wk = 0.0022676 k( 189) = ( 0.1269841 -0.1281648 0.3416847), wk = 0.0022676 k( 190) = ( 0.1349206 -0.1361751 0.3416847), wk = 0.0022676 k( 191) = ( 0.1428571 -0.1441854 0.3416847), wk = 0.0022676 k( 192) = ( 0.1507937 -0.1521958 0.3416847), wk = 0.0022676 k( 193) = ( 0.1587302 -0.1602061 0.3416847), wk = 0.0022676 k( 194) = ( 0.1666667 -0.1682164 0.3416847), wk = 0.0022676 k( 195) = ( 0.1746032 -0.1762267 0.3416847), wk = 0.0022676 k( 196) = ( 0.1825397 -0.1842370 0.3416847), wk = 0.0022676 k( 197) = ( 0.1904762 -0.1922473 0.3416847), wk = 0.0022676 k( 198) = ( 0.1984127 -0.2002576 0.3416847), wk = 0.0022676 k( 199) = ( 0.2063492 -0.2082679 0.3416847), wk = 0.0022676 k( 200) = ( 0.2142857 -0.2162782 0.3416847), wk = 0.0022676 k( 201) = ( 0.2222222 -0.2242885 0.3416847), wk = 0.0022676 k( 202) = ( 0.2301587 -0.2322988 0.3416847), wk = 0.0022676 k( 203) = ( 0.2380952 -0.2403091 0.3416847), wk = 0.0022676 k( 204) = ( 0.2460317 -0.2483194 0.3416847), wk = 0.0022676 k( 205) = ( 0.2539683 -0.2563297 0.3416847), wk = 0.0022676 k( 206) = ( 0.2619048 -0.2643400 0.3416847), wk = 0.0022676 k( 207) = ( 0.2698413 -0.2723503 0.3416847), wk = 0.0022676 k( 208) = ( 0.2777778 -0.2803606 0.3416847), wk = 0.0022676 k( 209) = ( 0.2857143 -0.2883709 0.3416847), wk = 0.0022676 k( 210) = ( 0.2936508 -0.2963812 0.3416847), wk = 0.0022676 k( 211) = ( 0.3015873 -0.3043915 0.3416847), wk = 0.0022676 k( 212) = ( 0.3095238 -0.3124018 0.3416847), wk = 0.0022676 k( 213) = ( 0.3174603 -0.3204121 0.3416847), wk = 0.0022676 k( 214) = ( 0.3253968 -0.3284224 0.3416847), wk = 0.0022676 k( 215) = ( 0.3333333 -0.3364327 0.3416847), wk = 0.0022676 k( 216) = ( 0.3412698 -0.3444430 0.3416847), wk = 0.0022676 k( 217) = ( 0.3492063 -0.3524533 0.3416847), wk = 0.0022676 k( 218) = ( 0.3571429 -0.3604636 0.3416847), wk = 0.0022676 k( 219) = ( 0.3650794 -0.3684739 0.3416847), wk = 0.0022676 k( 220) = ( 0.3730159 -0.3764842 0.3416847), wk = 0.0022676 k( 221) = ( 0.3809524 -0.3844945 0.3416847), wk = 0.0022676 k( 222) = ( 0.3888889 -0.3925048 0.3416847), wk = 0.0022676 k( 223) = ( 0.3968254 -0.4005151 0.3416847), wk = 0.0022676 k( 224) = ( 0.4047619 -0.4085254 0.3416847), wk = 0.0022676 k( 225) = ( 0.4126984 -0.4165357 0.3416847), wk = 0.0022676 k( 226) = ( 0.4206349 -0.4245460 0.3416847), wk = 0.0022676 k( 227) = ( 0.4285714 -0.4325563 0.3416847), wk = 0.0022676 k( 228) = ( 0.4365079 -0.4405667 0.3416847), wk = 0.0022676 k( 229) = ( 0.4444444 -0.4485769 0.3416847), wk = 0.0022676 k( 230) = ( 0.4523810 -0.4565873 0.3416847), wk = 0.0022676 k( 231) = ( 0.4603175 -0.4645976 0.3416847), wk = 0.0022676 k( 232) = ( 0.4682540 -0.4726079 0.3416847), wk = 0.0022676 k( 233) = ( 0.4761905 -0.4806182 0.3416847), wk = 0.0022676 k( 234) = ( 0.4841270 -0.4886285 0.3416847), wk = 0.0022676 k( 235) = ( 0.4920635 -0.4966388 0.3416847), wk = 0.0022676 k( 236) = ( 0.5000000 -0.5046491 0.3416847), wk = 0.0022676 k( 237) = ( 0.5000000 -0.5046491 0.3416847), wk = 0.0022676 k( 238) = ( 0.4925006 -0.5120794 0.3416847), wk = 0.0022676 k( 239) = ( 0.4850012 -0.5195097 0.3416847), wk = 0.0022676 k( 240) = ( 0.4775018 -0.5269400 0.3416847), wk = 0.0022676 k( 241) = ( 0.4700025 -0.5343703 0.3416847), wk = 0.0022676 k( 242) = ( 0.4625031 -0.5418006 0.3416847), wk = 0.0022676 k( 243) = ( 0.4550037 -0.5492309 0.3416847), wk = 0.0022676 k( 244) = ( 0.4475043 -0.5566612 0.3416847), wk = 0.0022676 k( 245) = ( 0.4400049 -0.5640915 0.3416847), wk = 0.0022676 k( 246) = ( 0.5506537 -0.4544620 0.0843463), wk = 0.0022676 k( 247) = ( 0.5480192 -0.4570722 0.0742028), wk = 0.0022676 k( 248) = ( 0.5453847 -0.4596824 0.0640592), wk = 0.0022676 k( 249) = ( 0.5427502 -0.4622927 0.0539156), wk = 0.0022676 k( 250) = ( 0.5401157 -0.4649029 0.0437720), wk = 0.0022676 k( 251) = ( 0.5374812 -0.4675131 0.0336284), wk = 0.0022676 k( 252) = ( 0.5348468 -0.4701233 0.0234848), wk = 0.0022676 k( 253) = ( 0.5322123 -0.4727336 0.0133412), wk = 0.0022676 k( 254) = ( 0.5295778 -0.4753438 0.0031976), wk = 0.0022676 k( 255) = ( 0.5269433 -0.4779540 -0.0069460), wk = 0.0022676 k( 256) = ( 0.5243088 -0.4805643 -0.0170896), wk = 0.0022676 k( 257) = ( 0.5216743 -0.4831745 -0.0272332), wk = 0.0022676 k( 258) = ( 0.5190398 -0.4857847 -0.0373768), wk = 0.0022676 k( 259) = ( 0.5164053 -0.4883949 -0.0475204), wk = 0.0022676 k( 260) = ( 0.5137708 -0.4910052 -0.0576640), wk = 0.0022676 k( 261) = ( 0.5111363 -0.4936154 -0.0678076), wk = 0.0022676 k( 262) = ( 0.5085018 -0.4962256 -0.0779512), wk = 0.0022676 k( 263) = ( 0.5058673 -0.4988358 -0.0880948), wk = 0.0022676 k( 264) = ( 0.5032328 -0.5014461 -0.0982384), wk = 0.0022676 k( 265) = ( 0.5005983 -0.5040563 -0.1083820), wk = 0.0022676 k( 266) = ( 0.4979638 -0.5066665 -0.1185256), wk = 0.0022676 k( 267) = ( 0.4953293 -0.5092767 -0.1286692), wk = 0.0022676 k( 268) = ( 0.4953293 -0.5092767 -0.1286692), wk = 0.0022676 k( 269) = ( 0.4957185 -0.5088911 -0.1179468), wk = 0.0022676 k( 270) = ( 0.4961078 -0.5085055 -0.1072243), wk = 0.0022676 k( 271) = ( 0.4964970 -0.5081198 -0.0965019), wk = 0.0022676 k( 272) = ( 0.4968862 -0.5077342 -0.0857795), wk = 0.0022676 k( 273) = ( 0.4972754 -0.5073485 -0.0750570), wk = 0.0022676 k( 274) = ( 0.4976647 -0.5069629 -0.0643346), wk = 0.0022676 k( 275) = ( 0.4980539 -0.5065773 -0.0536122), wk = 0.0022676 k( 276) = ( 0.4984431 -0.5061916 -0.0428897), wk = 0.0022676 k( 277) = ( 0.4988323 -0.5058060 -0.0321673), wk = 0.0022676 k( 278) = ( 0.4992216 -0.5054203 -0.0214449), wk = 0.0022676 k( 279) = ( 0.4996108 -0.5050347 -0.0107224), wk = 0.0022676 k( 280) = ( 0.5000000 -0.5046491 0.0000000), wk = 0.0022676 k( 281) = ( 0.5000000 -0.5046491 0.0000000), wk = 0.0022676 k( 282) = ( 0.4920635 -0.4966388 -0.0000000), wk = 0.0022676 k( 283) = ( 0.4841270 -0.4886285 -0.0000000), wk = 0.0022676 k( 284) = ( 0.4761905 -0.4806182 -0.0000000), wk = 0.0022676 k( 285) = ( 0.4682540 -0.4726079 -0.0000000), wk = 0.0022676 k( 286) = ( 0.4603175 -0.4645976 -0.0000000), wk = 0.0022676 k( 287) = ( 0.4523810 -0.4565873 -0.0000000), wk = 0.0022676 k( 288) = ( 0.4444444 -0.4485769 -0.0000000), wk = 0.0022676 k( 289) = ( 0.4365079 -0.4405667 -0.0000000), wk = 0.0022676 k( 290) = ( 0.4285714 -0.4325563 -0.0000000), wk = 0.0022676 k( 291) = ( 0.4206349 -0.4245460 -0.0000000), wk = 0.0022676 k( 292) = ( 0.4126984 -0.4165357 0.0000000), wk = 0.0022676 k( 293) = ( 0.4047619 -0.4085254 0.0000000), wk = 0.0022676 k( 294) = ( 0.3968254 -0.4005151 0.0000000), wk = 0.0022676 k( 295) = ( 0.3888889 -0.3925048 0.0000000), wk = 0.0022676 k( 296) = ( 0.3809524 -0.3844945 0.0000000), wk = 0.0022676 k( 297) = ( 0.3730159 -0.3764842 0.0000000), wk = 0.0022676 k( 298) = ( 0.3650794 -0.3684739 0.0000000), wk = 0.0022676 k( 299) = ( 0.3571429 -0.3604636 0.0000000), wk = 0.0022676 k( 300) = ( 0.3492063 -0.3524533 0.0000000), wk = 0.0022676 k( 301) = ( 0.3412698 -0.3444430 0.0000000), wk = 0.0022676 k( 302) = ( 0.3333333 -0.3364327 0.0000000), wk = 0.0022676 k( 303) = ( 0.3253968 -0.3284224 -0.0000000), wk = 0.0022676 k( 304) = ( 0.3174603 -0.3204121 -0.0000000), wk = 0.0022676 k( 305) = ( 0.3095238 -0.3124018 -0.0000000), wk = 0.0022676 k( 306) = ( 0.3015873 -0.3043915 -0.0000000), wk = 0.0022676 k( 307) = ( 0.2936508 -0.2963812 -0.0000000), wk = 0.0022676 k( 308) = ( 0.2857143 -0.2883709 -0.0000000), wk = 0.0022676 k( 309) = ( 0.2777778 -0.2803606 -0.0000000), wk = 0.0022676 k( 310) = ( 0.2698413 -0.2723503 -0.0000000), wk = 0.0022676 k( 311) = ( 0.2619048 -0.2643400 -0.0000000), wk = 0.0022676 k( 312) = ( 0.2539683 -0.2563297 -0.0000000), wk = 0.0022676 k( 313) = ( 0.2460317 -0.2483194 0.0000000), wk = 0.0022676 k( 314) = ( 0.2380952 -0.2403091 -0.0000000), wk = 0.0022676 k( 315) = ( 0.2301587 -0.2322988 -0.0000000), wk = 0.0022676 k( 316) = ( 0.2222222 -0.2242885 -0.0000000), wk = 0.0022676 k( 317) = ( 0.2142857 -0.2162782 -0.0000000), wk = 0.0022676 k( 318) = ( 0.2063492 -0.2082679 0.0000000), wk = 0.0022676 k( 319) = ( 0.1984127 -0.2002576 0.0000000), wk = 0.0022676 k( 320) = ( 0.1904762 -0.1922473 0.0000000), wk = 0.0022676 k( 321) = ( 0.1825397 -0.1842370 0.0000000), wk = 0.0022676 k( 322) = ( 0.1746032 -0.1762267 0.0000000), wk = 0.0022676 k( 323) = ( 0.1666667 -0.1682164 -0.0000000), wk = 0.0022676 k( 324) = ( 0.1587302 -0.1602061 -0.0000000), wk = 0.0022676 k( 325) = ( 0.1507937 -0.1521958 -0.0000000), wk = 0.0022676 k( 326) = ( 0.1428571 -0.1441854 -0.0000000), wk = 0.0022676 k( 327) = ( 0.1349206 -0.1361751 -0.0000000), wk = 0.0022676 k( 328) = ( 0.1269841 -0.1281648 -0.0000000), wk = 0.0022676 k( 329) = ( 0.1190476 -0.1201545 -0.0000000), wk = 0.0022676 k( 330) = ( 0.1111111 -0.1121442 -0.0000000), wk = 0.0022676 k( 331) = ( 0.1031746 -0.1041339 0.0000000), wk = 0.0022676 k( 332) = ( 0.0952381 -0.0961236 0.0000000), wk = 0.0022676 k( 333) = ( 0.0873016 -0.0881133 0.0000000), wk = 0.0022676 k( 334) = ( 0.0793651 -0.0801030 -0.0000000), wk = 0.0022676 k( 335) = ( 0.0714286 -0.0720927 -0.0000000), wk = 0.0022676 k( 336) = ( 0.0634921 -0.0640824 -0.0000000), wk = 0.0022676 k( 337) = ( 0.0555556 -0.0560721 -0.0000000), wk = 0.0022676 k( 338) = ( 0.0476191 -0.0480618 0.0000000), wk = 0.0022676 k( 339) = ( 0.0396825 -0.0400515 -0.0000000), wk = 0.0022676 k( 340) = ( 0.0317460 -0.0320412 -0.0000000), wk = 0.0022676 k( 341) = ( 0.0238095 -0.0240309 0.0000000), wk = 0.0022676 k( 342) = ( 0.0158730 -0.0160206 0.0000000), wk = 0.0022676 k( 343) = ( 0.0079365 -0.0080103 0.0000000), wk = 0.0022676 k( 344) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 345) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 346) = ( 0.0108696 -0.0001006 -0.0027972), wk = 0.0022676 k( 347) = ( 0.0217391 -0.0002012 -0.0055943), wk = 0.0022676 k( 348) = ( 0.0326087 -0.0003018 -0.0083915), wk = 0.0022676 k( 349) = ( 0.0434783 -0.0004024 -0.0111886), wk = 0.0022676 k( 350) = ( 0.0543478 -0.0005030 -0.0139858), wk = 0.0022676 k( 351) = ( 0.0652174 -0.0006036 -0.0167829), wk = 0.0022676 k( 352) = ( 0.0760870 -0.0007042 -0.0195801), wk = 0.0022676 k( 353) = ( 0.0869565 -0.0008048 -0.0223773), wk = 0.0022676 k( 354) = ( 0.0978261 -0.0009054 -0.0251744), wk = 0.0022676 k( 355) = ( 0.1086957 -0.0010060 -0.0279716), wk = 0.0022676 k( 356) = ( 0.1195652 -0.0011066 -0.0307687), wk = 0.0022676 k( 357) = ( 0.1304348 -0.0012072 -0.0335659), wk = 0.0022676 k( 358) = ( 0.1413043 -0.0013078 -0.0363630), wk = 0.0022676 k( 359) = ( 0.1521739 -0.0014084 -0.0391602), wk = 0.0022676 k( 360) = ( 0.1630435 -0.0015090 -0.0419573), wk = 0.0022676 k( 361) = ( 0.1739130 -0.0016096 -0.0447545), wk = 0.0022676 k( 362) = ( 0.1847826 -0.0017102 -0.0475517), wk = 0.0022676 k( 363) = ( 0.1956522 -0.0018108 -0.0503488), wk = 0.0022676 k( 364) = ( 0.2065217 -0.0019114 -0.0531460), wk = 0.0022676 k( 365) = ( 0.2173913 -0.0020120 -0.0559431), wk = 0.0022676 k( 366) = ( 0.2282609 -0.0021126 -0.0587403), wk = 0.0022676 k( 367) = ( 0.2391304 -0.0022132 -0.0615374), wk = 0.0022676 k( 368) = ( 0.2500000 -0.0023138 -0.0643346), wk = 0.0022676 k( 369) = ( 0.2608696 -0.0024144 -0.0671318), wk = 0.0022676 k( 370) = ( 0.2717391 -0.0025150 -0.0699289), wk = 0.0022676 k( 371) = ( 0.2826087 -0.0026156 -0.0727261), wk = 0.0022676 k( 372) = ( 0.2934783 -0.0027162 -0.0755232), wk = 0.0022676 k( 373) = ( 0.3043478 -0.0028168 -0.0783204), wk = 0.0022676 k( 374) = ( 0.3152174 -0.0029174 -0.0811175), wk = 0.0022676 k( 375) = ( 0.3260870 -0.0030180 -0.0839147), wk = 0.0022676 k( 376) = ( 0.3369565 -0.0031186 -0.0867118), wk = 0.0022676 k( 377) = ( 0.3478261 -0.0032192 -0.0895090), wk = 0.0022676 k( 378) = ( 0.3586956 -0.0033198 -0.0923062), wk = 0.0022676 k( 379) = ( 0.3695652 -0.0034204 -0.0951033), wk = 0.0022676 k( 380) = ( 0.3804348 -0.0035210 -0.0979005), wk = 0.0022676 k( 381) = ( 0.3913044 -0.0036216 -0.1006976), wk = 0.0022676 k( 382) = ( 0.4021739 -0.0037222 -0.1034948), wk = 0.0022676 k( 383) = ( 0.4130435 -0.0038228 -0.1062919), wk = 0.0022676 k( 384) = ( 0.4239130 -0.0039234 -0.1090891), wk = 0.0022676 k( 385) = ( 0.4347826 -0.0040240 -0.1118863), wk = 0.0022676 k( 386) = ( 0.4456522 -0.0041246 -0.1146834), wk = 0.0022676 k( 387) = ( 0.4565217 -0.0042253 -0.1174806), wk = 0.0022676 k( 388) = ( 0.4673913 -0.0043259 -0.1202777), wk = 0.0022676 k( 389) = ( 0.4782609 -0.0044265 -0.1230749), wk = 0.0022676 k( 390) = ( 0.4891304 -0.0045271 -0.1258720), wk = 0.0022676 k( 391) = ( 0.5000000 -0.0046277 -0.1286692), wk = 0.0022676 k( 392) = ( 0.5000000 -0.0046277 0.2130155), wk = 0.0022676 k( 393) = ( 0.4897959 -0.0045332 0.2086683), wk = 0.0022676 k( 394) = ( 0.4795918 -0.0044388 0.2043210), wk = 0.0022676 k( 395) = ( 0.4693878 -0.0043443 0.1999738), wk = 0.0022676 k( 396) = ( 0.4591837 -0.0042499 0.1956265), wk = 0.0022676 k( 397) = ( 0.4489796 -0.0041554 0.1912793), wk = 0.0022676 k( 398) = ( 0.4387755 -0.0040610 0.1869320), wk = 0.0022676 k( 399) = ( 0.4285714 -0.0039666 0.1825847), wk = 0.0022676 k( 400) = ( 0.4183674 -0.0038721 0.1782375), wk = 0.0022676 k( 401) = ( 0.4081633 -0.0037777 0.1738902), wk = 0.0022676 k( 402) = ( 0.3979592 -0.0036832 0.1695430), wk = 0.0022676 k( 403) = ( 0.3877551 -0.0035888 0.1651957), wk = 0.0022676 k( 404) = ( 0.3775510 -0.0034944 0.1608485), wk = 0.0022676 k( 405) = ( 0.3673469 -0.0033999 0.1565012), wk = 0.0022676 k( 406) = ( 0.3571429 -0.0033055 0.1521540), wk = 0.0022676 k( 407) = ( 0.3469388 -0.0032110 0.1478067), wk = 0.0022676 k( 408) = ( 0.3367347 -0.0031166 0.1434594), wk = 0.0022676 k( 409) = ( 0.3265306 -0.0030221 0.1391122), wk = 0.0022676 k( 410) = ( 0.3163265 -0.0029277 0.1347649), wk = 0.0022676 k( 411) = ( 0.3061224 -0.0028333 0.1304177), wk = 0.0022676 k( 412) = ( 0.2959184 -0.0027388 0.1260704), wk = 0.0022676 k( 413) = ( 0.2857143 -0.0026444 0.1217232), wk = 0.0022676 k( 414) = ( 0.2755102 -0.0025499 0.1173759), wk = 0.0022676 k( 415) = ( 0.2653061 -0.0024555 0.1130287), wk = 0.0022676 k( 416) = ( 0.2551020 -0.0023610 0.1086814), wk = 0.0022676 k( 417) = ( 0.2448980 -0.0022666 0.1043341), wk = 0.0022676 k( 418) = ( 0.2346939 -0.0021722 0.0999869), wk = 0.0022676 k( 419) = ( 0.2244898 -0.0020777 0.0956396), wk = 0.0022676 k( 420) = ( 0.2142857 -0.0019833 0.0912924), wk = 0.0022676 k( 421) = ( 0.2040816 -0.0018888 0.0869451), wk = 0.0022676 k( 422) = ( 0.1938776 -0.0017944 0.0825979), wk = 0.0022676 k( 423) = ( 0.1836735 -0.0017000 0.0782506), wk = 0.0022676 k( 424) = ( 0.1734694 -0.0016055 0.0739034), wk = 0.0022676 k( 425) = ( 0.1632653 -0.0015111 0.0695561), wk = 0.0022676 k( 426) = ( 0.1530612 -0.0014166 0.0652088), wk = 0.0022676 k( 427) = ( 0.1428571 -0.0013222 0.0608616), wk = 0.0022676 k( 428) = ( 0.1326531 -0.0012277 0.0565143), wk = 0.0022676 k( 429) = ( 0.1224490 -0.0011333 0.0521671), wk = 0.0022676 k( 430) = ( 0.1122449 -0.0010389 0.0478198), wk = 0.0022676 k( 431) = ( 0.1020408 -0.0009444 0.0434726), wk = 0.0022676 k( 432) = ( 0.0918367 -0.0008500 0.0391253), wk = 0.0022676 k( 433) = ( 0.0816327 -0.0007555 0.0347780), wk = 0.0022676 k( 434) = ( 0.0714286 -0.0006611 0.0304308), wk = 0.0022676 k( 435) = ( 0.0612245 -0.0005667 0.0260835), wk = 0.0022676 k( 436) = ( 0.0510204 -0.0004722 0.0217363), wk = 0.0022676 k( 437) = ( 0.0408163 -0.0003778 0.0173890), wk = 0.0022676 k( 438) = ( 0.0306122 -0.0002833 0.0130418), wk = 0.0022676 k( 439) = ( 0.0204082 -0.0001889 0.0086945), wk = 0.0022676 k( 440) = ( 0.0102041 -0.0000944 0.0043473), wk = 0.0022676 k( 441) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0078855 0.0078855 0.0029969), wk = 0.0022676 k( 3) = ( 0.0157710 0.0157710 0.0059939), wk = 0.0022676 k( 4) = ( 0.0236564 0.0236564 0.0089908), wk = 0.0022676 k( 5) = ( 0.0315419 0.0315419 0.0119878), wk = 0.0022676 k( 6) = ( 0.0394274 0.0394274 0.0149847), wk = 0.0022676 k( 7) = ( 0.0473129 0.0473129 0.0179816), wk = 0.0022676 k( 8) = ( 0.0551984 0.0551984 0.0209786), wk = 0.0022676 k( 9) = ( 0.0630838 0.0630838 0.0239755), wk = 0.0022676 k( 10) = ( 0.0709693 0.0709693 0.0269725), wk = 0.0022676 k( 11) = ( 0.0788548 0.0788548 0.0299694), wk = 0.0022676 k( 12) = ( 0.0867403 0.0867403 0.0329663), wk = 0.0022676 k( 13) = ( 0.0946257 0.0946258 0.0359633), wk = 0.0022676 k( 14) = ( 0.1025112 0.1025112 0.0389602), wk = 0.0022676 k( 15) = ( 0.1103967 0.1103967 0.0419572), wk = 0.0022676 k( 16) = ( 0.1182822 0.1182822 0.0449541), wk = 0.0022676 k( 17) = ( 0.1261677 0.1261677 0.0479510), wk = 0.0022676 k( 18) = ( 0.1340532 0.1340532 0.0509480), wk = 0.0022676 k( 19) = ( 0.1419386 0.1419386 0.0539449), wk = 0.0022676 k( 20) = ( 0.1498241 0.1498241 0.0569419), wk = 0.0022676 k( 21) = ( 0.1577096 0.1577096 0.0599388), wk = 0.0022676 k( 22) = ( 0.1655951 0.1655951 0.0629357), wk = 0.0022676 k( 23) = ( 0.1734806 0.1734806 0.0659327), wk = 0.0022676 k( 24) = ( 0.1813660 0.1813660 0.0689296), wk = 0.0022676 k( 25) = ( 0.1892515 0.1892515 0.0719266), wk = 0.0022676 k( 26) = ( 0.1971370 0.1971370 0.0749235), wk = 0.0022676 k( 27) = ( 0.2050225 0.2050225 0.0779204), wk = 0.0022676 k( 28) = ( 0.2129079 0.2129079 0.0809174), wk = 0.0022676 k( 29) = ( 0.2207934 0.2207934 0.0839143), wk = 0.0022676 k( 30) = ( 0.2286789 0.2286789 0.0869113), wk = 0.0022676 k( 31) = ( 0.2365644 0.2365644 0.0899082), wk = 0.0022676 k( 32) = ( 0.2444499 0.2444499 0.0929051), wk = 0.0022676 k( 33) = ( 0.2523353 0.2523353 0.0959021), wk = 0.0022676 k( 34) = ( 0.2602208 0.2602208 0.0988990), wk = 0.0022676 k( 35) = ( 0.2681063 0.2681063 0.1018959), wk = 0.0022676 k( 36) = ( 0.2759918 0.2759918 0.1048929), wk = 0.0022676 k( 37) = ( 0.2838773 0.2838773 0.1078898), wk = 0.0022676 k( 38) = ( 0.2917627 0.2917627 0.1108868), wk = 0.0022676 k( 39) = ( 0.2996482 0.2996482 0.1138837), wk = 0.0022676 k( 40) = ( 0.3075337 0.3075337 0.1168806), wk = 0.0022676 k( 41) = ( 0.3154192 0.3154192 0.1198776), wk = 0.0022676 k( 42) = ( 0.3233047 0.3233047 0.1228745), wk = 0.0022676 k( 43) = ( 0.3311901 0.3311901 0.1258715), wk = 0.0022676 k( 44) = ( 0.3390756 0.3390756 0.1288684), wk = 0.0022676 k( 45) = ( 0.3469611 0.3469611 0.1318653), wk = 0.0022676 k( 46) = ( 0.3548466 0.3548466 0.1348623), wk = 0.0022676 k( 47) = ( 0.3627320 0.3627320 0.1378592), wk = 0.0022676 k( 48) = ( 0.3706175 0.3706175 0.1408562), wk = 0.0022676 k( 49) = ( 0.3785030 0.3785030 0.1438531), wk = 0.0022676 k( 50) = ( 0.3863885 0.3863885 0.1468500), wk = 0.0022676 k( 51) = ( 0.3942740 0.3942740 0.1498470), wk = 0.0022676 k( 52) = ( 0.4021594 0.4021595 0.1528439), wk = 0.0022676 k( 53) = ( 0.4100449 0.4100449 0.1558409), wk = 0.0022676 k( 54) = ( 0.4179304 0.4179304 0.1588378), wk = 0.0022676 k( 55) = ( 0.4258159 0.4258159 0.1618347), wk = 0.0022676 k( 56) = ( 0.4337014 0.4337014 0.1648317), wk = 0.0022676 k( 57) = ( 0.4415868 0.4415868 0.1678286), wk = 0.0022676 k( 58) = ( 0.4494723 0.4494723 0.1708256), wk = 0.0022676 k( 59) = ( 0.4573578 0.4573578 0.1738225), wk = 0.0022676 k( 60) = ( 0.4652433 0.4652433 0.1768194), wk = 0.0022676 k( 61) = ( 0.4731288 0.4731288 0.1798164), wk = 0.0022676 k( 62) = ( 0.4810142 0.4810143 0.1828133), wk = 0.0022676 k( 63) = ( 0.4888997 0.4888997 0.1858103), wk = 0.0022676 k( 64) = ( 0.4967852 0.4967852 0.1888072), wk = 0.0022676 k( 65) = ( 0.5046707 0.5046707 0.1918041), wk = 0.0022676 k( 66) = ( 0.5046707 0.5046707 0.1918041), wk = 0.0022676 k( 67) = ( 0.5073052 0.5073052 0.2086318), wk = 0.0022676 k( 68) = ( 0.5099397 0.5099397 0.2254595), wk = 0.0022676 k( 69) = ( 0.5125742 0.5125742 0.2422871), wk = 0.0022676 k( 70) = ( 0.5152087 0.5152087 0.2591148), wk = 0.0022676 k( 71) = ( 0.5178432 0.5178432 0.2759424), wk = 0.0022676 k( 72) = ( 0.5204777 0.5204777 0.2927701), wk = 0.0022676 k( 73) = ( 0.5231121 0.5231121 0.3095978), wk = 0.0022676 k( 74) = ( 0.5257466 0.5257467 0.3264254), wk = 0.0022676 k( 75) = ( 0.5283811 0.5283811 0.3432531), wk = 0.0022676 k( 76) = ( 0.5310156 0.5310156 0.3600808), wk = 0.0022676 k( 77) = ( 0.5336501 0.5336501 0.3769084), wk = 0.0022676 k( 78) = ( 0.5362846 0.5362846 0.3937361), wk = 0.0022676 k( 79) = ( 0.5389191 0.5389191 0.4105637), wk = 0.0022676 k( 80) = ( 0.5415536 0.5415536 0.4273914), wk = 0.0022676 k( 81) = ( 0.5441881 0.5441881 0.4442191), wk = 0.0022676 k( 82) = ( 0.5468226 0.5468226 0.4610467), wk = 0.0022676 k( 83) = ( 0.5494571 0.5494571 0.4778744), wk = 0.0022676 k( 84) = ( 0.5520916 0.5520916 0.4947021), wk = 0.0022676 k( 85) = ( 0.5547261 0.5547261 0.5115297), wk = 0.0022676 k( 86) = ( 0.5573606 0.5573606 0.5283574), wk = 0.0022676 k( 87) = ( 0.5599951 0.5599951 0.5451850), wk = 0.0022676 k( 88) = ( 0.5599951 0.5599951 0.5451850), wk = 0.0022676 k( 89) = ( 0.5558970 0.5558970 0.5560457), wk = 0.0022676 k( 90) = ( 0.5517989 0.5517989 0.5669064), wk = 0.0022676 k( 91) = ( 0.5477008 0.5477008 0.5777671), wk = 0.0022676 k( 92) = ( 0.5436027 0.5436027 0.5886277), wk = 0.0022676 k( 93) = ( 0.5395046 0.5395046 0.5994884), wk = 0.0022676 k( 94) = ( 0.5354065 0.5354065 0.6103491), wk = 0.0022676 k( 95) = ( 0.5313084 0.5313084 0.6212098), wk = 0.0022676 k( 96) = ( 0.5272103 0.5272103 0.6320704), wk = 0.0022676 k( 97) = ( 0.5231121 0.5231121 0.6429311), wk = 0.0022676 k( 98) = ( 0.5190141 0.5190141 0.6537918), wk = 0.0022676 k( 99) = ( 0.5149159 0.5149159 0.6646525), wk = 0.0022676 k( 100) = ( 0.5108178 0.5108178 0.6755131), wk = 0.0022676 k( 101) = ( 0.5067197 0.5067197 0.6863738), wk = 0.0022676 k( 102) = ( 0.5026216 0.5026216 0.6972345), wk = 0.0022676 k( 103) = ( 0.4985235 0.4985235 0.7080951), wk = 0.0022676 k( 104) = ( 0.4944254 0.4944254 0.7189558), wk = 0.0022676 k( 105) = ( 0.4903273 0.4903273 0.7298165), wk = 0.0022676 k( 106) = ( 0.4862292 0.4862292 0.7406772), wk = 0.0022676 k( 107) = ( 0.4821311 0.4821311 0.7515378), wk = 0.0022676 k( 108) = ( 0.4780330 0.4780330 0.7623985), wk = 0.0022676 k( 109) = ( 0.4739349 0.4739349 0.7732592), wk = 0.0022676 k( 110) = ( 0.4698368 0.4698368 0.7841199), wk = 0.0022676 k( 111) = ( 0.4657387 0.4657387 0.7949805), wk = 0.0022676 k( 112) = ( 0.4616406 0.4616406 0.8058412), wk = 0.0022676 k( 113) = ( 0.4575425 0.4575425 0.8167019), wk = 0.0022676 k( 114) = ( 0.4534444 0.4534444 0.8275625), wk = 0.0022676 k( 115) = ( 0.4493463 0.4493463 0.8384232), wk = 0.0022676 k( 116) = ( 0.4493463 0.4493463 0.8384232), wk = 0.0022676 k( 117) = ( 0.4413222 0.4413222 0.8323799), wk = 0.0022676 k( 118) = ( 0.4332982 0.4332982 0.8263367), wk = 0.0022676 k( 119) = ( 0.4252742 0.4252742 0.8202934), wk = 0.0022676 k( 120) = ( 0.4172501 0.4172501 0.8142501), wk = 0.0022676 k( 121) = ( 0.4092261 0.4092261 0.8082069), wk = 0.0022676 k( 122) = ( 0.4012020 0.4012020 0.8021636), wk = 0.0022676 k( 123) = ( 0.3931780 0.3931780 0.7961203), wk = 0.0022676 k( 124) = ( 0.3851540 0.3851540 0.7900770), wk = 0.0022676 k( 125) = ( 0.3771299 0.3771299 0.7840338), wk = 0.0022676 k( 126) = ( 0.3691059 0.3691059 0.7779905), wk = 0.0022676 k( 127) = ( 0.3610818 0.3610818 0.7719472), wk = 0.0022676 k( 128) = ( 0.3530578 0.3530578 0.7659040), wk = 0.0022676 k( 129) = ( 0.3450337 0.3450337 0.7598607), wk = 0.0022676 k( 130) = ( 0.3370097 0.3370097 0.7538174), wk = 0.0022676 k( 131) = ( 0.3289857 0.3289857 0.7477741), wk = 0.0022676 k( 132) = ( 0.3209616 0.3209616 0.7417309), wk = 0.0022676 k( 133) = ( 0.3129376 0.3129376 0.7356876), wk = 0.0022676 k( 134) = ( 0.3049135 0.3049135 0.7296443), wk = 0.0022676 k( 135) = ( 0.2968895 0.2968895 0.7236011), wk = 0.0022676 k( 136) = ( 0.2888655 0.2888655 0.7175578), wk = 0.0022676 k( 137) = ( 0.2808414 0.2808414 0.7115145), wk = 0.0022676 k( 138) = ( 0.2728174 0.2728174 0.7054712), wk = 0.0022676 k( 139) = ( 0.2647933 0.2647933 0.6994280), wk = 0.0022676 k( 140) = ( 0.2567693 0.2567693 0.6933847), wk = 0.0022676 k( 141) = ( 0.2487453 0.2487453 0.6873414), wk = 0.0022676 k( 142) = ( 0.2407212 0.2407212 0.6812982), wk = 0.0022676 k( 143) = ( 0.2326972 0.2326972 0.6752549), wk = 0.0022676 k( 144) = ( 0.2246731 0.2246731 0.6692116), wk = 0.0022676 k( 145) = ( 0.2166491 0.2166491 0.6631683), wk = 0.0022676 k( 146) = ( 0.2086251 0.2086251 0.6571251), wk = 0.0022676 k( 147) = ( 0.2006010 0.2006010 0.6510818), wk = 0.0022676 k( 148) = ( 0.1925770 0.1925770 0.6450385), wk = 0.0022676 k( 149) = ( 0.1845529 0.1845529 0.6389953), wk = 0.0022676 k( 150) = ( 0.1765289 0.1765289 0.6329520), wk = 0.0022676 k( 151) = ( 0.1685049 0.1685049 0.6269087), wk = 0.0022676 k( 152) = ( 0.1604808 0.1604808 0.6208654), wk = 0.0022676 k( 153) = ( 0.1524568 0.1524568 0.6148222), wk = 0.0022676 k( 154) = ( 0.1444327 0.1444327 0.6087789), wk = 0.0022676 k( 155) = ( 0.1364087 0.1364087 0.6027356), wk = 0.0022676 k( 156) = ( 0.1283846 0.1283846 0.5966923), wk = 0.0022676 k( 157) = ( 0.1203606 0.1203606 0.5906491), wk = 0.0022676 k( 158) = ( 0.1123366 0.1123366 0.5846058), wk = 0.0022676 k( 159) = ( 0.1043125 0.1043125 0.5785625), wk = 0.0022676 k( 160) = ( 0.0962885 0.0962885 0.5725193), wk = 0.0022676 k( 161) = ( 0.0882644 0.0882644 0.5664760), wk = 0.0022676 k( 162) = ( 0.0802404 0.0802404 0.5604327), wk = 0.0022676 k( 163) = ( 0.0722164 0.0722164 0.5543894), wk = 0.0022676 k( 164) = ( 0.0641923 0.0641923 0.5483462), wk = 0.0022676 k( 165) = ( 0.0561683 0.0561683 0.5423029), wk = 0.0022676 k( 166) = ( 0.0481442 0.0481442 0.5362596), wk = 0.0022676 k( 167) = ( 0.0401202 0.0401202 0.5302164), wk = 0.0022676 k( 168) = ( 0.0320962 0.0320962 0.5241731), wk = 0.0022676 k( 169) = ( 0.0240721 0.0240721 0.5181298), wk = 0.0022676 k( 170) = ( 0.0160481 0.0160481 0.5120865), wk = 0.0022676 k( 171) = ( 0.0080240 0.0080240 0.5060433), wk = 0.0022676 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 174) = ( 0.0079365 -0.0079365 0.5000000), wk = 0.0022676 k( 175) = ( 0.0158730 -0.0158730 0.5000000), wk = 0.0022676 k( 176) = ( 0.0238095 -0.0238095 0.5000000), wk = 0.0022676 k( 177) = ( 0.0317460 -0.0317460 0.5000000), wk = 0.0022676 k( 178) = ( 0.0396825 -0.0396825 0.5000000), wk = 0.0022676 k( 179) = ( 0.0476191 -0.0476191 0.5000000), wk = 0.0022676 k( 180) = ( 0.0555556 -0.0555556 0.5000000), wk = 0.0022676 k( 181) = ( 0.0634921 -0.0634921 0.5000000), wk = 0.0022676 k( 182) = ( 0.0714286 -0.0714286 0.5000000), wk = 0.0022676 k( 183) = ( 0.0793651 -0.0793651 0.5000000), wk = 0.0022676 k( 184) = ( 0.0873016 -0.0873016 0.5000000), wk = 0.0022676 k( 185) = ( 0.0952381 -0.0952381 0.5000000), wk = 0.0022676 k( 186) = ( 0.1031746 -0.1031746 0.5000000), wk = 0.0022676 k( 187) = ( 0.1111111 -0.1111111 0.5000000), wk = 0.0022676 k( 188) = ( 0.1190476 -0.1190476 0.5000000), wk = 0.0022676 k( 189) = ( 0.1269841 -0.1269841 0.5000000), wk = 0.0022676 k( 190) = ( 0.1349206 -0.1349206 0.5000000), wk = 0.0022676 k( 191) = ( 0.1428571 -0.1428571 0.5000000), wk = 0.0022676 k( 192) = ( 0.1507937 -0.1507937 0.5000000), wk = 0.0022676 k( 193) = ( 0.1587302 -0.1587302 0.5000000), wk = 0.0022676 k( 194) = ( 0.1666667 -0.1666667 0.5000000), wk = 0.0022676 k( 195) = ( 0.1746032 -0.1746032 0.5000000), wk = 0.0022676 k( 196) = ( 0.1825397 -0.1825397 0.5000000), wk = 0.0022676 k( 197) = ( 0.1904762 -0.1904762 0.5000000), wk = 0.0022676 k( 198) = ( 0.1984127 -0.1984127 0.5000000), wk = 0.0022676 k( 199) = ( 0.2063492 -0.2063492 0.5000000), wk = 0.0022676 k( 200) = ( 0.2142857 -0.2142857 0.5000000), wk = 0.0022676 k( 201) = ( 0.2222222 -0.2222222 0.5000000), wk = 0.0022676 k( 202) = ( 0.2301587 -0.2301587 0.5000000), wk = 0.0022676 k( 203) = ( 0.2380952 -0.2380952 0.5000000), wk = 0.0022676 k( 204) = ( 0.2460317 -0.2460318 0.5000000), wk = 0.0022676 k( 205) = ( 0.2539683 -0.2539682 0.5000000), wk = 0.0022676 k( 206) = ( 0.2619048 -0.2619048 0.5000000), wk = 0.0022676 k( 207) = ( 0.2698413 -0.2698413 0.5000000), wk = 0.0022676 k( 208) = ( 0.2777778 -0.2777778 0.5000000), wk = 0.0022676 k( 209) = ( 0.2857143 -0.2857143 0.5000000), wk = 0.0022676 k( 210) = ( 0.2936508 -0.2936508 0.5000000), wk = 0.0022676 k( 211) = ( 0.3015873 -0.3015873 0.5000000), wk = 0.0022676 k( 212) = ( 0.3095238 -0.3095238 0.5000000), wk = 0.0022676 k( 213) = ( 0.3174603 -0.3174603 0.5000000), wk = 0.0022676 k( 214) = ( 0.3253968 -0.3253968 0.5000000), wk = 0.0022676 k( 215) = ( 0.3333333 -0.3333333 0.5000000), wk = 0.0022676 k( 216) = ( 0.3412698 -0.3412698 0.5000000), wk = 0.0022676 k( 217) = ( 0.3492063 -0.3492064 0.5000000), wk = 0.0022676 k( 218) = ( 0.3571429 -0.3571429 0.5000000), wk = 0.0022676 k( 219) = ( 0.3650794 -0.3650794 0.5000000), wk = 0.0022676 k( 220) = ( 0.3730159 -0.3730159 0.5000000), wk = 0.0022676 k( 221) = ( 0.3809524 -0.3809524 0.5000000), wk = 0.0022676 k( 222) = ( 0.3888889 -0.3888889 0.5000000), wk = 0.0022676 k( 223) = ( 0.3968254 -0.3968254 0.5000000), wk = 0.0022676 k( 224) = ( 0.4047619 -0.4047619 0.5000000), wk = 0.0022676 k( 225) = ( 0.4126984 -0.4126984 0.5000000), wk = 0.0022676 k( 226) = ( 0.4206349 -0.4206349 0.5000000), wk = 0.0022676 k( 227) = ( 0.4285714 -0.4285714 0.5000000), wk = 0.0022676 k( 228) = ( 0.4365079 -0.4365079 0.5000000), wk = 0.0022676 k( 229) = ( 0.4444444 -0.4444444 0.5000000), wk = 0.0022676 k( 230) = ( 0.4523810 -0.4523810 0.5000000), wk = 0.0022676 k( 231) = ( 0.4603175 -0.4603175 0.5000000), wk = 0.0022676 k( 232) = ( 0.4682540 -0.4682540 0.5000000), wk = 0.0022676 k( 233) = ( 0.4761905 -0.4761905 0.5000000), wk = 0.0022676 k( 234) = ( 0.4841270 -0.4841270 0.5000000), wk = 0.0022676 k( 235) = ( 0.4920635 -0.4920635 0.5000000), wk = 0.0022676 k( 236) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0022676 k( 237) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0022676 k( 238) = ( 0.4925006 -0.5074994 0.4943519), wk = 0.0022676 k( 239) = ( 0.4850012 -0.5149988 0.4887037), wk = 0.0022676 k( 240) = ( 0.4775018 -0.5224982 0.4830556), wk = 0.0022676 k( 241) = ( 0.4700025 -0.5299975 0.4774075), wk = 0.0022676 k( 242) = ( 0.4625031 -0.5374969 0.4717594), wk = 0.0022676 k( 243) = ( 0.4550037 -0.5449963 0.4661112), wk = 0.0022676 k( 244) = ( 0.4475043 -0.5524957 0.4604631), wk = 0.0022676 k( 245) = ( 0.4400049 -0.5599951 0.4548150), wk = 0.0022676 k( 246) = ( 0.5506537 -0.4493463 0.1615768), wk = 0.0022676 k( 247) = ( 0.5480192 -0.4519808 0.1447491), wk = 0.0022676 k( 248) = ( 0.5453847 -0.4546153 0.1279215), wk = 0.0022676 k( 249) = ( 0.5427502 -0.4572498 0.1110938), wk = 0.0022676 k( 250) = ( 0.5401157 -0.4598843 0.0942661), wk = 0.0022676 k( 251) = ( 0.5374812 -0.4625188 0.0774385), wk = 0.0022676 k( 252) = ( 0.5348468 -0.4651533 0.0606108), wk = 0.0022676 k( 253) = ( 0.5322123 -0.4677878 0.0437832), wk = 0.0022676 k( 254) = ( 0.5295778 -0.4704222 0.0269555), wk = 0.0022676 k( 255) = ( 0.5269433 -0.4730567 0.0101278), wk = 0.0022676 k( 256) = ( 0.5243088 -0.4756912 -0.0066998), wk = 0.0022676 k( 257) = ( 0.5216743 -0.4783257 -0.0235275), wk = 0.0022676 k( 258) = ( 0.5190398 -0.4809602 -0.0403552), wk = 0.0022676 k( 259) = ( 0.5164053 -0.4835947 -0.0571828), wk = 0.0022676 k( 260) = ( 0.5137708 -0.4862292 -0.0740105), wk = 0.0022676 k( 261) = ( 0.5111363 -0.4888637 -0.0908382), wk = 0.0022676 k( 262) = ( 0.5085018 -0.4914982 -0.1076658), wk = 0.0022676 k( 263) = ( 0.5058673 -0.4941327 -0.1244935), wk = 0.0022676 k( 264) = ( 0.5032328 -0.4967672 -0.1413211), wk = 0.0022676 k( 265) = ( 0.5005983 -0.4994017 -0.1581488), wk = 0.0022676 k( 266) = ( 0.4979638 -0.5020362 -0.1749765), wk = 0.0022676 k( 267) = ( 0.4953293 -0.5046707 -0.1918041), wk = 0.0022676 k( 268) = ( 0.4953293 -0.5046707 -0.1918041), wk = 0.0022676 k( 269) = ( 0.4957185 -0.5042815 -0.1758204), wk = 0.0022676 k( 270) = ( 0.4961078 -0.5038922 -0.1598368), wk = 0.0022676 k( 271) = ( 0.4964970 -0.5035030 -0.1438531), wk = 0.0022676 k( 272) = ( 0.4968862 -0.5031138 -0.1278694), wk = 0.0022676 k( 273) = ( 0.4972754 -0.5027246 -0.1118857), wk = 0.0022676 k( 274) = ( 0.4976647 -0.5023353 -0.0959021), wk = 0.0022676 k( 275) = ( 0.4980539 -0.5019461 -0.0799184), wk = 0.0022676 k( 276) = ( 0.4984431 -0.5015569 -0.0639347), wk = 0.0022676 k( 277) = ( 0.4988323 -0.5011677 -0.0479510), wk = 0.0022676 k( 278) = ( 0.4992216 -0.5007784 -0.0319673), wk = 0.0022676 k( 279) = ( 0.4996108 -0.5003892 -0.0159837), wk = 0.0022676 k( 280) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0022676 k( 281) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0022676 k( 282) = ( 0.4920635 -0.4920635 -0.0000000), wk = 0.0022676 k( 283) = ( 0.4841270 -0.4841270 -0.0000000), wk = 0.0022676 k( 284) = ( 0.4761905 -0.4761905 -0.0000000), wk = 0.0022676 k( 285) = ( 0.4682540 -0.4682540 -0.0000000), wk = 0.0022676 k( 286) = ( 0.4603175 -0.4603175 -0.0000000), wk = 0.0022676 k( 287) = ( 0.4523810 -0.4523810 -0.0000000), wk = 0.0022676 k( 288) = ( 0.4444444 -0.4444444 -0.0000000), wk = 0.0022676 k( 289) = ( 0.4365079 -0.4365079 -0.0000000), wk = 0.0022676 k( 290) = ( 0.4285714 -0.4285714 -0.0000000), wk = 0.0022676 k( 291) = ( 0.4206349 -0.4206349 -0.0000000), wk = 0.0022676 k( 292) = ( 0.4126984 -0.4126984 -0.0000000), wk = 0.0022676 k( 293) = ( 0.4047619 -0.4047619 0.0000000), wk = 0.0022676 k( 294) = ( 0.3968254 -0.3968254 -0.0000000), wk = 0.0022676 k( 295) = ( 0.3888889 -0.3888889 0.0000000), wk = 0.0022676 k( 296) = ( 0.3809524 -0.3809524 -0.0000000), wk = 0.0022676 k( 297) = ( 0.3730159 -0.3730159 0.0000000), wk = 0.0022676 k( 298) = ( 0.3650794 -0.3650794 -0.0000000), wk = 0.0022676 k( 299) = ( 0.3571429 -0.3571429 0.0000000), wk = 0.0022676 k( 300) = ( 0.3492063 -0.3492064 -0.0000000), wk = 0.0022676 k( 301) = ( 0.3412698 -0.3412698 0.0000000), wk = 0.0022676 k( 302) = ( 0.3333333 -0.3333333 -0.0000000), wk = 0.0022676 k( 303) = ( 0.3253968 -0.3253968 0.0000000), wk = 0.0022676 k( 304) = ( 0.3174603 -0.3174603 -0.0000000), wk = 0.0022676 k( 305) = ( 0.3095238 -0.3095238 0.0000000), wk = 0.0022676 k( 306) = ( 0.3015873 -0.3015873 -0.0000000), wk = 0.0022676 k( 307) = ( 0.2936508 -0.2936508 -0.0000000), wk = 0.0022676 k( 308) = ( 0.2857143 -0.2857143 -0.0000000), wk = 0.0022676 k( 309) = ( 0.2777778 -0.2777778 -0.0000000), wk = 0.0022676 k( 310) = ( 0.2698413 -0.2698413 -0.0000000), wk = 0.0022676 k( 311) = ( 0.2619048 -0.2619048 -0.0000000), wk = 0.0022676 k( 312) = ( 0.2539683 -0.2539682 -0.0000000), wk = 0.0022676 k( 313) = ( 0.2460317 -0.2460318 0.0000000), wk = 0.0022676 k( 314) = ( 0.2380952 -0.2380952 -0.0000000), wk = 0.0022676 k( 315) = ( 0.2301587 -0.2301587 -0.0000000), wk = 0.0022676 k( 316) = ( 0.2222222 -0.2222222 -0.0000000), wk = 0.0022676 k( 317) = ( 0.2142857 -0.2142857 -0.0000000), wk = 0.0022676 k( 318) = ( 0.2063492 -0.2063492 0.0000000), wk = 0.0022676 k( 319) = ( 0.1984127 -0.1984127 -0.0000000), wk = 0.0022676 k( 320) = ( 0.1904762 -0.1904762 -0.0000000), wk = 0.0022676 k( 321) = ( 0.1825397 -0.1825397 0.0000000), wk = 0.0022676 k( 322) = ( 0.1746032 -0.1746032 -0.0000000), wk = 0.0022676 k( 323) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0022676 k( 324) = ( 0.1587302 -0.1587302 -0.0000000), wk = 0.0022676 k( 325) = ( 0.1507937 -0.1507937 -0.0000000), wk = 0.0022676 k( 326) = ( 0.1428571 -0.1428571 -0.0000000), wk = 0.0022676 k( 327) = ( 0.1349206 -0.1349206 -0.0000000), wk = 0.0022676 k( 328) = ( 0.1269841 -0.1269841 -0.0000000), wk = 0.0022676 k( 329) = ( 0.1190476 -0.1190476 -0.0000000), wk = 0.0022676 k( 330) = ( 0.1111111 -0.1111111 -0.0000000), wk = 0.0022676 k( 331) = ( 0.1031746 -0.1031746 0.0000000), wk = 0.0022676 k( 332) = ( 0.0952381 -0.0952381 0.0000000), wk = 0.0022676 k( 333) = ( 0.0873016 -0.0873016 -0.0000000), wk = 0.0022676 k( 334) = ( 0.0793651 -0.0793651 -0.0000000), wk = 0.0022676 k( 335) = ( 0.0714286 -0.0714286 -0.0000000), wk = 0.0022676 k( 336) = ( 0.0634921 -0.0634921 -0.0000000), wk = 0.0022676 k( 337) = ( 0.0555556 -0.0555556 -0.0000000), wk = 0.0022676 k( 338) = ( 0.0476191 -0.0476191 0.0000000), wk = 0.0022676 k( 339) = ( 0.0396825 -0.0396825 -0.0000000), wk = 0.0022676 k( 340) = ( 0.0317460 -0.0317460 -0.0000000), wk = 0.0022676 k( 341) = ( 0.0238095 -0.0238095 0.0000000), wk = 0.0022676 k( 342) = ( 0.0158730 -0.0158730 0.0000000), wk = 0.0022676 k( 343) = ( 0.0079365 -0.0079365 0.0000000), wk = 0.0022676 k( 344) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 345) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 346) = ( 0.0108696 -0.0000000 -0.0000000), wk = 0.0022676 k( 347) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0022676 k( 348) = ( 0.0326087 -0.0000000 0.0000000), wk = 0.0022676 k( 349) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0022676 k( 350) = ( 0.0543478 -0.0000000 -0.0000000), wk = 0.0022676 k( 351) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0022676 k( 352) = ( 0.0760870 -0.0000000 -0.0000000), wk = 0.0022676 k( 353) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0022676 k( 354) = ( 0.0978261 -0.0000000 -0.0000000), wk = 0.0022676 k( 355) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0022676 k( 356) = ( 0.1195652 -0.0000000 0.0000000), wk = 0.0022676 k( 357) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0022676 k( 358) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0022676 k( 359) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0022676 k( 360) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0022676 k( 361) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0022676 k( 362) = ( 0.1847826 -0.0000000 0.0000000), wk = 0.0022676 k( 363) = ( 0.1956522 -0.0000000 -0.0000000), wk = 0.0022676 k( 364) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0022676 k( 365) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0022676 k( 366) = ( 0.2282609 -0.0000000 -0.0000000), wk = 0.0022676 k( 367) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0022676 k( 368) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0022676 k( 369) = ( 0.2608696 -0.0000000 0.0000000), wk = 0.0022676 k( 370) = ( 0.2717391 -0.0000000 -0.0000000), wk = 0.0022676 k( 371) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0022676 k( 372) = ( 0.2934783 -0.0000000 -0.0000000), wk = 0.0022676 k( 373) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0022676 k( 374) = ( 0.3152174 -0.0000000 -0.0000000), wk = 0.0022676 k( 375) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0022676 k( 376) = ( 0.3369565 -0.0000000 0.0000000), wk = 0.0022676 k( 377) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0022676 k( 378) = ( 0.3586956 -0.0000000 -0.0000000), wk = 0.0022676 k( 379) = ( 0.3695652 -0.0000000 0.0000000), wk = 0.0022676 k( 380) = ( 0.3804348 -0.0000000 -0.0000000), wk = 0.0022676 k( 381) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0022676 k( 382) = ( 0.4021739 -0.0000000 -0.0000000), wk = 0.0022676 k( 383) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0022676 k( 384) = ( 0.4239130 0.0000000 -0.0000000), wk = 0.0022676 k( 385) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0022676 k( 386) = ( 0.4456522 -0.0000000 0.0000000), wk = 0.0022676 k( 387) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0022676 k( 388) = ( 0.4673913 -0.0000000 -0.0000000), wk = 0.0022676 k( 389) = ( 0.4782609 -0.0000000 -0.0000000), wk = 0.0022676 k( 390) = ( 0.4891304 -0.0000000 0.0000000), wk = 0.0022676 k( 391) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022676 k( 392) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022676 k( 393) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0022676 k( 394) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0022676 k( 395) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0022676 k( 396) = ( 0.4591837 -0.0000000 0.4591837), wk = 0.0022676 k( 397) = ( 0.4489796 -0.0000000 0.4489796), wk = 0.0022676 k( 398) = ( 0.4387755 -0.0000000 0.4387755), wk = 0.0022676 k( 399) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0022676 k( 400) = ( 0.4183674 -0.0000000 0.4183674), wk = 0.0022676 k( 401) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0022676 k( 402) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0022676 k( 403) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0022676 k( 404) = ( 0.3775510 -0.0000000 0.3775510), wk = 0.0022676 k( 405) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0022676 k( 406) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0022676 k( 407) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0022676 k( 408) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0022676 k( 409) = ( 0.3265306 -0.0000000 0.3265306), wk = 0.0022676 k( 410) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0022676 k( 411) = ( 0.3061224 -0.0000000 0.3061225), wk = 0.0022676 k( 412) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0022676 k( 413) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0022676 k( 414) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0022676 k( 415) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0022676 k( 416) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0022676 k( 417) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0022676 k( 418) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0022676 k( 419) = ( 0.2244898 -0.0000000 0.2244898), wk = 0.0022676 k( 420) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0022676 k( 421) = ( 0.2040816 -0.0000000 0.2040816), wk = 0.0022676 k( 422) = ( 0.1938776 -0.0000000 0.1938776), wk = 0.0022676 k( 423) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0022676 k( 424) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0022676 k( 425) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0022676 k( 426) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0022676 k( 427) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0022676 k( 428) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0022676 k( 429) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0022676 k( 430) = ( 0.1122449 -0.0000000 0.1122449), wk = 0.0022676 k( 431) = ( 0.1020408 -0.0000000 0.1020408), wk = 0.0022676 k( 432) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0022676 k( 433) = ( 0.0816327 0.0000000 0.0816327), wk = 0.0022676 k( 434) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0022676 k( 435) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0022676 k( 436) = ( 0.0510204 -0.0000000 0.0510204), wk = 0.0022676 k( 437) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0022676 k( 438) = ( 0.0306122 -0.0000000 0.0306122), wk = 0.0022676 k( 439) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0022676 k( 440) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0022676 k( 441) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 Dense grid: 44263 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 32847 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 234, 40) NL pseudopotentials 0.12 Mb ( 117, 70) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1227) G-vector shells 0.01 Mb ( 1179) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 234, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 70, 2, 40) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./Na2CN2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.0 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.4 secs Computing kpt #: 14 total cpu time spent up to now is 5.6 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 6.0 secs Computing kpt #: 17 total cpu time spent up to now is 6.2 secs Computing kpt #: 18 total cpu time spent up to now is 6.4 secs Computing kpt #: 19 total cpu time spent up to now is 6.6 secs Computing kpt #: 20 total cpu time spent up to now is 6.8 secs Computing kpt #: 21 total cpu time spent up to now is 7.0 secs Computing kpt #: 22 total cpu time spent up to now is 7.2 secs Computing kpt #: 23 total cpu time spent up to now is 7.4 secs Computing kpt #: 24 total cpu time spent up to now is 7.6 secs Computing kpt #: 25 total cpu time spent up to now is 7.8 secs Computing kpt #: 26 total cpu time spent up to now is 8.0 secs Computing kpt #: 27 total cpu time spent up to now is 8.3 secs Computing kpt #: 28 total cpu time spent up to now is 8.5 secs Computing kpt #: 29 total cpu time spent up to now is 8.7 secs Computing kpt #: 30 total cpu time spent up to now is 8.9 secs Computing kpt #: 31 total cpu time spent up to now is 9.2 secs Computing kpt #: 32 total cpu time spent up to now is 9.4 secs Computing kpt #: 33 total cpu time spent up to now is 9.6 secs Computing kpt #: 34 total cpu time spent up to now is 9.8 secs Computing kpt #: 35 total cpu time spent up to now is 10.0 secs Computing kpt #: 36 total cpu time spent up to now is 10.2 secs Computing kpt #: 37 total cpu time spent up to now is 10.4 secs Computing kpt #: 38 total cpu time spent up to now is 10.7 secs Computing kpt #: 39 total cpu time spent up to now is 10.9 secs Computing kpt #: 40 total cpu time spent up to now is 11.1 secs Computing kpt #: 41 total cpu time spent up to now is 11.3 secs Computing kpt #: 42 total cpu time spent up to now is 11.5 secs Computing kpt #: 43 total cpu time spent up to now is 11.7 secs Computing kpt #: 44 total cpu time spent up to now is 11.9 secs Computing kpt #: 45 total cpu time spent up to now is 12.1 secs Computing kpt #: 46 total cpu time spent up to now is 12.4 secs Computing kpt #: 47 total cpu time spent up to now is 12.6 secs Computing kpt #: 48 total cpu time spent up to now is 12.8 secs Computing kpt #: 49 total cpu time spent up to now is 13.0 secs Computing kpt #: 50 total cpu time spent up to now is 13.2 secs Computing kpt #: 51 total cpu time spent up to now is 13.5 secs Computing kpt #: 52 total cpu time spent up to now is 13.7 secs Computing kpt #: 53 total cpu time spent up to now is 13.9 secs Computing kpt #: 54 total cpu time spent up to now is 14.1 secs Computing kpt #: 55 total cpu time spent up to now is 14.3 secs Computing kpt #: 56 total cpu time spent up to now is 14.6 secs Computing kpt #: 57 total cpu time spent up to now is 14.8 secs Computing kpt #: 58 total cpu time spent up to now is 15.0 secs Computing kpt #: 59 total cpu time spent up to now is 15.2 secs Computing kpt #: 60 total cpu time spent up to now is 15.5 secs Computing kpt #: 61 total cpu time spent up to now is 15.7 secs Computing kpt #: 62 total cpu time spent up to now is 15.9 secs Computing kpt #: 63 total cpu time spent up to now is 16.1 secs Computing kpt #: 64 total cpu time spent up to now is 16.4 secs Computing kpt #: 65 total cpu time spent up to now is 16.6 secs Computing kpt #: 66 total cpu time spent up to now is 16.8 secs Computing kpt #: 67 total cpu time spent up to now is 17.0 secs Computing kpt #: 68 total cpu time spent up to now is 17.3 secs Computing kpt #: 69 total cpu time spent up to now is 17.5 secs Computing kpt #: 70 total cpu time spent up to now is 17.7 secs Computing kpt #: 71 total cpu time spent up to now is 18.0 secs Computing kpt #: 72 total cpu time spent up to now is 18.2 secs Computing kpt #: 73 total cpu time spent up to now is 18.5 secs Computing kpt #: 74 total cpu time spent up to now is 18.8 secs Computing kpt #: 75 total cpu time spent up to now is 19.0 secs Computing kpt #: 76 total cpu time spent up to now is 19.2 secs Computing kpt #: 77 total cpu time spent up to now is 19.5 secs Computing kpt #: 78 total cpu time spent up to now is 19.7 secs Computing kpt #: 79 total cpu time spent up to now is 19.9 secs Computing kpt #: 80 total cpu time spent up to now is 20.2 secs Computing kpt #: 81 total cpu time spent up to now is 20.4 secs Computing kpt #: 82 total cpu time spent up to now is 20.6 secs Computing kpt #: 83 total cpu time spent up to now is 20.9 secs Computing kpt #: 84 total cpu time spent up to now is 21.1 secs Computing kpt #: 85 total cpu time spent up to now is 21.4 secs Computing kpt #: 86 total cpu time spent up to now is 21.6 secs Computing kpt #: 87 total cpu time spent up to now is 21.9 secs Computing kpt #: 88 total cpu time spent up to now is 22.2 secs Computing kpt #: 89 total cpu time spent up to now is 22.5 secs Computing kpt #: 90 total cpu time spent up to now is 22.8 secs Computing kpt #: 91 total cpu time spent up to now is 23.0 secs Computing kpt #: 92 total cpu time spent up to now is 23.3 secs Computing kpt #: 93 total cpu time spent up to now is 23.6 secs Computing kpt #: 94 total cpu time spent up to now is 23.9 secs Computing kpt #: 95 total cpu time spent up to now is 24.1 secs Computing kpt #: 96 total cpu time spent up to now is 24.4 secs Computing kpt #: 97 total cpu time spent up to now is 24.6 secs Computing kpt #: 98 total cpu time spent up to now is 24.9 secs Computing kpt #: 99 total cpu time spent up to now is 25.2 secs Computing kpt #: 100 total cpu time spent up to now is 25.4 secs Computing kpt #: 101 total cpu time spent up to now is 25.6 secs Computing kpt #: 102 total cpu time spent up to now is 25.8 secs Computing kpt #: 103 total cpu time spent up to now is 26.1 secs Computing kpt #: 104 total cpu time spent up to now is 26.3 secs Computing kpt #: 105 total cpu time spent up to now is 26.5 secs Computing kpt #: 106 total cpu time spent up to now is 26.8 secs Computing kpt #: 107 total cpu time spent up to now is 27.0 secs Computing kpt #: 108 total cpu time spent up to now is 27.2 secs Computing kpt #: 109 total cpu time spent up to now is 27.5 secs Computing kpt #: 110 total cpu time spent up to now is 27.7 secs Computing kpt #: 111 total cpu time spent up to now is 27.9 secs Computing kpt #: 112 total cpu time spent up to now is 28.2 secs Computing kpt #: 113 total cpu time spent up to now is 28.4 secs Computing kpt #: 114 total cpu time spent up to now is 28.6 secs Computing kpt #: 115 total cpu time spent up to now is 28.8 secs Computing kpt #: 116 total cpu time spent up to now is 29.1 secs Computing kpt #: 117 total cpu time spent up to now is 29.3 secs Computing kpt #: 118 total cpu time spent up to now is 29.5 secs Computing kpt #: 119 total cpu time spent up to now is 29.7 secs Computing kpt #: 120 total cpu time spent up to now is 29.9 secs Computing kpt #: 121 total cpu time spent up to now is 30.2 secs Computing kpt #: 122 total cpu time spent up to now is 30.4 secs Computing kpt #: 123 total cpu time spent up to now is 30.6 secs Computing kpt #: 124 total cpu time spent up to now is 30.8 secs Computing kpt #: 125 total cpu time spent up to now is 31.0 secs Computing kpt #: 126 total cpu time spent up to now is 31.3 secs Computing kpt #: 127 total cpu time spent up to now is 31.5 secs Computing kpt #: 128 total cpu time spent up to now is 31.7 secs Computing kpt #: 129 total cpu time spent up to now is 31.9 secs Computing kpt #: 130 total cpu time spent up to now is 32.1 secs Computing kpt #: 131 total cpu time spent up to now is 32.3 secs Computing kpt #: 132 total cpu time spent up to now is 32.5 secs Computing kpt #: 133 total cpu time spent up to now is 32.7 secs Computing kpt #: 134 total cpu time spent up to now is 32.9 secs Computing kpt #: 135 total cpu time spent up to now is 33.1 secs Computing kpt #: 136 total cpu time spent up to now is 33.3 secs Computing kpt #: 137 total cpu time spent up to now is 33.5 secs Computing kpt #: 138 total cpu time spent up to now is 33.7 secs Computing kpt #: 139 total cpu time spent up to now is 33.9 secs Computing kpt #: 140 total cpu time spent up to now is 34.1 secs Computing kpt #: 141 total cpu time spent up to now is 34.4 secs Computing kpt #: 142 total cpu time spent up to now is 34.6 secs Computing kpt #: 143 total cpu time spent up to now is 34.8 secs Computing kpt #: 144 total cpu time spent up to now is 35.0 secs Computing kpt #: 145 total cpu time spent up to now is 35.2 secs Computing kpt #: 146 total cpu time spent up to now is 35.4 secs Computing kpt #: 147 total cpu time spent up to now is 35.6 secs Computing kpt #: 148 total cpu time spent up to now is 35.8 secs Computing kpt #: 149 total cpu time spent up to now is 36.0 secs Computing kpt #: 150 total cpu time spent up to now is 36.2 secs Computing kpt #: 151 total cpu time spent up to now is 36.3 secs Computing kpt #: 152 total cpu time spent up to now is 36.5 secs Computing kpt #: 153 total cpu time spent up to now is 36.7 secs Computing kpt #: 154 total cpu time spent up to now is 36.9 secs Computing kpt #: 155 total cpu time spent up to now is 37.1 secs Computing kpt #: 156 total cpu time spent up to now is 37.3 secs Computing kpt #: 157 total cpu time spent up to now is 37.5 secs Computing kpt #: 158 total cpu time spent up to now is 37.7 secs Computing kpt #: 159 total cpu time spent up to now is 37.9 secs Computing kpt #: 160 total cpu time spent up to now is 38.1 secs Computing kpt #: 161 total cpu time spent up to now is 38.3 secs Computing kpt #: 162 total cpu time spent up to now is 38.5 secs Computing kpt #: 163 total cpu time spent up to now is 38.7 secs Computing kpt #: 164 total cpu time spent up to now is 38.9 secs Computing kpt #: 165 total cpu time spent up to now is 39.1 secs Computing kpt #: 166 total cpu time spent up to now is 39.3 secs Computing kpt #: 167 total cpu time spent up to now is 39.5 secs Computing kpt #: 168 total cpu time spent up to now is 39.6 secs Computing kpt #: 169 total cpu time spent up to now is 39.8 secs Computing kpt #: 170 total cpu time spent up to now is 40.0 secs Computing kpt #: 171 total cpu time spent up to now is 40.2 secs Computing kpt #: 172 total cpu time spent up to now is 40.4 secs Computing kpt #: 173 total cpu time spent up to now is 40.6 secs Computing kpt #: 174 total cpu time spent up to now is 40.8 secs Computing kpt #: 175 total cpu time spent up to now is 41.0 secs Computing kpt #: 176 total cpu time spent up to now is 41.1 secs Computing kpt #: 177 total cpu time spent up to now is 41.3 secs Computing kpt #: 178 total cpu time spent up to now is 41.5 secs Computing kpt #: 179 total cpu time spent up to now is 41.7 secs Computing kpt #: 180 total cpu time spent up to now is 41.9 secs Computing kpt #: 181 total cpu time spent up to now is 42.1 secs Computing kpt #: 182 total cpu time spent up to now is 42.3 secs Computing kpt #: 183 total cpu time spent up to now is 42.5 secs Computing kpt #: 184 total cpu time spent up to now is 42.7 secs Computing kpt #: 185 total cpu time spent up to now is 42.8 secs Computing kpt #: 186 total cpu time spent up to now is 43.0 secs Computing kpt #: 187 total cpu time spent up to now is 43.2 secs Computing kpt #: 188 total cpu time spent up to now is 43.4 secs Computing kpt #: 189 total cpu time spent up to now is 43.6 secs Computing kpt #: 190 total cpu time spent up to now is 43.8 secs Computing kpt #: 191 total cpu time spent up to now is 44.0 secs Computing kpt #: 192 total cpu time spent up to now is 44.2 secs Computing kpt #: 193 total cpu time spent up to now is 44.4 secs Computing kpt #: 194 total cpu time spent up to now is 44.6 secs Computing kpt #: 195 total cpu time spent up to now is 44.8 secs Computing kpt #: 196 total cpu time spent up to now is 45.0 secs Computing kpt #: 197 total cpu time spent up to now is 45.2 secs Computing kpt #: 198 total cpu time spent up to now is 45.4 secs Computing kpt #: 199 total cpu time spent up to now is 45.6 secs Computing kpt #: 200 total cpu time spent up to now is 45.9 secs Computing kpt #: 201 total cpu time spent up to now is 46.1 secs Computing kpt #: 202 total cpu time spent up to now is 46.3 secs Computing kpt #: 203 total cpu time spent up to now is 46.5 secs Computing kpt #: 204 total cpu time spent up to now is 46.7 secs Computing kpt #: 205 total cpu time spent up to now is 46.9 secs Computing kpt #: 206 total cpu time spent up to now is 47.1 secs Computing kpt #: 207 total cpu time spent up to now is 47.3 secs Computing kpt #: 208 total cpu time spent up to now is 47.5 secs Computing kpt #: 209 total cpu time spent up to now is 47.7 secs Computing kpt #: 210 total cpu time spent up to now is 48.0 secs Computing kpt #: 211 total cpu time spent up to now is 48.2 secs Computing kpt #: 212 total cpu time spent up to now is 48.4 secs Computing kpt #: 213 total cpu time spent up to now is 48.6 secs Computing kpt #: 214 total cpu time spent up to now is 48.8 secs Computing kpt #: 215 total cpu time spent up to now is 49.0 secs Computing kpt #: 216 total cpu time spent up to now is 49.2 secs Computing kpt #: 217 total cpu time spent up to now is 49.4 secs Computing kpt #: 218 total cpu time spent up to now is 49.7 secs Computing kpt #: 219 total cpu time spent up to now is 49.9 secs Computing kpt #: 220 total cpu time spent up to now is 50.1 secs Computing kpt #: 221 total cpu time spent up to now is 50.3 secs Computing kpt #: 222 total cpu time spent up to now is 50.5 secs Computing kpt #: 223 total cpu time spent up to now is 50.7 secs Computing kpt #: 224 total cpu time spent up to now is 50.9 secs Computing kpt #: 225 total cpu time spent up to now is 51.2 secs Computing kpt #: 226 total cpu time spent up to now is 51.4 secs Computing kpt #: 227 total cpu time spent up to now is 51.6 secs Computing kpt #: 228 total cpu time spent up to now is 51.8 secs Computing kpt #: 229 total cpu time spent up to now is 52.0 secs Computing kpt #: 230 total cpu time spent up to now is 52.2 secs Computing kpt #: 231 total cpu time spent up to now is 52.5 secs Computing kpt #: 232 total cpu time spent up to now is 52.7 secs Computing kpt #: 233 total cpu time spent up to now is 53.0 secs Computing kpt #: 234 total cpu time spent up to now is 53.2 secs Computing kpt #: 235 total cpu time spent up to now is 53.5 secs Computing kpt #: 236 total cpu time spent up to now is 53.8 secs Computing kpt #: 237 total cpu time spent up to now is 54.0 secs Computing kpt #: 238 total cpu time spent up to now is 54.3 secs Computing kpt #: 239 total cpu time spent up to now is 54.6 secs Computing kpt #: 240 total cpu time spent up to now is 54.8 secs Computing kpt #: 241 total cpu time spent up to now is 55.1 secs Computing kpt #: 242 total cpu time spent up to now is 55.4 secs Computing kpt #: 243 total cpu time spent up to now is 55.6 secs Computing kpt #: 244 total cpu time spent up to now is 55.9 secs Computing kpt #: 245 total cpu time spent up to now is 56.2 secs Computing kpt #: 246 total cpu time spent up to now is 56.4 secs Computing kpt #: 247 total cpu time spent up to now is 56.7 secs Computing kpt #: 248 total cpu time spent up to now is 56.9 secs Computing kpt #: 249 total cpu time spent up to now is 57.1 secs Computing kpt #: 250 total cpu time spent up to now is 57.3 secs Computing kpt #: 251 total cpu time spent up to now is 57.5 secs Computing kpt #: 252 total cpu time spent up to now is 57.7 secs Computing kpt #: 253 total cpu time spent up to now is 58.0 secs Computing kpt #: 254 total cpu time spent up to now is 58.2 secs Computing kpt #: 255 total cpu time spent up to now is 58.4 secs Computing kpt #: 256 total cpu time spent up to now is 58.6 secs Computing kpt #: 257 total cpu time spent up to now is 58.9 secs Computing kpt #: 258 total cpu time spent up to now is 59.1 secs Computing kpt #: 259 total cpu time spent up to now is 59.3 secs Computing kpt #: 260 total cpu time spent up to now is 59.5 secs Computing kpt #: 261 total cpu time spent up to now is 59.7 secs Computing kpt #: 262 total cpu time spent up to now is 60.0 secs Computing kpt #: 263 total cpu time spent up to now is 60.2 secs Computing kpt #: 264 total cpu time spent up to now is 60.4 secs Computing kpt #: 265 total cpu time spent up to now is 60.6 secs Computing kpt #: 266 total cpu time spent up to now is 60.9 secs Computing kpt #: 267 total cpu time spent up to now is 61.1 secs Computing kpt #: 268 total cpu time spent up to now is 61.3 secs Computing kpt #: 269 total cpu time spent up to now is 61.5 secs Computing kpt #: 270 total cpu time spent up to now is 61.8 secs Computing kpt #: 271 total cpu time spent up to now is 62.0 secs Computing kpt #: 272 total cpu time spent up to now is 62.2 secs Computing kpt #: 273 total cpu time spent up to now is 62.4 secs Computing kpt #: 274 total cpu time spent up to now is 62.7 secs Computing kpt #: 275 total cpu time spent up to now is 62.9 secs Computing kpt #: 276 total cpu time spent up to now is 63.1 secs Computing kpt #: 277 total cpu time spent up to now is 63.3 secs Computing kpt #: 278 total cpu time spent up to now is 63.6 secs Computing kpt #: 279 total cpu time spent up to now is 63.8 secs Computing kpt #: 280 total cpu time spent up to now is 64.0 secs Computing kpt #: 281 total cpu time spent up to now is 64.2 secs Computing kpt #: 282 total cpu time spent up to now is 64.5 secs Computing kpt #: 283 total cpu time spent up to now is 64.7 secs Computing kpt #: 284 total cpu time spent up to now is 64.9 secs Computing kpt #: 285 total cpu time spent up to now is 65.1 secs Computing kpt #: 286 total cpu time spent up to now is 65.3 secs Computing kpt #: 287 total cpu time spent up to now is 65.6 secs Computing kpt #: 288 total cpu time spent up to now is 65.8 secs Computing kpt #: 289 total cpu time spent up to now is 66.0 secs Computing kpt #: 290 total cpu time spent up to now is 66.2 secs Computing kpt #: 291 total cpu time spent up to now is 66.5 secs Computing kpt #: 292 total cpu time spent up to now is 66.7 secs Computing kpt #: 293 total cpu time spent up to now is 66.9 secs Computing kpt #: 294 total cpu time spent up to now is 67.2 secs Computing kpt #: 295 total cpu time spent up to now is 67.4 secs Computing kpt #: 296 total cpu time spent up to now is 67.7 secs Computing kpt #: 297 total cpu time spent up to now is 67.9 secs Computing kpt #: 298 total cpu time spent up to now is 68.1 secs Computing kpt #: 299 total cpu time spent up to now is 68.4 secs Computing kpt #: 300 total cpu time spent up to now is 68.6 secs Computing kpt #: 301 total cpu time spent up to now is 68.9 secs Computing kpt #: 302 total cpu time spent up to now is 69.1 secs Computing kpt #: 303 total cpu time spent up to now is 69.3 secs Computing kpt #: 304 total cpu time spent up to now is 69.6 secs Computing kpt #: 305 total cpu time spent up to now is 69.8 secs Computing kpt #: 306 total cpu time spent up to now is 70.1 secs Computing kpt #: 307 total cpu time spent up to now is 70.3 secs Computing kpt #: 308 total cpu time spent up to now is 70.5 secs Computing kpt #: 309 total cpu time spent up to now is 70.8 secs Computing kpt #: 310 total cpu time spent up to now is 71.0 secs Computing kpt #: 311 total cpu time spent up to now is 71.2 secs Computing kpt #: 312 total cpu time spent up to now is 71.5 secs Computing kpt #: 313 total cpu time spent up to now is 71.7 secs Computing kpt #: 314 total cpu time spent up to now is 71.9 secs Computing kpt #: 315 total cpu time spent up to now is 72.2 secs Computing kpt #: 316 total cpu time spent up to now is 72.4 secs Computing kpt #: 317 total cpu time spent up to now is 72.6 secs Computing kpt #: 318 total cpu time spent up to now is 72.8 secs Computing kpt #: 319 total cpu time spent up to now is 73.1 secs Computing kpt #: 320 total cpu time spent up to now is 73.3 secs Computing kpt #: 321 total cpu time spent up to now is 73.5 secs Computing kpt #: 322 total cpu time spent up to now is 73.8 secs Computing kpt #: 323 total cpu time spent up to now is 74.0 secs Computing kpt #: 324 total cpu time spent up to now is 74.2 secs Computing kpt #: 325 total cpu time spent up to now is 74.4 secs Computing kpt #: 326 total cpu time spent up to now is 74.6 secs Computing kpt #: 327 total cpu time spent up to now is 74.8 secs Computing kpt #: 328 total cpu time spent up to now is 75.0 secs Computing kpt #: 329 total cpu time spent up to now is 75.2 secs Computing kpt #: 330 total cpu time spent up to now is 75.4 secs Computing kpt #: 331 total cpu time spent up to now is 75.6 secs Computing kpt #: 332 total cpu time spent up to now is 75.8 secs Computing kpt #: 333 total cpu time spent up to now is 76.0 secs Computing kpt #: 334 total cpu time spent up to now is 76.2 secs Computing kpt #: 335 total cpu time spent up to now is 76.4 secs Computing kpt #: 336 total cpu time spent up to now is 76.6 secs Computing kpt #: 337 total cpu time spent up to now is 76.8 secs Computing kpt #: 338 total cpu time spent up to now is 77.0 secs Computing kpt #: 339 total cpu time spent up to now is 77.2 secs Computing kpt #: 340 total cpu time spent up to now is 77.4 secs Computing kpt #: 341 total cpu time spent up to now is 77.6 secs Computing kpt #: 342 total cpu time spent up to now is 77.8 secs Computing kpt #: 343 total cpu time spent up to now is 78.0 secs Computing kpt #: 344 total cpu time spent up to now is 78.2 secs Computing kpt #: 345 total cpu time spent up to now is 78.4 secs Computing kpt #: 346 total cpu time spent up to now is 78.6 secs Computing kpt #: 347 total cpu time spent up to now is 78.8 secs Computing kpt #: 348 total cpu time spent up to now is 78.9 secs Computing kpt #: 349 total cpu time spent up to now is 79.1 secs Computing kpt #: 350 total cpu time spent up to now is 79.3 secs Computing kpt #: 351 total cpu time spent up to now is 79.5 secs Computing kpt #: 352 total cpu time spent up to now is 79.7 secs Computing kpt #: 353 total cpu time spent up to now is 79.9 secs Computing kpt #: 354 total cpu time spent up to now is 80.1 secs Computing kpt #: 355 total cpu time spent up to now is 80.3 secs Computing kpt #: 356 total cpu time spent up to now is 80.5 secs Computing kpt #: 357 total cpu time spent up to now is 80.7 secs Computing kpt #: 358 total cpu time spent up to now is 80.9 secs Computing kpt #: 359 total cpu time spent up to now is 81.1 secs Computing kpt #: 360 total cpu time spent up to now is 81.3 secs Computing kpt #: 361 total cpu time spent up to now is 81.5 secs Computing kpt #: 362 total cpu time spent up to now is 81.7 secs Computing kpt #: 363 total cpu time spent up to now is 81.9 secs Computing kpt #: 364 total cpu time spent up to now is 82.2 secs Computing kpt #: 365 total cpu time spent up to now is 82.4 secs Computing kpt #: 366 total cpu time spent up to now is 82.6 secs Computing kpt #: 367 total cpu time spent up to now is 82.8 secs Computing kpt #: 368 total cpu time spent up to now is 83.1 secs Computing kpt #: 369 total cpu time spent up to now is 83.3 secs Computing kpt #: 370 total cpu time spent up to now is 83.5 secs Computing kpt #: 371 total cpu time spent up to now is 83.8 secs Computing kpt #: 372 total cpu time spent up to now is 84.0 secs Computing kpt #: 373 total cpu time spent up to now is 84.3 secs Computing kpt #: 374 total cpu time spent up to now is 84.5 secs Computing kpt #: 375 total cpu time spent up to now is 84.7 secs Computing kpt #: 376 total cpu time spent up to now is 85.0 secs Computing kpt #: 377 total cpu time spent up to now is 85.2 secs Computing kpt #: 378 total cpu time spent up to now is 85.4 secs Computing kpt #: 379 total cpu time spent up to now is 85.6 secs Computing kpt #: 380 total cpu time spent up to now is 85.8 secs Computing kpt #: 381 total cpu time spent up to now is 86.1 secs Computing kpt #: 382 total cpu time spent up to now is 86.3 secs Computing kpt #: 383 total cpu time spent up to now is 86.5 secs Computing kpt #: 384 total cpu time spent up to now is 86.7 secs Computing kpt #: 385 total cpu time spent up to now is 86.9 secs Computing kpt #: 386 total cpu time spent up to now is 87.1 secs Computing kpt #: 387 total cpu time spent up to now is 87.3 secs Computing kpt #: 388 total cpu time spent up to now is 87.6 secs Computing kpt #: 389 total cpu time spent up to now is 87.8 secs Computing kpt #: 390 total cpu time spent up to now is 88.0 secs Computing kpt #: 391 total cpu time spent up to now is 88.2 secs Computing kpt #: 392 total cpu time spent up to now is 88.4 secs Computing kpt #: 393 total cpu time spent up to now is 88.6 secs Computing kpt #: 394 total cpu time spent up to now is 88.8 secs Computing kpt #: 395 total cpu time spent up to now is 89.1 secs Computing kpt #: 396 total cpu time spent up to now is 89.3 secs Computing kpt #: 397 total cpu time spent up to now is 89.5 secs Computing kpt #: 398 total cpu time spent up to now is 89.7 secs Computing kpt #: 399 total cpu time spent up to now is 90.0 secs Computing kpt #: 400 total cpu time spent up to now is 90.2 secs Computing kpt #: 401 total cpu time spent up to now is 90.4 secs Computing kpt #: 402 total cpu time spent up to now is 90.7 secs Computing kpt #: 403 total cpu time spent up to now is 90.9 secs Computing kpt #: 404 total cpu time spent up to now is 91.1 secs Computing kpt #: 405 total cpu time spent up to now is 91.3 secs Computing kpt #: 406 total cpu time spent up to now is 91.6 secs Computing kpt #: 407 total cpu time spent up to now is 91.8 secs Computing kpt #: 408 total cpu time spent up to now is 92.0 secs Computing kpt #: 409 total cpu time spent up to now is 92.2 secs Computing kpt #: 410 total cpu time spent up to now is 92.5 secs Computing kpt #: 411 total cpu time spent up to now is 92.7 secs Computing kpt #: 412 total cpu time spent up to now is 92.9 secs Computing kpt #: 413 total cpu time spent up to now is 93.1 secs Computing kpt #: 414 total cpu time spent up to now is 93.3 secs Computing kpt #: 415 total cpu time spent up to now is 93.5 secs Computing kpt #: 416 total cpu time spent up to now is 93.7 secs Computing kpt #: 417 total cpu time spent up to now is 94.0 secs Computing kpt #: 418 total cpu time spent up to now is 94.2 secs Computing kpt #: 419 total cpu time spent up to now is 94.4 secs Computing kpt #: 420 total cpu time spent up to now is 94.6 secs Computing kpt #: 421 total cpu time spent up to now is 94.8 secs Computing kpt #: 422 total cpu time spent up to now is 95.0 secs Computing kpt #: 423 total cpu time spent up to now is 95.2 secs Computing kpt #: 424 total cpu time spent up to now is 95.4 secs Computing kpt #: 425 total cpu time spent up to now is 95.6 secs Computing kpt #: 426 total cpu time spent up to now is 95.8 secs Computing kpt #: 427 total cpu time spent up to now is 96.0 secs Computing kpt #: 428 total cpu time spent up to now is 96.2 secs Computing kpt #: 429 total cpu time spent up to now is 96.4 secs Computing kpt #: 430 total cpu time spent up to now is 96.6 secs Computing kpt #: 431 total cpu time spent up to now is 96.8 secs Computing kpt #: 432 total cpu time spent up to now is 97.0 secs Computing kpt #: 433 total cpu time spent up to now is 97.2 secs Computing kpt #: 434 total cpu time spent up to now is 97.4 secs Computing kpt #: 435 total cpu time spent up to now is 97.6 secs Computing kpt #: 436 total cpu time spent up to now is 97.8 secs Computing kpt #: 437 total cpu time spent up to now is 98.0 secs Computing kpt #: 438 total cpu time spent up to now is 98.2 secs Computing kpt #: 439 total cpu time spent up to now is 98.4 secs Computing kpt #: 440 total cpu time spent up to now is 98.6 secs Computing kpt #: 441 total cpu time spent up to now is 98.8 secs ethr = 3.13E-08, avg # of iterations = 14.4 total cpu time spent up to now is 98.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4123 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8831 -18.8831 -18.7739 -18.7739 -18.7211 -18.7211 -18.7146 -18.7146 -18.6847 -18.6847 -13.9758 -13.9758 -11.8102 -11.8102 -2.0659 -2.0659 -0.2788 -0.2788 -0.1872 -0.1872 0.0593 0.0593 3.3939 3.3939 3.5124 3.5124 6.7704 6.7704 10.0866 10.0866 10.4197 10.4197 11.3697 11.3697 k = 0.0079 0.0078-0.0020 ( 4117 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8832 -18.8832 -18.7738 -18.7738 -18.7212 -18.7212 -18.7145 -18.7145 -18.6847 -18.6847 -13.9756 -13.9756 -11.8101 -11.8101 -2.0653 -2.0653 -0.2796 -0.2796 -0.1879 -0.1879 0.0587 0.0587 3.3934 3.3934 3.5118 3.5118 6.7728 6.7728 10.0864 10.0864 10.4201 10.4201 11.3713 11.3713 k = 0.0158 0.0156-0.0040 ( 4119 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8833 -18.8833 -18.7738 -18.7738 -18.7214 -18.7214 -18.7144 -18.7144 -18.6848 -18.6848 -13.9749 -13.9749 -11.8098 -11.8098 -2.0636 -2.0636 -0.2821 -0.2821 -0.1903 -0.1903 0.0571 0.0571 3.3917 3.3917 3.5098 3.5098 6.7802 6.7802 10.0858 10.0858 10.4212 10.4212 11.3761 11.3761 k = 0.0237 0.0234-0.0060 ( 4118 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9454 -18.9454 -18.8835 -18.8835 -18.7738 -18.7738 -18.7218 -18.7218 -18.7142 -18.7142 -18.6850 -18.6850 -13.9738 -13.9738 -11.8094 -11.8094 -2.0608 -2.0608 -0.2863 -0.2863 -0.1942 -0.1942 0.0543 0.0543 3.3888 3.3888 3.5065 3.5065 6.7925 6.7925 10.0847 10.0847 10.4231 10.4231 11.3841 11.3841 k = 0.0315 0.0313-0.0080 ( 4119 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9453 -18.9453 -18.8837 -18.8837 -18.7737 -18.7737 -18.7223 -18.7223 -18.7140 -18.7140 -18.6852 -18.6852 -13.9722 -13.9722 -11.8089 -11.8089 -2.0568 -2.0568 -0.2921 -0.2921 -0.1997 -0.1997 0.0506 0.0506 3.3847 3.3847 3.5019 3.5019 6.8097 6.8097 10.0831 10.0831 10.4256 10.4256 11.3954 11.3954 k = 0.0394 0.0391-0.0101 ( 4118 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9453 -18.9453 -18.8840 -18.8840 -18.7737 -18.7737 -18.7228 -18.7228 -18.7138 -18.7138 -18.6855 -18.6855 -13.9701 -13.9701 -11.8082 -11.8082 -2.0518 -2.0518 -0.2996 -0.2996 -0.2067 -0.2067 0.0460 0.0460 3.3795 3.3795 3.4960 3.4960 6.8317 6.8317 10.0808 10.0808 10.4287 10.4287 11.4099 11.4099 k = 0.0473 0.0469-0.0121 ( 4114 PWs) bands (ev): -46.8623 -46.8623 -46.8503 -46.8503 -18.9452 -18.9452 -18.8844 -18.8844 -18.7736 -18.7736 -18.7235 -18.7235 -18.7136 -18.7136 -18.6859 -18.6859 -13.9676 -13.9676 -11.8073 -11.8073 -2.0457 -2.0457 -0.3089 -0.3089 -0.2151 -0.2151 0.0405 0.0405 3.3731 3.3731 3.4889 3.4889 6.8587 6.8587 10.0778 10.0778 10.4322 10.4322 11.4278 11.4278 k = 0.0552 0.0547-0.0141 ( 4115 PWs) bands (ev): -46.8622 -46.8622 -46.8503 -46.8503 -18.9451 -18.9451 -18.8849 -18.8849 -18.7735 -18.7735 -18.7242 -18.7242 -18.7134 -18.7134 -18.6863 -18.6863 -13.9647 -13.9647 -11.8063 -11.8063 -2.0384 -2.0384 -0.3198 -0.3198 -0.2251 -0.2251 0.0343 0.0343 3.3655 3.3655 3.4806 3.4806 6.8905 6.8905 10.0740 10.0740 10.4362 10.4362 11.4491 11.4491 k = 0.0631 0.0625-0.0161 ( 4115 PWs) bands (ev): -46.8622 -46.8622 -46.8504 -46.8504 -18.9450 -18.9450 -18.8854 -18.8854 -18.7734 -18.7734 -18.7249 -18.7249 -18.7132 -18.7132 -18.6868 -18.6868 -13.9614 -13.9614 -11.8051 -11.8051 -2.0301 -2.0301 -0.3323 -0.3323 -0.2365 -0.2365 0.0275 0.0275 3.3567 3.3567 3.4711 3.4711 6.9271 6.9271 10.0692 10.0692 10.4403 10.4403 11.4737 11.4737 k = 0.0710 0.0703-0.0181 ( 4123 PWs) bands (ev): -46.8621 -46.8621 -46.8504 -46.8504 -18.9449 -18.9449 -18.8860 -18.8860 -18.7733 -18.7733 -18.7258 -18.7258 -18.7131 -18.7131 -18.6873 -18.6873 -13.9577 -13.9577 -11.8038 -11.8038 -2.0208 -2.0208 -0.3466 -0.3466 -0.2493 -0.2493 0.0202 0.0202 3.3467 3.3467 3.4604 3.4604 6.9685 6.9685 10.0634 10.0634 10.4445 10.4445 11.5017 11.5017 k = 0.0789 0.0781-0.0201 ( 4123 PWs) bands (ev): -46.8620 -46.8620 -46.8504 -46.8504 -18.9448 -18.9448 -18.8867 -18.8867 -18.7732 -18.7732 -18.7266 -18.7266 -18.7130 -18.7130 -18.6879 -18.6879 -13.9536 -13.9536 -11.8024 -11.8024 -2.0104 -2.0104 -0.3624 -0.3624 -0.2634 -0.2634 0.0126 0.0126 3.3355 3.3355 3.4487 3.4487 7.0146 7.0146 10.0565 10.0565 10.4486 10.4486 11.5330 11.5330 k = 0.0867 0.0859-0.0221 ( 4119 PWs) bands (ev): -46.8619 -46.8619 -46.8505 -46.8505 -18.9446 -18.9446 -18.8874 -18.8874 -18.7730 -18.7730 -18.7275 -18.7275 -18.7129 -18.7129 -18.6885 -18.6885 -13.9491 -13.9491 -11.8009 -11.8009 -1.9990 -1.9990 -0.3798 -0.3798 -0.2788 -0.2788 0.0046 0.0046 3.3231 3.3231 3.4360 3.4360 7.0653 7.0653 10.0484 10.0484 10.4523 10.4523 11.5674 11.5674 k = 0.0946 0.0938-0.0241 ( 4112 PWs) bands (ev): -46.8618 -46.8618 -46.8505 -46.8505 -18.9444 -18.9444 -18.8881 -18.8881 -18.7729 -18.7729 -18.7284 -18.7284 -18.7128 -18.7128 -18.6891 -18.6891 -13.9442 -13.9442 -11.7992 -11.7992 -1.9866 -1.9866 -0.3987 -0.3987 -0.2954 -0.2954 -0.0035 -0.0035 3.3096 3.3096 3.4224 3.4224 7.1206 7.1206 10.0391 10.0391 10.4555 10.4555 11.6050 11.6050 k = 0.1025 0.1016-0.0261 ( 4111 PWs) bands (ev): -46.8616 -46.8616 -46.8505 -46.8505 -18.9442 -18.9442 -18.8889 -18.8889 -18.7727 -18.7727 -18.7293 -18.7293 -18.7128 -18.7128 -18.6897 -18.6897 -13.9391 -13.9391 -11.7974 -11.7974 -1.9733 -1.9733 -0.4189 -0.4189 -0.3132 -0.3132 -0.0118 -0.0118 3.2950 3.2950 3.4078 3.4078 7.1803 7.1803 10.0286 10.0286 10.4580 10.4580 11.6455 11.6455 k = 0.1104 0.1094-0.0281 ( 4110 PWs) bands (ev): -46.8615 -46.8615 -46.8506 -46.8506 -18.9441 -18.9441 -18.8898 -18.8898 -18.7725 -18.7725 -18.7303 -18.7303 -18.7129 -18.7129 -18.6904 -18.6904 -13.9336 -13.9336 -11.7955 -11.7955 -1.9590 -1.9590 -0.4405 -0.4405 -0.3322 -0.3322 -0.0201 -0.0201 3.2793 3.2793 3.3924 3.3924 7.2443 7.2443 10.0169 10.0169 10.4595 10.4595 11.6887 11.6887 k = 0.1183 0.1172-0.0302 ( 4116 PWs) bands (ev): -46.8614 -46.8614 -46.8506 -46.8506 -18.9439 -18.9439 -18.8907 -18.8907 -18.7724 -18.7724 -18.7313 -18.7313 -18.7131 -18.7131 -18.6911 -18.6911 -13.9278 -13.9278 -11.7936 -11.7936 -1.9438 -1.9438 -0.4632 -0.4632 -0.3522 -0.3522 -0.0285 -0.0285 3.2626 3.2626 3.3763 3.3763 7.3126 7.3126 10.0040 10.0040 10.4597 10.4597 11.7343 11.7343 k = 0.1262 0.1250-0.0322 ( 4112 PWs) bands (ev): -46.8612 -46.8612 -46.8507 -46.8507 -18.9437 -18.9437 -18.8916 -18.8916 -18.7722 -18.7722 -18.7323 -18.7323 -18.7133 -18.7133 -18.6917 -18.6917 -13.9217 -13.9217 -11.7915 -11.7915 -1.9278 -1.9278 -0.4869 -0.4869 -0.3732 -0.3732 -0.0368 -0.0368 3.2451 3.2451 3.3594 3.3594 7.3849 7.3849 9.9900 9.9900 10.4586 10.4586 11.7821 11.7821 k = 0.1341 0.1328-0.0342 ( 4114 PWs) bands (ev): -46.8611 -46.8611 -46.8507 -46.8507 -18.9435 -18.9435 -18.8926 -18.8926 -18.7720 -18.7720 -18.7333 -18.7333 -18.7135 -18.7135 -18.6925 -18.6925 -13.9154 -13.9154 -11.7894 -11.7894 -1.9110 -1.9110 -0.5115 -0.5115 -0.3951 -0.3951 -0.0452 -0.0452 3.2267 3.2267 3.3420 3.3420 7.4610 7.4610 9.9749 9.9749 10.4557 10.4557 11.8315 11.8315 k = 0.1419 0.1406-0.0362 ( 4112 PWs) bands (ev): -46.8609 -46.8609 -46.8508 -46.8508 -18.9432 -18.9432 -18.8936 -18.8936 -18.7719 -18.7719 -18.7344 -18.7344 -18.7138 -18.7138 -18.6932 -18.6932 -13.9088 -13.9088 -11.7872 -11.7872 -1.8934 -1.8934 -0.5368 -0.5368 -0.4179 -0.4179 -0.0534 -0.0534 3.2076 3.2076 3.3240 3.3240 7.5409 7.5409 9.9589 9.9589 10.4510 10.4510 11.8822 11.8822 k = 0.1498 0.1484-0.0382 ( 4110 PWs) bands (ev): -46.8608 -46.8608 -46.8508 -46.8508 -18.9430 -18.9430 -18.8946 -18.8946 -18.7716 -18.7716 -18.7354 -18.7354 -18.7142 -18.7142 -18.6939 -18.6939 -13.9021 -13.9021 -11.7850 -11.7850 -1.8751 -1.8751 -0.5628 -0.5628 -0.4414 -0.4414 -0.0616 -0.0616 3.1878 3.1878 3.3055 3.3055 7.6243 7.6243 9.9420 9.9420 10.4442 10.4442 11.9337 11.9337 k = 0.1577 0.1563-0.0402 ( 4102 PWs) bands (ev): -46.8606 -46.8606 -46.8508 -46.8508 -18.9427 -18.9427 -18.8956 -18.8956 -18.7714 -18.7714 -18.7364 -18.7364 -18.7145 -18.7145 -18.6945 -18.6945 -13.8952 -13.8952 -11.7827 -11.7827 -1.8560 -1.8560 -0.5892 -0.5892 -0.4657 -0.4657 -0.0696 -0.0696 3.1674 3.1674 3.2865 3.2865 7.7110 7.7110 9.9244 9.9244 10.4352 10.4352 11.9853 11.9853 k = 0.1656 0.1641-0.0422 ( 4099 PWs) bands (ev): -46.8604 -46.8604 -46.8509 -46.8509 -18.9424 -18.9424 -18.8967 -18.8967 -18.7712 -18.7712 -18.7374 -18.7374 -18.7150 -18.7150 -18.6952 -18.6952 -13.8881 -13.8881 -11.7804 -11.7804 -1.8364 -1.8364 -0.6160 -0.6160 -0.4906 -0.4906 -0.0776 -0.0776 3.1467 3.1467 3.2673 3.2673 7.8008 7.8008 9.9062 9.9062 10.4238 10.4238 12.0364 12.0364 k = 0.1735 0.1719-0.0442 ( 4103 PWs) bands (ev): -46.8602 -46.8602 -46.8510 -46.8510 -18.9422 -18.9422 -18.8978 -18.8978 -18.7711 -18.7711 -18.7384 -18.7384 -18.7155 -18.7155 -18.6959 -18.6959 -13.8809 -13.8809 -11.7780 -11.7780 -1.8161 -1.8161 -0.6430 -0.6430 -0.5160 -0.5160 -0.0854 -0.0854 3.1255 3.1255 3.2478 3.2478 7.8934 7.8934 9.8875 9.8875 10.4098 10.4098 12.0861 12.0861 k = 0.1814 0.1797-0.0462 ( 4110 PWs) bands (ev): -46.8601 -46.8601 -46.8510 -46.8510 -18.9419 -18.9419 -18.8989 -18.8989 -18.7709 -18.7709 -18.7395 -18.7395 -18.7161 -18.7161 -18.6966 -18.6966 -13.8735 -13.8735 -11.7756 -11.7756 -1.7954 -1.7954 -0.6700 -0.6700 -0.5420 -0.5420 -0.0931 -0.0931 3.1042 3.1042 3.2281 3.2281 7.9887 7.9887 9.8684 9.8684 10.3932 10.3932 12.1334 12.1334 k = 0.1893 0.1875-0.0483 ( 4112 PWs) bands (ev): -46.8599 -46.8599 -46.8511 -46.8511 -18.9416 -18.9416 -18.9000 -18.9000 -18.7708 -18.7708 -18.7404 -18.7404 -18.7167 -18.7167 -18.6973 -18.6973 -13.8661 -13.8661 -11.7733 -11.7733 -1.7742 -1.7742 -0.6971 -0.6971 -0.5683 -0.5683 -0.1006 -0.1006 3.0826 3.0826 3.2082 3.2082 8.0863 8.0863 9.8490 9.8490 10.3739 10.3739 12.1772 12.1772 k = 0.1971 0.1953-0.0503 ( 4111 PWs) bands (ev): -46.8597 -46.8597 -46.8512 -46.8512 -18.9413 -18.9413 -18.9011 -18.9011 -18.7706 -18.7706 -18.7414 -18.7414 -18.7173 -18.7173 -18.6979 -18.6979 -13.8586 -13.8586 -11.7709 -11.7709 -1.7525 -1.7525 -0.7239 -0.7239 -0.5950 -0.5950 -0.1080 -0.1080 3.0611 3.0611 3.1883 3.1883 8.1860 8.1860 9.8295 9.8295 10.3519 10.3519 12.2159 12.2159 k = 0.2050 0.2031-0.0523 ( 4111 PWs) bands (ev): -46.8595 -46.8595 -46.8512 -46.8512 -18.9411 -18.9411 -18.9021 -18.9021 -18.7705 -18.7705 -18.7423 -18.7423 -18.7180 -18.7180 -18.6985 -18.6985 -13.8511 -13.8511 -11.7685 -11.7685 -1.7306 -1.7306 -0.7506 -0.7506 -0.6220 -0.6220 -0.1151 -0.1151 3.0396 3.0396 3.1684 3.1684 8.2875 8.2875 9.8101 9.8101 10.3273 10.3273 12.2478 12.2478 k = 0.2129 0.2109-0.0543 ( 4109 PWs) bands (ev): -46.8593 -46.8593 -46.8513 -46.8513 -18.9408 -18.9408 -18.9032 -18.9032 -18.7704 -18.7704 -18.7432 -18.7432 -18.7186 -18.7186 -18.6992 -18.6992 -13.8436 -13.8436 -11.7662 -11.7662 -1.7083 -1.7083 -0.7769 -0.7769 -0.6492 -0.6492 -0.1221 -0.1221 3.0182 3.0182 3.1486 3.1486 8.3904 8.3904 9.7908 9.7908 10.3001 10.3001 12.2709 12.2709 k = 0.2208 0.2188-0.0563 ( 4109 PWs) bands (ev): -46.8591 -46.8591 -46.8513 -46.8513 -18.9405 -18.9405 -18.9043 -18.9043 -18.7703 -18.7703 -18.7441 -18.7441 -18.7193 -18.7193 -18.6998 -18.6998 -13.8361 -13.8361 -11.7638 -11.7638 -1.6859 -1.6859 -0.8027 -0.8027 -0.6765 -0.6765 -0.1288 -0.1288 2.9970 2.9970 3.1288 3.1288 8.4943 8.4943 9.7718 9.7718 10.2703 10.2703 12.2830 12.2830 k = 0.2287 0.2266-0.0583 ( 4111 PWs) bands (ev): -46.8589 -46.8589 -46.8514 -46.8514 -18.9401 -18.9401 -18.9054 -18.9054 -18.7703 -18.7703 -18.7449 -18.7449 -18.7200 -18.7200 -18.7004 -18.7004 -13.8286 -13.8286 -11.7615 -11.7615 -1.6634 -1.6634 -0.8281 -0.8281 -0.7039 -0.7039 -0.1352 -0.1352 2.9762 2.9762 3.1093 3.1093 8.5989 8.5989 9.7533 9.7533 10.2381 10.2381 12.2822 12.2822 k = 0.2366 0.2344-0.0603 ( 4115 PWs) bands (ev): -46.8587 -46.8587 -46.8515 -46.8515 -18.9398 -18.9398 -18.9064 -18.9064 -18.7703 -18.7703 -18.7456 -18.7456 -18.7208 -18.7208 -18.7010 -18.7010 -13.8212 -13.8212 -11.7593 -11.7593 -1.6408 -1.6408 -0.8530 -0.8530 -0.7312 -0.7312 -0.1413 -0.1413 2.9557 2.9557 3.0900 3.0900 8.7037 8.7037 9.7355 9.7355 10.2037 10.2037 12.2671 12.2671 k = 0.2444 0.2422-0.0623 ( 4111 PWs) bands (ev): -46.8585 -46.8585 -46.8515 -46.8515 -18.9395 -18.9395 -18.9074 -18.9074 -18.7702 -18.7702 -18.7463 -18.7463 -18.7214 -18.7214 -18.7017 -18.7017 -13.8138 -13.8138 -11.7570 -11.7570 -1.6182 -1.6182 -0.8772 -0.8772 -0.7585 -0.7585 -0.1470 -0.1470 2.9357 2.9357 3.0710 3.0710 8.8080 8.8080 9.7187 9.7187 10.1671 10.1671 12.2376 12.2376 k = 0.2523 0.2500-0.0643 ( 4102 PWs) bands (ev): -46.8583 -46.8583 -46.8516 -46.8516 -18.9391 -18.9391 -18.9084 -18.9084 -18.7702 -18.7702 -18.7469 -18.7469 -18.7221 -18.7221 -18.7022 -18.7022 -13.8066 -13.8066 -11.7549 -11.7549 -1.5958 -1.5958 -0.9007 -0.9007 -0.7857 -0.7857 -0.1524 -0.1524 2.9162 2.9162 3.0523 3.0523 8.9110 8.9110 9.7032 9.7032 10.1287 10.1287 12.1949 12.1949 k = 0.2602 0.2578-0.0663 ( 4110 PWs) bands (ev): -46.8581 -46.8581 -46.8517 -46.8517 -18.9388 -18.9388 -18.9094 -18.9094 -18.7703 -18.7703 -18.7476 -18.7476 -18.7229 -18.7229 -18.7028 -18.7028 -13.7994 -13.7994 -11.7527 -11.7527 -1.5735 -1.5735 -0.9236 -0.9236 -0.8126 -0.8126 -0.1573 -0.1573 2.8972 2.8972 3.0341 3.0341 9.0118 9.0118 9.6897 9.6897 10.0886 10.0886 12.1412 12.1412 k = 0.2681 0.2656-0.0684 ( 4110 PWs) bands (ev): -46.8579 -46.8579 -46.8517 -46.8517 -18.9385 -18.9385 -18.9104 -18.9104 -18.7704 -18.7704 -18.7481 -18.7481 -18.7235 -18.7235 -18.7035 -18.7035 -13.7924 -13.7924 -11.7507 -11.7507 -1.5516 -1.5516 -0.9456 -0.9456 -0.8394 -0.8394 -0.1618 -0.1618 2.8789 2.8789 3.0162 3.0162 9.1090 9.1090 9.6790 9.6790 10.0469 10.0469 12.0792 12.0792 k = 0.2760 0.2734-0.0704 ( 4106 PWs) bands (ev): -46.8577 -46.8577 -46.8518 -46.8518 -18.9382 -18.9382 -18.9113 -18.9113 -18.7705 -18.7705 -18.7486 -18.7486 -18.7242 -18.7242 -18.7041 -18.7041 -13.7855 -13.7855 -11.7487 -11.7487 -1.5300 -1.5300 -0.9669 -0.9669 -0.8657 -0.8657 -0.1657 -0.1657 2.8612 2.8612 2.9989 2.9989 9.2003 9.2003 9.6728 9.6728 10.0040 10.0040 12.0121 12.0121 k = 0.2839 0.2813-0.0724 ( 4102 PWs) bands (ev): -46.8575 -46.8575 -46.8518 -46.8518 -18.9378 -18.9378 -18.9122 -18.9122 -18.7707 -18.7707 -18.7490 -18.7490 -18.7248 -18.7248 -18.7047 -18.7047 -13.7788 -13.7788 -11.7467 -11.7467 -1.5088 -1.5088 -0.9874 -0.9874 -0.8917 -0.8917 -0.1691 -0.1691 2.8441 2.8441 2.9821 2.9821 9.2823 9.2823 9.6738 9.6738 9.9599 9.9599 11.9425 11.9425 k = 0.2918 0.2891-0.0744 ( 4105 PWs) bands (ev): -46.8573 -46.8573 -46.8519 -46.8519 -18.9375 -18.9375 -18.9131 -18.9131 -18.7709 -18.7709 -18.7494 -18.7494 -18.7254 -18.7254 -18.7053 -18.7053 -13.7722 -13.7722 -11.7448 -11.7448 -1.4882 -1.4882 -1.0071 -1.0071 -0.9173 -0.9173 -0.1720 -0.1720 2.8278 2.8278 2.9658 2.9658 9.3500 9.3500 9.6861 9.6861 9.9150 9.9150 11.8731 11.8731 k = 0.2996 0.2969-0.0764 ( 4103 PWs) bands (ev): -46.8571 -46.8571 -46.8520 -46.8520 -18.9372 -18.9372 -18.9139 -18.9139 -18.7711 -18.7711 -18.7498 -18.7498 -18.7259 -18.7259 -18.7059 -18.7059 -13.7658 -13.7658 -11.7430 -11.7430 -1.4683 -1.4683 -1.0260 -1.0260 -0.9425 -0.9425 -0.1742 -0.1742 2.8122 2.8122 2.9502 2.9502 9.3983 9.3983 9.7139 9.7139 9.8694 9.8694 11.8063 11.8063 k = 0.3075 0.3047-0.0784 ( 4103 PWs) bands (ev): -46.8569 -46.8569 -46.8520 -46.8520 -18.9369 -18.9369 -18.9147 -18.9147 -18.7713 -18.7713 -18.7501 -18.7501 -18.7264 -18.7264 -18.7065 -18.7065 -13.7597 -13.7597 -11.7413 -11.7413 -1.4490 -1.4490 -1.0440 -1.0440 -0.9671 -0.9671 -0.1757 -0.1757 2.7974 2.7974 2.9352 2.9352 9.4260 9.4260 9.7573 9.7573 9.8233 9.8233 11.7442 11.7442 k = 0.3154 0.3125-0.0804 ( 4103 PWs) bands (ev): -46.8567 -46.8567 -46.8521 -46.8521 -18.9366 -18.9366 -18.9154 -18.9154 -18.7715 -18.7715 -18.7504 -18.7504 -18.7269 -18.7269 -18.7071 -18.7071 -13.7537 -13.7537 -11.7396 -11.7396 -1.4305 -1.4305 -1.0612 -1.0612 -0.9911 -0.9911 -0.1765 -0.1765 2.7833 2.7833 2.9208 2.9208 9.4375 9.4375 9.7766 9.7766 9.8107 9.8107 11.6889 11.6889 k = 0.3233 0.3203-0.0824 ( 4101 PWs) bands (ev): -46.8566 -46.8566 -46.8521 -46.8521 -18.9363 -18.9363 -18.9161 -18.9161 -18.7718 -18.7718 -18.7508 -18.7508 -18.7273 -18.7273 -18.7077 -18.7077 -13.7480 -13.7480 -11.7380 -11.7380 -1.4129 -1.4129 -1.0776 -1.0776 -1.0144 -1.0144 -0.1766 -0.1766 2.7700 2.7700 2.9072 2.9072 9.4388 9.4388 9.7301 9.7301 9.8663 9.8663 11.6424 11.6424 k = 0.3312 0.3281-0.0844 ( 4105 PWs) bands (ev): -46.8564 -46.8564 -46.8522 -46.8522 -18.9360 -18.9360 -18.9168 -18.9168 -18.7720 -18.7720 -18.7511 -18.7511 -18.7276 -18.7276 -18.7084 -18.7084 -13.7425 -13.7425 -11.7365 -11.7365 -1.3962 -1.3962 -1.0931 -1.0931 -1.0372 -1.0372 -0.1760 -0.1760 2.7574 2.7574 2.8943 2.8943 9.4343 9.4343 9.6836 9.6836 9.9185 9.9185 11.6067 11.6067 k = 0.3391 0.3360-0.0864 ( 4105 PWs) bands (ev): -46.8562 -46.8562 -46.8522 -46.8522 -18.9358 -18.9358 -18.9174 -18.9174 -18.7723 -18.7723 -18.7514 -18.7514 -18.7279 -18.7279 -18.7090 -18.7090 -13.7372 -13.7372 -11.7350 -11.7350 -1.3805 -1.3805 -1.1079 -1.1079 -1.0592 -1.0592 -0.1746 -0.1746 2.7456 2.7456 2.8822 2.8822 9.4265 9.4265 9.6371 9.6371 9.9637 9.9637 11.5833 11.5833 k = 0.3470 0.3438-0.0885 ( 4105 PWs) bands (ev): -46.8561 -46.8561 -46.8523 -46.8523 -18.9355 -18.9355 -18.9180 -18.9180 -18.7725 -18.7725 -18.7517 -18.7517 -18.7281 -18.7281 -18.7096 -18.7096 -13.7322 -13.7322 -11.7336 -11.7336 -1.3657 -1.3657 -1.1218 -1.1218 -1.0804 -1.0804 -0.1724 -0.1724 2.7346 2.7346 2.8708 2.8708 9.4166 9.4166 9.5910 9.5910 9.9994 9.9994 11.5735 11.5735 k = 0.3548 0.3516-0.0905 ( 4102 PWs) bands (ev): -46.8559 -46.8559 -46.8523 -46.8523 -18.9352 -18.9352 -18.9186 -18.9186 -18.7728 -18.7728 -18.7520 -18.7520 -18.7283 -18.7283 -18.7102 -18.7102 -13.7274 -13.7274 -11.7323 -11.7323 -1.3521 -1.3521 -1.1350 -1.1350 -1.1009 -1.1009 -0.1694 -0.1694 2.7243 2.7243 2.8602 2.8602 9.4056 9.4056 9.5453 9.5453 10.0244 10.0244 11.5777 11.5777 k = 0.3627 0.3594-0.0925 ( 4104 PWs) bands (ev): -46.8558 -46.8558 -46.8524 -46.8524 -18.9350 -18.9350 -18.9191 -18.9191 -18.7730 -18.7730 -18.7523 -18.7523 -18.7284 -18.7284 -18.7108 -18.7108 -13.7228 -13.7228 -11.7311 -11.7311 -1.3395 -1.3395 -1.1475 -1.1475 -1.1205 -1.1205 -0.1657 -0.1657 2.7148 2.7148 2.8505 2.8505 9.3938 9.3938 9.5002 9.5002 10.0386 10.0386 11.5959 11.5959 k = 0.3706 0.3672-0.0945 ( 4109 PWs) bands (ev): -46.8556 -46.8556 -46.8524 -46.8524 -18.9348 -18.9348 -18.9196 -18.9196 -18.7732 -18.7732 -18.7527 -18.7527 -18.7284 -18.7284 -18.7114 -18.7114 -13.7185 -13.7185 -11.7299 -11.7299 -1.3281 -1.3281 -1.1593 -1.1593 -1.1393 -1.1393 -0.1613 -0.1613 2.7060 2.7060 2.8416 2.8416 9.3815 9.3815 9.4558 9.4558 10.0429 10.0429 11.6269 11.6269 k = 0.3785 0.3750-0.0965 ( 4103 PWs) bands (ev): -46.8555 -46.8555 -46.8524 -46.8524 -18.9346 -18.9346 -18.9200 -18.9200 -18.7733 -18.7733 -18.7530 -18.7530 -18.7284 -18.7284 -18.7120 -18.7120 -13.7145 -13.7145 -11.7288 -11.7288 -1.3177 -1.3177 -1.1706 -1.1706 -1.1570 -1.1570 -0.1561 -0.1561 2.6979 2.6979 2.8336 2.8336 9.3688 9.3688 9.4122 9.4122 10.0385 10.0385 11.6694 11.6694 k = 0.3864 0.3828-0.0985 ( 4107 PWs) bands (ev): -46.8554 -46.8554 -46.8525 -46.8525 -18.9344 -18.9344 -18.9204 -18.9204 -18.7735 -18.7735 -18.7534 -18.7534 -18.7283 -18.7283 -18.7126 -18.7126 -13.7107 -13.7107 -11.7278 -11.7278 -1.3084 -1.3084 -1.1814 -1.1814 -1.1737 -1.1737 -0.1503 -0.1503 2.6905 2.6905 2.8264 2.8264 9.3556 9.3556 9.3698 9.3698 10.0273 10.0273 11.7214 11.7214 k = 0.3943 0.3906-0.1005 ( 4108 PWs) bands (ev): -46.8553 -46.8553 -46.8525 -46.8525 -18.9342 -18.9342 -18.9208 -18.9208 -18.7736 -18.7736 -18.7538 -18.7538 -18.7282 -18.7282 -18.7132 -18.7132 -13.7072 -13.7072 -11.7268 -11.7268 -1.3002 -1.3002 -1.1928 -1.1928 -1.1881 -1.1881 -0.1440 -0.1440 2.6838 2.6838 2.8201 2.8201 9.3270 9.3270 9.3437 9.3437 10.0111 10.0111 11.7811 11.7811 k = 0.4022 0.3985-0.1025 ( 4106 PWs) bands (ev): -46.8552 -46.8552 -46.8525 -46.8525 -18.9341 -18.9341 -18.9211 -18.9211 -18.7737 -18.7737 -18.7542 -18.7542 -18.7280 -18.7280 -18.7137 -18.7137 -13.7039 -13.7039 -11.7259 -11.7259 -1.2930 -1.2930 -1.2064 -1.2064 -1.1989 -1.1989 -0.1371 -0.1371 2.6777 2.6777 2.8147 2.8147 9.2865 9.2865 9.3304 9.3304 9.9916 9.9916 11.8466 11.8466 k = 0.4100 0.4063-0.1045 ( 4107 PWs) bands (ev): -46.8551 -46.8551 -46.8525 -46.8525 -18.9340 -18.9340 -18.9213 -18.9213 -18.7738 -18.7738 -18.7546 -18.7546 -18.7278 -18.7278 -18.7142 -18.7142 -13.7009 -13.7009 -11.7251 -11.7251 -1.2867 -1.2867 -1.2202 -1.2202 -1.2079 -1.2079 -0.1298 -0.1298 2.6723 2.6723 2.8102 2.8102 9.2470 9.2470 9.3173 9.3173 9.9702 9.9702 11.9165 11.9165 k = 0.4179 0.4141-0.1066 ( 4107 PWs) bands (ev): -46.8550 -46.8550 -46.8526 -46.8526 -18.9339 -18.9339 -18.9216 -18.9216 -18.7739 -18.7739 -18.7550 -18.7550 -18.7275 -18.7275 -18.7148 -18.7148 -13.6981 -13.6981 -11.7243 -11.7243 -1.2815 -1.2815 -1.2331 -1.2331 -1.2163 -1.2163 -0.1221 -0.1221 2.6676 2.6676 2.8066 2.8066 9.2087 9.2087 9.3042 9.3042 9.9483 9.9483 11.9894 11.9894 k = 0.4258 0.4219-0.1086 ( 4110 PWs) bands (ev): -46.8549 -46.8549 -46.8526 -46.8526 -18.9338 -18.9338 -18.9218 -18.9218 -18.7740 -18.7740 -18.7554 -18.7554 -18.7273 -18.7273 -18.7152 -18.7152 -13.6956 -13.6956 -11.7236 -11.7236 -1.2770 -1.2770 -1.2451 -1.2451 -1.2241 -1.2241 -0.1143 -0.1143 2.6635 2.6635 2.8039 2.8039 9.1717 9.1717 9.2913 9.2913 9.9268 9.9268 12.0640 12.0640 k = 0.4337 0.4297-0.1106 ( 4106 PWs) bands (ev): -46.8548 -46.8548 -46.8526 -46.8526 -18.9337 -18.9337 -18.9220 -18.9220 -18.7740 -18.7740 -18.7558 -18.7558 -18.7270 -18.7270 -18.7157 -18.7157 -13.6934 -13.6934 -11.7230 -11.7230 -1.2735 -1.2735 -1.2559 -1.2559 -1.2315 -1.2315 -0.1062 -0.1062 2.6600 2.6600 2.8021 2.8021 9.1360 9.1360 9.2787 9.2787 9.9065 9.9065 12.1395 12.1395 k = 0.4416 0.4375-0.1126 ( 4104 PWs) bands (ev): -46.8548 -46.8548 -46.8526 -46.8526 -18.9336 -18.9336 -18.9222 -18.9222 -18.7741 -18.7741 -18.7562 -18.7562 -18.7267 -18.7267 -18.7160 -18.7160 -13.6914 -13.6914 -11.7224 -11.7224 -1.2711 -1.2711 -1.2653 -1.2653 -1.2385 -1.2385 -0.0982 -0.0982 2.6571 2.6571 2.8012 2.8012 9.1017 9.1017 9.2664 9.2664 9.8879 9.8879 12.2149 12.2149 k = 0.4495 0.4453-0.1146 ( 4106 PWs) bands (ev): -46.8547 -46.8547 -46.8526 -46.8526 -18.9336 -18.9336 -18.9224 -18.9224 -18.7741 -18.7741 -18.7565 -18.7565 -18.7264 -18.7264 -18.7164 -18.7164 -13.6896 -13.6896 -11.7219 -11.7219 -1.2753 -1.2753 -1.2678 -1.2678 -1.2449 -1.2449 -0.0902 -0.0902 2.6549 2.6549 2.8013 2.8013 9.0689 9.0689 9.2545 9.2545 9.8715 9.8715 12.2894 12.2894 k = 0.4574 0.4531-0.1166 ( 4108 PWs) bands (ev): -46.8547 -46.8547 -46.8526 -46.8526 -18.9335 -18.9335 -18.9225 -18.9225 -18.7742 -18.7742 -18.7568 -18.7568 -18.7262 -18.7262 -18.7167 -18.7167 -13.6881 -13.6881 -11.7215 -11.7215 -1.2828 -1.2828 -1.2668 -1.2668 -1.2507 -1.2507 -0.0824 -0.0824 2.6532 2.6532 2.8022 2.8022 9.0376 9.0376 9.2433 9.2433 9.8576 9.8576 12.3622 12.3622 k = 0.4652 0.4610-0.1186 ( 4110 PWs) bands (ev): -46.8547 -46.8547 -46.8526 -46.8526 -18.9335 -18.9335 -18.9227 -18.9227 -18.7742 -18.7742 -18.7570 -18.7570 -18.7260 -18.7260 -18.7169 -18.7169 -13.6868 -13.6868 -11.7211 -11.7211 -1.2893 -1.2893 -1.2670 -1.2670 -1.2553 -1.2553 -0.0749 -0.0749 2.6522 2.6522 2.8041 2.8041 9.0079 9.0079 9.2329 9.2329 9.8463 9.8463 12.4321 12.4321 k = 0.4731 0.4688-0.1206 ( 4105 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9334 -18.9334 -18.9228 -18.9228 -18.7742 -18.7742 -18.7572 -18.7572 -18.7259 -18.7259 -18.7171 -18.7171 -13.6858 -13.6858 -11.7208 -11.7208 -1.2948 -1.2948 -1.2695 -1.2695 -1.2576 -1.2576 -0.0678 -0.0678 2.6518 2.6518 2.8068 2.8068 8.9797 8.9797 9.2234 9.2234 9.8377 9.8377 12.4981 12.4981 k = 0.4810 0.4766-0.1226 ( 4107 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9334 -18.9334 -18.9229 -18.9229 -18.7743 -18.7743 -18.7573 -18.7573 -18.7258 -18.7258 -18.7171 -18.7171 -13.6850 -13.6850 -11.7206 -11.7206 -1.2992 -1.2992 -1.2738 -1.2738 -1.2582 -1.2582 -0.0612 -0.0612 2.6519 2.6519 2.8105 2.8105 8.9532 8.9532 9.2151 9.2151 9.8319 9.8319 12.5587 12.5587 k = 0.4889 0.4844-0.1246 ( 4113 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9334 -18.9334 -18.9231 -18.9231 -18.7744 -18.7744 -18.7574 -18.7574 -18.7258 -18.7258 -18.7171 -18.7171 -13.6844 -13.6844 -11.7205 -11.7205 -1.3024 -1.3024 -1.2789 -1.2789 -1.2580 -1.2580 -0.0553 -0.0553 2.6528 2.6528 2.8150 2.8150 8.9284 8.9284 9.2080 9.2080 9.8288 9.8288 12.6119 12.6119 k = 0.4968 0.4922-0.1267 ( 4105 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9333 -18.9333 -18.9231 -18.9231 -18.7744 -18.7744 -18.7574 -18.7574 -18.7258 -18.7258 -18.7170 -18.7170 -13.6841 -13.6841 -11.7204 -11.7204 -1.3045 -1.3045 -1.2841 -1.2841 -1.2576 -1.2576 -0.0501 -0.0501 2.6542 2.6542 2.8204 2.8204 8.9053 8.9053 9.2023 9.2023 9.8285 9.8285 12.6555 12.6555 k = 0.5047 0.5000-0.1287 ( 4106 PWs) bands (ev): -46.8545 -46.8545 -46.8526 -46.8526 -18.9332 -18.9332 -18.9233 -18.9233 -18.7745 -18.7745 -18.7574 -18.7574 -18.7259 -18.7259 -18.7168 -18.7168 -13.6840 -13.6840 -11.7204 -11.7204 -1.3055 -1.3055 -1.2893 -1.2893 -1.2570 -1.2570 -0.0457 -0.0457 2.6563 2.6563 2.8267 2.8267 8.8839 8.8839 9.1981 9.1981 9.8308 9.8308 12.6871 12.6871 k = 0.5047 0.5000-0.1287 ( 4106 PWs) bands (ev): -46.8545 -46.8545 -46.8526 -46.8526 -18.9332 -18.9332 -18.9233 -18.9233 -18.7745 -18.7745 -18.7574 -18.7574 -18.7259 -18.7259 -18.7168 -18.7168 -13.6840 -13.6840 -11.7204 -11.7204 -1.3055 -1.3055 -1.2893 -1.2893 -1.2570 -1.2570 -0.0457 -0.0457 2.6563 2.6563 2.8267 2.8267 8.8839 8.8839 9.1981 9.1981 9.8308 9.8308 12.6871 12.6871 k = 0.5073 0.5026-0.1185 ( 4102 PWs) bands (ev): -46.8545 -46.8545 -46.8526 -46.8526 -18.9332 -18.9332 -18.9233 -18.9233 -18.7745 -18.7745 -18.7573 -18.7573 -18.7261 -18.7261 -18.7167 -18.7167 -13.6839 -13.6839 -11.7203 -11.7203 -1.3014 -1.3014 -1.2912 -1.2912 -1.2609 -1.2609 -0.0450 -0.0450 2.6752 2.6752 2.8058 2.8058 8.9486 8.9486 9.1419 9.1419 9.8301 9.8301 12.7480 12.7480 k = 0.5099 0.5052-0.1084 ( 4096 PWs) bands (ev): -46.8545 -46.8545 -46.8526 -46.8526 -18.9331 -18.9331 -18.9234 -18.9234 -18.7745 -18.7745 -18.7572 -18.7572 -18.7262 -18.7262 -18.7166 -18.7166 -13.6839 -13.6839 -11.7202 -11.7202 -1.2971 -1.2971 -1.2936 -1.2936 -1.2644 -1.2644 -0.0442 -0.0442 2.6947 2.6947 2.7847 2.7847 9.0164 9.0164 9.0856 9.0856 9.8295 9.8295 12.8081 12.8081 k = 0.5126 0.5079-0.0982 ( 4104 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9332 -18.9332 -18.9235 -18.9235 -18.7745 -18.7745 -18.7572 -18.7572 -18.7264 -18.7264 -18.7165 -18.7165 -13.6839 -13.6839 -11.7201 -11.7201 -1.2971 -1.2971 -1.2922 -1.2922 -1.2674 -1.2674 -0.0435 -0.0435 2.7147 2.7147 2.7635 2.7635 9.0295 9.0295 9.0872 9.0872 9.8288 9.8288 12.8669 12.8669 k = 0.5152 0.5105-0.0881 ( 4104 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9332 -18.9332 -18.9236 -18.9236 -18.7744 -18.7744 -18.7572 -18.7572 -18.7265 -18.7265 -18.7164 -18.7164 -13.6839 -13.6839 -11.7200 -11.7200 -1.3009 -1.3009 -1.2875 -1.2875 -1.2696 -1.2696 -0.0427 -0.0427 2.7337 2.7337 2.7437 2.7437 8.9746 8.9746 9.1605 9.1605 9.8279 9.8279 12.9237 12.9237 k = 0.5178 0.5131-0.0780 ( 4101 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9331 -18.9331 -18.9236 -18.9236 -18.7743 -18.7743 -18.7572 -18.7572 -18.7265 -18.7265 -18.7163 -18.7163 -13.6840 -13.6840 -11.7199 -11.7199 -1.3055 -1.3055 -1.2827 -1.2827 -1.2710 -1.2710 -0.0419 -0.0419 2.7206 2.7206 2.7562 2.7562 8.9211 8.9211 9.2359 9.2359 9.8268 9.8268 12.9779 12.9779 k = 0.5205 0.5157-0.0678 ( 4103 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9332 -18.9332 -18.9237 -18.9237 -18.7743 -18.7743 -18.7572 -18.7572 -18.7266 -18.7266 -18.7162 -18.7162 -13.6841 -13.6841 -11.7198 -11.7198 -1.3108 -1.3108 -1.2781 -1.2781 -1.2714 -1.2714 -0.0412 -0.0412 2.7003 2.7003 2.7762 2.7762 8.8695 8.8695 9.3131 9.3131 9.8254 9.8254 13.0290 13.0290 k = 0.5231 0.5183-0.0577 ( 4101 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9331 -18.9331 -18.9238 -18.9238 -18.7742 -18.7742 -18.7573 -18.7573 -18.7266 -18.7266 -18.7161 -18.7161 -13.6842 -13.6842 -11.7197 -11.7197 -1.3166 -1.3166 -1.2745 -1.2745 -1.2699 -1.2699 -0.0405 -0.0405 2.6804 2.6804 2.7961 2.7961 8.8201 8.8201 9.3917 9.3917 9.8238 9.8238 13.0762 13.0762 k = 0.5257 0.5209-0.0475 ( 4100 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9332 -18.9332 -18.9238 -18.9238 -18.7741 -18.7741 -18.7573 -18.7573 -18.7266 -18.7266 -18.7161 -18.7161 -13.6844 -13.6844 -11.7196 -11.7196 -1.3227 -1.3227 -1.2727 -1.2727 -1.2660 -1.2660 -0.0398 -0.0398 2.6612 2.6612 2.8154 2.8154 8.7735 8.7735 9.4711 9.4711 9.8219 9.8219 13.1185 13.1185 k = 0.5284 0.5235-0.0374 ( 4100 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9332 -18.9332 -18.9238 -18.9238 -18.7740 -18.7740 -18.7574 -18.7574 -18.7266 -18.7266 -18.7160 -18.7160 -13.6846 -13.6846 -11.7195 -11.7195 -1.3292 -1.3292 -1.2714 -1.2714 -1.2611 -1.2611 -0.0392 -0.0392 2.6429 2.6429 2.8339 2.8339 8.7298 8.7298 9.5509 9.5509 9.8198 9.8198 13.1175 13.1175 k = 0.5310 0.5261-0.0272 ( 4094 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9332 -18.9332 -18.9239 -18.9239 -18.7738 -18.7738 -18.7575 -18.7575 -18.7265 -18.7265 -18.7159 -18.7159 -13.6849 -13.6849 -11.7194 -11.7194 -1.3357 -1.3357 -1.2697 -1.2697 -1.2560 -1.2560 -0.0386 -0.0386 2.6257 2.6257 2.8513 2.8513 8.6894 8.6894 9.6306 9.6306 9.8176 9.8176 13.0550 13.0550 k = 0.5337 0.5287-0.0171 ( 4096 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9332 -18.9332 -18.9239 -18.9239 -18.7736 -18.7736 -18.7577 -18.7577 -18.7265 -18.7265 -18.7159 -18.7159 -13.6852 -13.6852 -11.7194 -11.7194 -1.3423 -1.3423 -1.2676 -1.2676 -1.2509 -1.2509 -0.0382 -0.0382 2.6096 2.6096 2.8676 2.8676 8.6527 8.6527 9.7094 9.7094 9.8153 9.8153 12.9916 12.9916 k = 0.5363 0.5313-0.0069 ( 4090 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9332 -18.9332 -18.9238 -18.9238 -18.7735 -18.7735 -18.7578 -18.7578 -18.7264 -18.7264 -18.7158 -18.7158 -13.6855 -13.6855 -11.7193 -11.7193 -1.3488 -1.3488 -1.2652 -1.2652 -1.2459 -1.2459 -0.0379 -0.0379 2.5949 2.5949 2.8824 2.8824 8.6199 8.6199 9.7867 9.7867 9.8130 9.8130 12.9284 12.9284 k = 0.5389 0.5340 0.0032 ( 4091 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9333 -18.9333 -18.9238 -18.9238 -18.7733 -18.7733 -18.7579 -18.7579 -18.7263 -18.7263 -18.7158 -18.7158 -13.6859 -13.6859 -11.7193 -11.7193 -1.3551 -1.3551 -1.2623 -1.2623 -1.2409 -1.2409 -0.0378 -0.0378 2.5815 2.5815 2.8957 2.8957 8.5912 8.5912 9.8108 9.8108 9.8618 9.8618 12.8661 12.8661 k = 0.5416 0.5366 0.0133 ( 4096 PWs) bands (ev): -46.8548 -46.8548 -46.8525 -46.8525 -18.9334 -18.9334 -18.9238 -18.9238 -18.7732 -18.7732 -18.7581 -18.7581 -18.7262 -18.7262 -18.7158 -18.7158 -13.6863 -13.6863 -11.7192 -11.7192 -1.3613 -1.3613 -1.2591 -1.2591 -1.2362 -1.2362 -0.0378 -0.0378 2.5696 2.5696 2.9072 2.9072 8.5668 8.5668 9.8089 9.8089 9.9337 9.9337 12.8056 12.8056 k = 0.5442 0.5392 0.0235 ( 4100 PWs) bands (ev): -46.8548 -46.8548 -46.8525 -46.8525 -18.9335 -18.9335 -18.9237 -18.9237 -18.7730 -18.7730 -18.7582 -18.7582 -18.7262 -18.7262 -18.7158 -18.7158 -13.6868 -13.6868 -11.7192 -11.7192 -1.3671 -1.3671 -1.2556 -1.2556 -1.2316 -1.2316 -0.0380 -0.0380 2.5593 2.5593 2.9168 2.9168 8.5469 8.5469 9.8074 9.8074 10.0015 10.0015 12.7481 12.7481 k = 0.5468 0.5418 0.0336 ( 4098 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9336 -18.9336 -18.9236 -18.9236 -18.7729 -18.7729 -18.7583 -18.7583 -18.7261 -18.7261 -18.7157 -18.7157 -13.6874 -13.6874 -11.7192 -11.7192 -1.3726 -1.3726 -1.2518 -1.2518 -1.2271 -1.2271 -0.0385 -0.0385 2.5507 2.5507 2.9245 2.9245 8.5317 8.5317 9.8063 9.8063 10.0641 10.0641 12.6946 12.6946 k = 0.5495 0.5444 0.0438 ( 4091 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9336 -18.9336 -18.9235 -18.9235 -18.7727 -18.7727 -18.7584 -18.7584 -18.7260 -18.7260 -18.7157 -18.7157 -13.6879 -13.6879 -11.7192 -11.7192 -1.3776 -1.3776 -1.2478 -1.2478 -1.2230 -1.2230 -0.0391 -0.0391 2.5439 2.5439 2.9301 2.9301 8.5213 8.5213 9.8057 9.8057 10.1204 10.1204 12.6464 12.6464 k = 0.5521 0.5470 0.0539 ( 4097 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9338 -18.9338 -18.9234 -18.9234 -18.7726 -18.7726 -18.7585 -18.7585 -18.7260 -18.7260 -18.7157 -18.7157 -13.6886 -13.6886 -11.7192 -11.7192 -1.3822 -1.3822 -1.2436 -1.2436 -1.2190 -1.2190 -0.0401 -0.0401 2.5388 2.5388 2.9336 2.9336 8.5157 8.5157 9.8059 9.8059 10.1691 10.1691 12.6048 12.6048 k = 0.5547 0.5496 0.0641 ( 4099 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9339 -18.9339 -18.9232 -18.9232 -18.7725 -18.7725 -18.7585 -18.7585 -18.7259 -18.7259 -18.7156 -18.7156 -13.6893 -13.6893 -11.7193 -11.7193 -1.3862 -1.3862 -1.2392 -1.2392 -1.2153 -1.2153 -0.0412 -0.0412 2.5356 2.5356 2.9349 2.9349 8.5151 8.5151 9.8068 9.8068 10.2092 10.2092 12.5710 12.5710 k = 0.5574 0.5522 0.0742 ( 4103 PWs) bands (ev): -46.8550 -46.8550 -46.8524 -46.8524 -18.9340 -18.9340 -18.9231 -18.9231 -18.7725 -18.7725 -18.7585 -18.7585 -18.7259 -18.7259 -18.7156 -18.7156 -13.6900 -13.6900 -11.7194 -11.7194 -1.3895 -1.3895 -1.2346 -1.2346 -1.2119 -1.2119 -0.0427 -0.0427 2.5342 2.5342 2.9341 2.9341 8.5194 8.5194 9.8086 9.8086 10.2394 10.2394 12.5461 12.5461 k = 0.5600 0.5548 0.0843 ( 4101 PWs) bands (ev): -46.8550 -46.8550 -46.8524 -46.8524 -18.9341 -18.9341 -18.9229 -18.9229 -18.7724 -18.7724 -18.7585 -18.7585 -18.7259 -18.7259 -18.7155 -18.7155 -13.6907 -13.6907 -11.7194 -11.7194 -1.3922 -1.3922 -1.2301 -1.2301 -1.2087 -1.2087 -0.0445 -0.0445 2.5347 2.5347 2.9311 2.9311 8.5286 8.5286 9.8112 9.8112 10.2590 10.2590 12.5311 12.5311 k = 0.5600 0.5548 0.0843 ( 4101 PWs) bands (ev): -46.8550 -46.8550 -46.8524 -46.8524 -18.9341 -18.9341 -18.9229 -18.9229 -18.7724 -18.7724 -18.7585 -18.7585 -18.7259 -18.7259 -18.7155 -18.7155 -13.6907 -13.6907 -11.7194 -11.7194 -1.3922 -1.3922 -1.2301 -1.2301 -1.2087 -1.2087 -0.0445 -0.0445 2.5347 2.5347 2.9311 2.9311 8.5286 8.5286 9.8112 9.8112 10.2590 10.2590 12.5311 12.5311 k = 0.5559 0.5508 0.0939 ( 4101 PWs) bands (ev): -46.8550 -46.8550 -46.8524 -46.8524 -18.9341 -18.9341 -18.9229 -18.9229 -18.7723 -18.7723 -18.7587 -18.7587 -18.7257 -18.7257 -18.7159 -18.7159 -13.6898 -13.6898 -11.7193 -11.7193 -1.3838 -1.3838 -1.2329 -1.2329 -1.2129 -1.2129 -0.0483 -0.0483 2.5303 2.5303 2.9254 2.9254 8.5367 8.5367 9.8009 9.8009 10.2645 10.2645 12.5203 12.5203 k = 0.5518 0.5467 0.1034 ( 4098 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9340 -18.9340 -18.9230 -18.9230 -18.7722 -18.7722 -18.7589 -18.7589 -18.7254 -18.7254 -18.7164 -18.7164 -13.6890 -13.6890 -11.7192 -11.7192 -1.3753 -1.3753 -1.2360 -1.2360 -1.2171 -1.2171 -0.0518 -0.0518 2.5281 2.5281 2.9188 2.9188 8.5471 8.5471 9.7921 9.7921 10.2570 10.2570 12.5220 12.5220 k = 0.5477 0.5427 0.1129 ( 4095 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9339 -18.9339 -18.9230 -18.9230 -18.7721 -18.7721 -18.7590 -18.7590 -18.7252 -18.7252 -18.7168 -18.7168 -13.6882 -13.6882 -11.7191 -11.7191 -1.3667 -1.3667 -1.2393 -1.2393 -1.2215 -1.2215 -0.0549 -0.0549 2.5280 2.5280 2.9115 2.9115 8.5598 8.5598 9.7850 9.7850 10.2366 10.2366 12.5360 12.5360 k = 0.5436 0.5386 0.1225 ( 4099 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9338 -18.9338 -18.9230 -18.9230 -18.7721 -18.7721 -18.7591 -18.7591 -18.7251 -18.7251 -18.7171 -18.7171 -13.6875 -13.6875 -11.7191 -11.7191 -1.3581 -1.3581 -1.2430 -1.2430 -1.2259 -1.2259 -0.0575 -0.0575 2.5299 2.5299 2.9034 2.9034 8.5746 8.5746 9.7796 9.7796 10.2039 10.2039 12.5618 12.5618 k = 0.5395 0.5345 0.1320 ( 4100 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9338 -18.9338 -18.9231 -18.9231 -18.7721 -18.7721 -18.7592 -18.7592 -18.7249 -18.7249 -18.7174 -18.7174 -13.6868 -13.6868 -11.7190 -11.7190 -1.3497 -1.3497 -1.2468 -1.2468 -1.2305 -1.2305 -0.0596 -0.0596 2.5340 2.5340 2.8945 2.8945 8.5914 8.5914 9.7759 9.7759 10.1601 10.1601 12.5984 12.5984 k = 0.5354 0.5305 0.1415 ( 4094 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9337 -18.9337 -18.9231 -18.9231 -18.7722 -18.7722 -18.7591 -18.7591 -18.7248 -18.7248 -18.7176 -18.7176 -13.6862 -13.6862 -11.7190 -11.7190 -1.3415 -1.3415 -1.2508 -1.2508 -1.2351 -1.2351 -0.0612 -0.0612 2.5401 2.5401 2.8850 2.8850 8.6101 8.6101 9.7739 9.7739 10.1065 10.1065 12.6442 12.6442 k = 0.5313 0.5264 0.1511 ( 4094 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9336 -18.9336 -18.9231 -18.9231 -18.7723 -18.7723 -18.7590 -18.7590 -18.7248 -18.7248 -18.7178 -18.7178 -13.6856 -13.6856 -11.7190 -11.7190 -1.3337 -1.3337 -1.2549 -1.2549 -1.2398 -1.2398 -0.0621 -0.0621 2.5481 2.5481 2.8748 2.8748 8.6307 8.6307 9.7733 9.7733 10.0445 10.0445 12.6976 12.6976 k = 0.5272 0.5224 0.1606 ( 4096 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9335 -18.9335 -18.9232 -18.9232 -18.7725 -18.7725 -18.7589 -18.7589 -18.7249 -18.7249 -18.7178 -18.7178 -13.6851 -13.6851 -11.7190 -11.7190 -1.3261 -1.3261 -1.2591 -1.2591 -1.2446 -1.2446 -0.0625 -0.0625 2.5581 2.5581 2.8640 2.8640 8.6530 8.6530 9.7741 9.7741 9.9758 9.9758 12.7571 12.7571 k = 0.5231 0.5183 0.1701 ( 4100 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9335 -18.9335 -18.9232 -18.9232 -18.7726 -18.7726 -18.7588 -18.7588 -18.7250 -18.7250 -18.7178 -18.7178 -13.6847 -13.6847 -11.7190 -11.7190 -1.3190 -1.3190 -1.2633 -1.2633 -1.2493 -1.2493 -0.0623 -0.0623 2.5699 2.5699 2.8527 2.8527 8.6772 8.6772 9.7762 9.7762 9.9017 9.9017 12.8210 12.8210 k = 0.5190 0.5142 0.1797 ( 4100 PWs) bands (ev): -46.8547 -46.8547 -46.8524 -46.8524 -18.9335 -18.9335 -18.9233 -18.9233 -18.7728 -18.7728 -18.7586 -18.7586 -18.7251 -18.7251 -18.7178 -18.7178 -13.6844 -13.6844 -11.7191 -11.7191 -1.3124 -1.3124 -1.2674 -1.2674 -1.2540 -1.2540 -0.0616 -0.0616 2.5835 2.5835 2.8408 2.8408 8.7031 8.7031 9.7794 9.7794 9.8236 9.8236 12.8877 12.8877 k = 0.5149 0.5102 0.1892 ( 4108 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9335 -18.9335 -18.9233 -18.9233 -18.7731 -18.7731 -18.7585 -18.7585 -18.7253 -18.7253 -18.7177 -18.7177 -13.6841 -13.6841 -11.7191 -11.7191 -1.3063 -1.3063 -1.2714 -1.2714 -1.2587 -1.2587 -0.0603 -0.0603 2.5986 2.5986 2.8286 2.8286 8.7308 8.7308 9.7426 9.7426 9.7835 9.7835 12.9008 12.9008 k = 0.5108 0.5061 0.1987 ( 4108 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9334 -18.9334 -18.9234 -18.9234 -18.7733 -18.7733 -18.7583 -18.7583 -18.7255 -18.7255 -18.7176 -18.7176 -13.6839 -13.6839 -11.7192 -11.7192 -1.3010 -1.3010 -1.2752 -1.2752 -1.2632 -1.2632 -0.0585 -0.0585 2.6153 2.6153 2.8159 2.8159 8.7602 8.7602 9.6598 9.6598 9.7885 9.7885 12.9068 12.9068 k = 0.5067 0.5021 0.2083 ( 4106 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9334 -18.9334 -18.9234 -18.9234 -18.7735 -18.7735 -18.7581 -18.7581 -18.7257 -18.7257 -18.7174 -18.7174 -13.6837 -13.6837 -11.7193 -11.7193 -1.2965 -1.2965 -1.2783 -1.2783 -1.2677 -1.2677 -0.0564 -0.0564 2.6334 2.6334 2.8029 2.8029 8.7914 8.7914 9.5761 9.5761 9.7940 9.7940 12.9146 12.9146 k = 0.5026 0.4980 0.2178 ( 4100 PWs) bands (ev): -46.8546 -46.8546 -46.8525 -46.8525 -18.9333 -18.9333 -18.9234 -18.9234 -18.7737 -18.7737 -18.7578 -18.7578 -18.7259 -18.7259 -18.7172 -18.7172 -13.6836 -13.6836 -11.7194 -11.7194 -1.2937 -1.2937 -1.2801 -1.2801 -1.2718 -1.2718 -0.0540 -0.0540 2.6527 2.6527 2.7897 2.7897 8.8243 8.8243 9.4922 9.4922 9.7999 9.7999 12.9232 12.9232 k = 0.4985 0.4939 0.2273 ( 4107 PWs) bands (ev): -46.8546 -46.8546 -46.8525 -46.8525 -18.9333 -18.9333 -18.9235 -18.9235 -18.7739 -18.7739 -18.7577 -18.7577 -18.7261 -18.7261 -18.7171 -18.7171 -13.6836 -13.6836 -11.7195 -11.7195 -1.2933 -1.2933 -1.2801 -1.2801 -1.2754 -1.2754 -0.0513 -0.0513 2.6731 2.6731 2.7763 2.7763 8.8589 8.8589 9.4089 9.4089 9.8062 9.8062 12.9310 12.9310 k = 0.4944 0.4899 0.2368 ( 4113 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9333 -18.9333 -18.9235 -18.9235 -18.7741 -18.7741 -18.7575 -18.7575 -18.7262 -18.7262 -18.7169 -18.7169 -13.6836 -13.6836 -11.7196 -11.7196 -1.2950 -1.2950 -1.2811 -1.2811 -1.2759 -1.2759 -0.0486 -0.0486 2.6943 2.6943 2.7628 2.7628 8.8951 8.8951 9.3269 9.3269 9.8128 9.8128 12.9354 12.9354 k = 0.4903 0.4858 0.2464 ( 4111 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9332 -18.9332 -18.9235 -18.9235 -18.7743 -18.7743 -18.7574 -18.7574 -18.7264 -18.7264 -18.7167 -18.7167 -13.6837 -13.6837 -11.7198 -11.7198 -1.2973 -1.2973 -1.2843 -1.2843 -1.2732 -1.2732 -0.0459 -0.0459 2.7162 2.7162 2.7495 2.7495 8.9331 8.9331 9.2466 9.2466 9.8195 9.8195 12.9331 12.9331 k = 0.4862 0.4817 0.2559 ( 4107 PWs) bands (ev): -46.8546 -46.8546 -46.8526 -46.8526 -18.9332 -18.9332 -18.9236 -18.9236 -18.7744 -18.7744 -18.7572 -18.7572 -18.7265 -18.7265 -18.7165 -18.7165 -13.6839 -13.6839 -11.7199 -11.7199 -1.2997 -1.2997 -1.2875 -1.2875 -1.2701 -1.2701 -0.0434 -0.0434 2.7333 2.7333 2.7417 2.7417 8.9726 8.9726 9.1686 9.1686 9.8263 9.8263 12.9204 12.9204 k = 0.4821 0.4777 0.2654 ( 4098 PWs) bands (ev): -46.8545 -46.8545 -46.8526 -46.8526 -18.9331 -18.9331 -18.9235 -18.9235 -18.7745 -18.7745 -18.7571 -18.7571 -18.7265 -18.7265 -18.7162 -18.7162 -13.6841 -13.6841 -11.7201 -11.7201 -1.3019 -1.3019 -1.2904 -1.2904 -1.2669 -1.2669 -0.0412 -0.0412 2.7220 2.7220 2.7628 2.7628 9.0135 9.0135 9.0933 9.0933 9.8332 9.8332 12.8949 12.8949 k = 0.4780 0.4736 0.2750 ( 4102 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9331 -18.9331 -18.9236 -18.9236 -18.7746 -18.7746 -18.7570 -18.7570 -18.7266 -18.7266 -18.7161 -18.7161 -13.6844 -13.6844 -11.7204 -11.7204 -1.3039 -1.3039 -1.2930 -1.2930 -1.2638 -1.2638 -0.0394 -0.0394 2.7091 2.7091 2.7859 2.7859 9.0211 9.0211 9.0560 9.0560 9.8401 9.8401 12.8564 12.8564 k = 0.4739 0.4696 0.2845 ( 4102 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9330 -18.9330 -18.9236 -18.9236 -18.7748 -18.7748 -18.7569 -18.7569 -18.7266 -18.7266 -18.7159 -18.7159 -13.6847 -13.6847 -11.7206 -11.7206 -1.3056 -1.3056 -1.2952 -1.2952 -1.2605 -1.2605 -0.0382 -0.0382 2.6965 2.6965 2.8091 2.8091 8.9526 8.9526 9.0996 9.0996 9.8471 9.8471 12.8071 12.8071 k = 0.4698 0.4655 0.2940 ( 4103 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9330 -18.9330 -18.9237 -18.9237 -18.7749 -18.7749 -18.7568 -18.7568 -18.7266 -18.7266 -18.7157 -18.7157 -13.6851 -13.6851 -11.7209 -11.7209 -1.3070 -1.3070 -1.2970 -1.2970 -1.2573 -1.2573 -0.0377 -0.0377 2.6842 2.6842 2.8322 2.8322 8.8880 8.8880 9.1442 9.1442 9.8541 9.8541 12.7503 12.7503 k = 0.4657 0.4614 0.3036 ( 4103 PWs) bands (ev): -46.8545 -46.8545 -46.8528 -46.8528 -18.9330 -18.9330 -18.9237 -18.9237 -18.7749 -18.7749 -18.7567 -18.7567 -18.7266 -18.7266 -18.7156 -18.7156 -13.6856 -13.6856 -11.7212 -11.7212 -1.3080 -1.3080 -1.2983 -1.2983 -1.2539 -1.2539 -0.0380 -0.0380 2.6725 2.6725 2.8548 2.8548 8.8276 8.8276 9.1898 9.1898 9.8611 9.8611 12.6888 12.6888 k = 0.4616 0.4574 0.3131 ( 4101 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9329 -18.9329 -18.9237 -18.9237 -18.7750 -18.7750 -18.7566 -18.7566 -18.7266 -18.7266 -18.7154 -18.7154 -13.6861 -13.6861 -11.7216 -11.7216 -1.3086 -1.3086 -1.2992 -1.2992 -1.2504 -1.2504 -0.0392 -0.0392 2.6614 2.6614 2.8769 2.8769 8.7719 8.7719 9.2362 9.2362 9.8681 9.8681 12.6248 12.6248 k = 0.4575 0.4533 0.3226 ( 4099 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9328 -18.9328 -18.9237 -18.9237 -18.7750 -18.7750 -18.7566 -18.7566 -18.7266 -18.7266 -18.7152 -18.7152 -13.6867 -13.6867 -11.7219 -11.7219 -1.3088 -1.3088 -1.2994 -1.2994 -1.2466 -1.2466 -0.0414 -0.0414 2.6510 2.6510 2.8982 2.8982 8.7210 8.7210 9.2831 9.2831 9.8751 9.8751 12.5599 12.5599 k = 0.4534 0.4493 0.3322 ( 4100 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9328 -18.9328 -18.9238 -18.9238 -18.7750 -18.7750 -18.7565 -18.7565 -18.7266 -18.7266 -18.7151 -18.7151 -13.6874 -13.6874 -11.7224 -11.7224 -1.3086 -1.3086 -1.2992 -1.2992 -1.2426 -1.2426 -0.0447 -0.0447 2.6414 2.6414 2.9184 2.9184 8.6752 8.6752 9.3303 9.3303 9.8818 9.8818 12.4954 12.4954 k = 0.4493 0.4452 0.3417 ( 4096 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9327 -18.9327 -18.9238 -18.9238 -18.7750 -18.7750 -18.7564 -18.7564 -18.7265 -18.7265 -18.7149 -18.7149 -13.6881 -13.6881 -11.7228 -11.7228 -1.3080 -1.3080 -1.2984 -1.2984 -1.2384 -1.2384 -0.0491 -0.0491 2.6327 2.6327 2.9375 2.9375 8.6348 8.6348 9.3778 9.3778 9.8883 9.8883 12.4322 12.4322 k = 0.4493 0.4452 0.3417 ( 4096 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9327 -18.9327 -18.9238 -18.9238 -18.7750 -18.7750 -18.7564 -18.7564 -18.7265 -18.7265 -18.7149 -18.7149 -13.6881 -13.6881 -11.7228 -11.7228 -1.3080 -1.3080 -1.2984 -1.2984 -1.2384 -1.2384 -0.0491 -0.0491 2.6327 2.6327 2.9375 2.9375 8.6348 8.6348 9.3778 9.3778 9.8883 9.8883 12.4322 12.4322 k = 0.4413 0.4373 0.3417 ( 4093 PWs) bands (ev): -46.8544 -46.8544 -46.8530 -46.8530 -18.9325 -18.9325 -18.9240 -18.9240 -18.7751 -18.7751 -18.7560 -18.7560 -18.7268 -18.7268 -18.7144 -18.7144 -13.6895 -13.6895 -11.7235 -11.7235 -1.3108 -1.3108 -1.2906 -1.2906 -1.2368 -1.2368 -0.0543 -0.0543 2.6428 2.6428 2.9448 2.9448 8.6396 8.6396 9.3776 9.3776 9.9039 9.9039 12.4055 12.4055 k = 0.4333 0.4293 0.3417 ( 4096 PWs) bands (ev): -46.8543 -46.8543 -46.8531 -46.8531 -18.9324 -18.9324 -18.9242 -18.9242 -18.7752 -18.7752 -18.7556 -18.7556 -18.7271 -18.7271 -18.7139 -18.7139 -13.6912 -13.6912 -11.7243 -11.7243 -1.3134 -1.3134 -1.2818 -1.2818 -1.2347 -1.2347 -0.0608 -0.0608 2.6537 2.6537 2.9530 2.9530 8.6459 8.6459 9.3786 9.3786 9.9213 9.9213 12.3749 12.3749 k = 0.4253 0.4214 0.3417 ( 4096 PWs) bands (ev): -46.8543 -46.8543 -46.8531 -46.8531 -18.9322 -18.9322 -18.9244 -18.9244 -18.7752 -18.7752 -18.7552 -18.7552 -18.7274 -18.7274 -18.7133 -18.7133 -13.6930 -13.6930 -11.7252 -11.7252 -1.3158 -1.3158 -1.2718 -1.2718 -1.2323 -1.2323 -0.0685 -0.0685 2.6656 2.6656 2.9619 2.9619 8.6538 8.6538 9.3805 9.3805 9.9403 9.9403 12.3411 12.3411 k = 0.4173 0.4134 0.3417 ( 4097 PWs) bands (ev): -46.8543 -46.8543 -46.8532 -46.8532 -18.9320 -18.9320 -18.9246 -18.9246 -18.7753 -18.7753 -18.7548 -18.7548 -18.7276 -18.7276 -18.7127 -18.7127 -13.6952 -13.6952 -11.7263 -11.7263 -1.3180 -1.3180 -1.2608 -1.2608 -1.2293 -1.2293 -0.0774 -0.0774 2.6783 2.6783 2.9717 2.9717 8.6631 8.6631 9.3832 9.3832 9.9607 9.9607 12.3046 12.3046 k = 0.4092 0.4055 0.3417 ( 4101 PWs) bands (ev): -46.8543 -46.8543 -46.8533 -46.8533 -18.9317 -18.9317 -18.9248 -18.9248 -18.7752 -18.7752 -18.7544 -18.7544 -18.7278 -18.7278 -18.7122 -18.7122 -13.6975 -13.6975 -11.7275 -11.7275 -1.3200 -1.3200 -1.2487 -1.2487 -1.2258 -1.2258 -0.0875 -0.0875 2.6919 2.6919 2.9822 2.9822 8.6740 8.6740 9.3865 9.3865 9.9820 9.9820 12.2661 12.2661 k = 0.4012 0.3975 0.3417 ( 4107 PWs) bands (ev): -46.8543 -46.8543 -46.8534 -46.8534 -18.9315 -18.9315 -18.9251 -18.9251 -18.7752 -18.7752 -18.7540 -18.7540 -18.7280 -18.7280 -18.7116 -18.7116 -13.7001 -13.7001 -11.7288 -11.7288 -1.3219 -1.3219 -1.2357 -1.2357 -1.2217 -1.2217 -0.0986 -0.0986 2.7063 2.7063 2.9934 2.9934 8.6862 8.6862 9.3903 9.3903 10.0037 10.0037 12.2259 12.2259 k = 0.3932 0.3896 0.3417 ( 4109 PWs) bands (ev): -46.8543 -46.8543 -46.8535 -46.8535 -18.9312 -18.9312 -18.9253 -18.9253 -18.7751 -18.7751 -18.7536 -18.7536 -18.7282 -18.7282 -18.7111 -18.7111 -13.7029 -13.7029 -11.7302 -11.7302 -1.3235 -1.3235 -1.2225 -1.2225 -1.2160 -1.2160 -0.1108 -0.1108 2.7215 2.7215 3.0054 3.0054 8.6999 8.6999 9.3946 9.3946 10.0253 10.0253 12.1842 12.1842 k = 0.3852 0.3816 0.3417 ( 4109 PWs) bands (ev): -46.8543 -46.8543 -46.8535 -46.8535 -18.9309 -18.9309 -18.9256 -18.9256 -18.7750 -18.7750 -18.7533 -18.7533 -18.7283 -18.7283 -18.7104 -18.7104 -13.7059 -13.7059 -11.7318 -11.7318 -1.3250 -1.3250 -1.2136 -1.2136 -1.2044 -1.2044 -0.1241 -0.1241 2.7376 2.7376 3.0181 3.0181 8.7150 8.7150 9.3991 9.3991 10.0460 10.0460 12.1412 12.1412 k = 0.3771 0.3737 0.3417 ( 4107 PWs) bands (ev): -46.8543 -46.8543 -46.8536 -46.8536 -18.9306 -18.9306 -18.9258 -18.9258 -18.7748 -18.7748 -18.7529 -18.7529 -18.7283 -18.7283 -18.7098 -18.7098 -13.7092 -13.7092 -11.7335 -11.7335 -1.3264 -1.3264 -1.2071 -1.2071 -1.1886 -1.1886 -0.1384 -0.1384 2.7545 2.7545 3.0315 3.0315 8.7315 8.7315 9.4039 9.4039 10.0650 10.0650 12.0966 12.0966 k = 0.3691 0.3657 0.3417 ( 4109 PWs) bands (ev): -46.8544 -46.8544 -46.8537 -46.8537 -18.9303 -18.9303 -18.9260 -18.9260 -18.7745 -18.7745 -18.7526 -18.7526 -18.7282 -18.7282 -18.7092 -18.7092 -13.7126 -13.7126 -11.7353 -11.7353 -1.3277 -1.3277 -1.2002 -1.2002 -1.1715 -1.1715 -0.1535 -0.1535 2.7721 2.7721 3.0455 3.0455 8.7493 8.7493 9.4088 9.4088 10.0812 10.0812 12.0501 12.0501 k = 0.3611 0.3578 0.3417 ( 4108 PWs) bands (ev): -46.8544 -46.8544 -46.8537 -46.8537 -18.9299 -18.9299 -18.9262 -18.9262 -18.7742 -18.7742 -18.7524 -18.7524 -18.7281 -18.7281 -18.7086 -18.7086 -13.7163 -13.7163 -11.7373 -11.7373 -1.3288 -1.3288 -1.1926 -1.1926 -1.1533 -1.1533 -0.1696 -0.1696 2.7905 2.7905 3.0602 3.0602 8.7685 8.7685 9.4140 9.4140 10.0936 10.0936 12.0014 12.0014 k = 0.3531 0.3498 0.3417 ( 4100 PWs) bands (ev): -46.8545 -46.8545 -46.8537 -46.8537 -18.9296 -18.9296 -18.9263 -18.9263 -18.7739 -18.7739 -18.7521 -18.7521 -18.7280 -18.7280 -18.7080 -18.7080 -13.7202 -13.7202 -11.7394 -11.7394 -1.3299 -1.3299 -1.1842 -1.1842 -1.1342 -1.1342 -0.1865 -0.1865 2.8097 2.8097 3.0755 3.0755 8.7889 8.7889 9.4193 9.4193 10.1010 10.1010 11.9499 11.9499 k = 0.3450 0.3419 0.3417 ( 4098 PWs) bands (ev): -46.8546 -46.8546 -46.8537 -46.8537 -18.9293 -18.9293 -18.9264 -18.9264 -18.7735 -18.7735 -18.7519 -18.7519 -18.7278 -18.7278 -18.7073 -18.7073 -13.7244 -13.7244 -11.7417 -11.7417 -1.3309 -1.3309 -1.1749 -1.1749 -1.1141 -1.1141 -0.2041 -0.2041 2.8295 2.8295 3.0913 3.0913 8.8105 8.8105 9.4247 9.4247 10.1023 10.1023 11.8952 11.8952 k = 0.3370 0.3339 0.3417 ( 4096 PWs) bands (ev): -46.8548 -46.8548 -46.8537 -46.8537 -18.9291 -18.9291 -18.9264 -18.9264 -18.7731 -18.7731 -18.7518 -18.7518 -18.7275 -18.7275 -18.7067 -18.7067 -13.7287 -13.7287 -11.7441 -11.7441 -1.3318 -1.3318 -1.1646 -1.1646 -1.0933 -1.0933 -0.2224 -0.2224 2.8500 2.8500 3.1076 3.1076 8.8334 8.8334 9.4302 9.4302 10.0964 10.0964 11.8373 11.8373 k = 0.3290 0.3260 0.3417 ( 4094 PWs) bands (ev): -46.8549 -46.8549 -46.8537 -46.8537 -18.9290 -18.9290 -18.9263 -18.9263 -18.7726 -18.7726 -18.7517 -18.7517 -18.7272 -18.7272 -18.7060 -18.7060 -13.7333 -13.7333 -11.7467 -11.7467 -1.3326 -1.3326 -1.1533 -1.1533 -1.0716 -1.0716 -0.2413 -0.2413 2.8712 2.8712 3.1245 3.1245 8.8574 8.8574 9.4359 9.4359 10.0822 10.0822 11.7762 11.7762 k = 0.3210 0.3180 0.3417 ( 4094 PWs) bands (ev): -46.8550 -46.8550 -46.8537 -46.8537 -18.9289 -18.9289 -18.9261 -18.9261 -18.7721 -18.7721 -18.7516 -18.7516 -18.7268 -18.7268 -18.7054 -18.7054 -13.7381 -13.7381 -11.7494 -11.7494 -1.3334 -1.3334 -1.1411 -1.1411 -1.0491 -1.0491 -0.2608 -0.2608 2.8930 2.8930 3.1418 3.1418 8.8825 8.8825 9.4417 9.4417 10.0591 10.0591 11.7127 11.7127 k = 0.3129 0.3101 0.3417 ( 4092 PWs) bands (ev): -46.8552 -46.8552 -46.8536 -46.8536 -18.9290 -18.9290 -18.9257 -18.9257 -18.7715 -18.7715 -18.7516 -18.7516 -18.7264 -18.7264 -18.7047 -18.7047 -13.7430 -13.7430 -11.7522 -11.7522 -1.3341 -1.3341 -1.1278 -1.1278 -1.0259 -1.0259 -0.2808 -0.2808 2.9153 2.9153 3.1595 3.1595 8.9087 8.9087 9.4476 9.4476 10.0265 10.0265 11.6476 11.6476 k = 0.3049 0.3021 0.3417 ( 4086 PWs) bands (ev): -46.8554 -46.8554 -46.8536 -46.8536 -18.9290 -18.9290 -18.9253 -18.9253 -18.7709 -18.7709 -18.7516 -18.7516 -18.7259 -18.7259 -18.7041 -18.7041 -13.7481 -13.7481 -11.7552 -11.7552 -1.3347 -1.3347 -1.1136 -1.1136 -1.0021 -1.0021 -0.3011 -0.3011 2.9382 2.9382 3.1776 3.1776 8.9359 8.9359 9.4536 9.4536 9.9845 9.9845 11.5819 11.5819 k = 0.2969 0.2942 0.3417 ( 4088 PWs) bands (ev): -46.8555 -46.8555 -46.8536 -46.8536 -18.9292 -18.9292 -18.9248 -18.9248 -18.7702 -18.7702 -18.7516 -18.7516 -18.7255 -18.7255 -18.7034 -18.7034 -13.7535 -13.7535 -11.7584 -11.7584 -1.3352 -1.3352 -1.0983 -1.0983 -0.9776 -0.9776 -0.3218 -0.3218 2.9615 2.9615 3.1961 3.1961 8.9641 8.9641 9.4597 9.4597 9.9331 9.9331 11.5163 11.5163 k = 0.2889 0.2862 0.3417 ( 4084 PWs) bands (ev): -46.8557 -46.8557 -46.8535 -46.8535 -18.9293 -18.9293 -18.9242 -18.9242 -18.7695 -18.7695 -18.7516 -18.7516 -18.7250 -18.7250 -18.7027 -18.7027 -13.7589 -13.7589 -11.7616 -11.7616 -1.3357 -1.3357 -1.0821 -1.0821 -0.9525 -0.9525 -0.3427 -0.3427 2.9853 2.9853 3.2148 3.2148 8.9932 8.9932 9.4657 9.4657 9.8731 9.8731 11.4515 11.4515 k = 0.2808 0.2783 0.3417 ( 4082 PWs) bands (ev): -46.8559 -46.8559 -46.8535 -46.8535 -18.9294 -18.9294 -18.9236 -18.9236 -18.7688 -18.7688 -18.7517 -18.7517 -18.7245 -18.7245 -18.7020 -18.7020 -13.7646 -13.7646 -11.7650 -11.7650 -1.3360 -1.3360 -1.0650 -1.0650 -0.9269 -0.9269 -0.3638 -0.3638 3.0094 3.0094 3.2339 3.2339 9.0232 9.0232 9.4714 9.4714 9.8056 9.8056 11.3879 11.3879 k = 0.2728 0.2703 0.3417 ( 4083 PWs) bands (ev): -46.8561 -46.8561 -46.8534 -46.8534 -18.9296 -18.9296 -18.9230 -18.9230 -18.7680 -18.7680 -18.7518 -18.7518 -18.7240 -18.7240 -18.7013 -18.7013 -13.7704 -13.7704 -11.7685 -11.7685 -1.3362 -1.3362 -1.0471 -1.0471 -0.9008 -0.9008 -0.3849 -0.3849 3.0339 3.0339 3.2531 3.2531 9.0540 9.0540 9.4762 9.4762 9.7320 9.7320 11.3257 11.3257 k = 0.2648 0.2624 0.3417 ( 4089 PWs) bands (ev): -46.8563 -46.8563 -46.8534 -46.8534 -18.9297 -18.9297 -18.9224 -18.9224 -18.7673 -18.7673 -18.7518 -18.7518 -18.7235 -18.7235 -18.7007 -18.7007 -13.7763 -13.7763 -11.7722 -11.7722 -1.3363 -1.3363 -1.0284 -1.0284 -0.8742 -0.8742 -0.4059 -0.4059 3.0586 3.0586 3.2724 3.2724 9.0856 9.0856 9.4782 9.4782 9.6554 9.6554 11.2650 11.2650 k = 0.2568 0.2544 0.3417 ( 4093 PWs) bands (ev): -46.8565 -46.8565 -46.8533 -46.8533 -18.9298 -18.9298 -18.9218 -18.9218 -18.7665 -18.7665 -18.7519 -18.7519 -18.7231 -18.7231 -18.7000 -18.7000 -13.7823 -13.7823 -11.7759 -11.7759 -1.3363 -1.3363 -1.0090 -1.0090 -0.8474 -0.8474 -0.4268 -0.4268 3.0834 3.0834 3.2919 3.2919 9.1178 9.1178 9.4695 9.4695 9.5846 9.5846 11.2058 11.2058 k = 0.2487 0.2465 0.3417 ( 4090 PWs) bands (ev): -46.8566 -46.8566 -46.8533 -46.8533 -18.9299 -18.9299 -18.9211 -18.9211 -18.7657 -18.7657 -18.7519 -18.7519 -18.7226 -18.7226 -18.6993 -18.6993 -13.7884 -13.7884 -11.7798 -11.7798 -1.3360 -1.3360 -0.9891 -0.9891 -0.8202 -0.8202 -0.4473 -0.4473 3.1085 3.1085 3.3114 3.3114 9.1507 9.1507 9.4262 9.4262 9.5446 9.5446 11.1479 11.1479 k = 0.2407 0.2385 0.3417 ( 4090 PWs) bands (ev): -46.8568 -46.8568 -46.8532 -46.8532 -18.9299 -18.9299 -18.9204 -18.9204 -18.7648 -18.7648 -18.7520 -18.7520 -18.7221 -18.7221 -18.6985 -18.6985 -13.7947 -13.7947 -11.7837 -11.7837 -1.3355 -1.3355 -0.9689 -0.9689 -0.7928 -0.7928 -0.4672 -0.4672 3.1335 3.1335 3.3310 3.3310 9.1841 9.1841 9.3475 9.3475 9.5374 9.5374 11.0912 11.0912 k = 0.2327 0.2306 0.3417 ( 4090 PWs) bands (ev): -46.8570 -46.8570 -46.8532 -46.8532 -18.9300 -18.9300 -18.9197 -18.9197 -18.7640 -18.7640 -18.7520 -18.7520 -18.7217 -18.7217 -18.6978 -18.6978 -13.8010 -13.8010 -11.7877 -11.7877 -1.3349 -1.3349 -0.9486 -0.9486 -0.7651 -0.7651 -0.4864 -0.4864 3.1586 3.1586 3.3505 3.3505 9.2181 9.2181 9.2562 9.2562 9.5409 9.5409 11.0356 11.0356 k = 0.2247 0.2226 0.3417 ( 4088 PWs) bands (ev): -46.8572 -46.8572 -46.8531 -46.8531 -18.9300 -18.9300 -18.9190 -18.9190 -18.7632 -18.7632 -18.7519 -18.7519 -18.7213 -18.7213 -18.6971 -18.6971 -13.8073 -13.8073 -11.7918 -11.7918 -1.3340 -1.3340 -0.9285 -0.9285 -0.7375 -0.7375 -0.5045 -0.5045 3.1835 3.1835 3.3699 3.3699 9.1603 9.1603 9.2526 9.2526 9.5478 9.5478 10.9809 10.9809 k = 0.2166 0.2147 0.3417 ( 4088 PWs) bands (ev): -46.8574 -46.8574 -46.8531 -46.8531 -18.9300 -18.9300 -18.9182 -18.9182 -18.7624 -18.7624 -18.7518 -18.7518 -18.7209 -18.7209 -18.6963 -18.6963 -13.8137 -13.8137 -11.7960 -11.7960 -1.3328 -1.3328 -0.9090 -0.9090 -0.7097 -0.7097 -0.5211 -0.5211 3.2083 3.2083 3.3892 3.3892 9.0626 9.0626 9.2874 9.2874 9.5562 9.5562 10.9272 10.9272 k = 0.2086 0.2067 0.3417 ( 4085 PWs) bands (ev): -46.8576 -46.8576 -46.8530 -46.8530 -18.9299 -18.9299 -18.9175 -18.9175 -18.7617 -18.7617 -18.7517 -18.7517 -18.7205 -18.7205 -18.6956 -18.6956 -13.8200 -13.8200 -11.8001 -11.8001 -1.3314 -1.3314 -0.8908 -0.8908 -0.6820 -0.6820 -0.5357 -0.5357 3.2327 3.2327 3.4083 3.4083 8.9644 8.9644 9.3225 9.3225 9.5655 9.5655 10.8743 10.8743 k = 0.2006 0.1988 0.3417 ( 4083 PWs) bands (ev): -46.8577 -46.8577 -46.8530 -46.8530 -18.9298 -18.9298 -18.9168 -18.9168 -18.7610 -18.7610 -18.7514 -18.7514 -18.7202 -18.7202 -18.6948 -18.6948 -13.8264 -13.8264 -11.8043 -11.8043 -1.3297 -1.3297 -0.8744 -0.8744 -0.6545 -0.6545 -0.5477 -0.5477 3.2568 3.2568 3.4271 3.4271 8.8665 8.8665 9.3578 9.3578 9.5754 9.5754 10.8223 10.8223 k = 0.1926 0.1908 0.3417 ( 4083 PWs) bands (ev): -46.8579 -46.8579 -46.8529 -46.8529 -18.9298 -18.9298 -18.9160 -18.9160 -18.7603 -18.7603 -18.7511 -18.7511 -18.7199 -18.7199 -18.6940 -18.6940 -13.8328 -13.8328 -11.8086 -11.8086 -1.3277 -1.3277 -0.8607 -0.8607 -0.6271 -0.6271 -0.5563 -0.5563 3.2805 3.2805 3.4457 3.4457 8.7694 8.7694 9.3932 9.3932 9.5857 9.5857 10.7710 10.7710 k = 0.1846 0.1829 0.3417 ( 4089 PWs) bands (ev): -46.8581 -46.8581 -46.8529 -46.8529 -18.9297 -18.9297 -18.9153 -18.9153 -18.7598 -18.7598 -18.7507 -18.7507 -18.7197 -18.7197 -18.6933 -18.6933 -13.8391 -13.8391 -11.8128 -11.8128 -1.3253 -1.3253 -0.8506 -0.8506 -0.6001 -0.6001 -0.5606 -0.5606 3.3036 3.3036 3.4639 3.4639 8.6739 8.6739 9.4288 9.4288 9.5963 9.5963 10.7205 10.7205 k = 0.1765 0.1749 0.3417 ( 4091 PWs) bands (ev): -46.8583 -46.8583 -46.8529 -46.8529 -18.9296 -18.9296 -18.9146 -18.9146 -18.7594 -18.7594 -18.7501 -18.7501 -18.7195 -18.7195 -18.6926 -18.6926 -13.8453 -13.8453 -11.8170 -11.8170 -1.3227 -1.3227 -0.8448 -0.8448 -0.5738 -0.5738 -0.5597 -0.5597 3.3261 3.3261 3.4817 3.4817 8.5802 8.5802 9.4643 9.4643 9.6072 9.6072 10.6710 10.6710 k = 0.1685 0.1670 0.3417 ( 4097 PWs) bands (ev): -46.8585 -46.8585 -46.8528 -46.8528 -18.9295 -18.9295 -18.9139 -18.9139 -18.7591 -18.7591 -18.7495 -18.7495 -18.7194 -18.7194 -18.6918 -18.6918 -13.8515 -13.8515 -11.8212 -11.8212 -1.3196 -1.3196 -0.8436 -0.8436 -0.5559 -0.5559 -0.5457 -0.5457 3.3478 3.3478 3.4990 3.4990 8.4889 8.4889 9.4997 9.4997 9.6182 9.6182 10.6223 10.6223 k = 0.1605 0.1590 0.3417 ( 4097 PWs) bands (ev): -46.8586 -46.8586 -46.8528 -46.8528 -18.9293 -18.9293 -18.9132 -18.9132 -18.7588 -18.7588 -18.7488 -18.7488 -18.7193 -18.7193 -18.6911 -18.6911 -13.8575 -13.8575 -11.8253 -11.8253 -1.3162 -1.3162 -0.8468 -0.8468 -0.5450 -0.5450 -0.5205 -0.5205 3.3688 3.3688 3.5159 3.5159 8.4002 8.4002 9.5348 9.5348 9.6294 9.6294 10.5747 10.5747 k = 0.1525 0.1511 0.3417 ( 4102 PWs) bands (ev): -46.8588 -46.8588 -46.8527 -46.8527 -18.9292 -18.9292 -18.9125 -18.9125 -18.7587 -18.7587 -18.7480 -18.7480 -18.7193 -18.7193 -18.6903 -18.6903 -13.8634 -13.8634 -11.8294 -11.8294 -1.3124 -1.3124 -0.8538 -0.8538 -0.5305 -0.5305 -0.4953 -0.4953 3.3888 3.3888 3.5322 3.5322 8.3145 8.3145 9.5697 9.5697 9.6406 9.6406 10.5282 10.5282 k = 0.1444 0.1431 0.3417 ( 4103 PWs) bands (ev): -46.8589 -46.8589 -46.8527 -46.8527 -18.9290 -18.9290 -18.9118 -18.9118 -18.7586 -18.7586 -18.7471 -18.7471 -18.7193 -18.7193 -18.6896 -18.6896 -13.8692 -13.8692 -11.8334 -11.8334 -1.3083 -1.3083 -0.8639 -0.8639 -0.5128 -0.5128 -0.4708 -0.4708 3.4080 3.4080 3.5480 3.5480 8.2321 8.2321 9.6041 9.6041 9.6518 9.6518 10.4829 10.4829 k = 0.1364 0.1352 0.3417 ( 4102 PWs) bands (ev): -46.8591 -46.8591 -46.8527 -46.8527 -18.9288 -18.9288 -18.9111 -18.9111 -18.7585 -18.7585 -18.7462 -18.7462 -18.7193 -18.7193 -18.6888 -18.6888 -13.8748 -13.8748 -11.8373 -11.8373 -1.3037 -1.3037 -0.8762 -0.8762 -0.4929 -0.4929 -0.4469 -0.4469 3.4261 3.4261 3.5631 3.5631 8.1533 8.1533 9.6377 9.6377 9.6631 9.6631 10.4389 10.4389 k = 0.1284 0.1272 0.3417 ( 4105 PWs) bands (ev): -46.8592 -46.8592 -46.8526 -46.8526 -18.9286 -18.9286 -18.9105 -18.9105 -18.7585 -18.7585 -18.7453 -18.7453 -18.7195 -18.7195 -18.6881 -18.6881 -13.8801 -13.8801 -11.8411 -11.8411 -1.2987 -1.2987 -0.8901 -0.8901 -0.4715 -0.4715 -0.4239 -0.4239 3.4431 3.4431 3.5776 3.5776 8.0781 8.0781 9.6683 9.6683 9.6766 9.6766 10.3964 10.3964 k = 0.1204 0.1193 0.3417 ( 4105 PWs) bands (ev): -46.8593 -46.8593 -46.8526 -46.8526 -18.9284 -18.9284 -18.9098 -18.9098 -18.7584 -18.7584 -18.7443 -18.7443 -18.7196 -18.7196 -18.6874 -18.6874 -13.8853 -13.8853 -11.8447 -11.8447 -1.2933 -1.2933 -0.9052 -0.9052 -0.4491 -0.4491 -0.4018 -0.4018 3.4590 3.4590 3.5914 3.5914 8.0070 8.0070 9.6828 9.6828 9.7051 9.7051 10.3555 10.3555 k = 0.1123 0.1113 0.3417 ( 4108 PWs) bands (ev): -46.8595 -46.8595 -46.8526 -46.8526 -18.9282 -18.9282 -18.9092 -18.9092 -18.7585 -18.7585 -18.7433 -18.7433 -18.7198 -18.7198 -18.6868 -18.6868 -13.8903 -13.8903 -11.8482 -11.8482 -1.2875 -1.2875 -0.9209 -0.9209 -0.4264 -0.4264 -0.3807 -0.3807 3.4738 3.4738 3.6044 3.6044 7.9399 7.9399 9.6933 9.6933 9.7364 9.7364 10.3164 10.3164 k = 0.1043 0.1034 0.3417 ( 4108 PWs) bands (ev): -46.8596 -46.8596 -46.8525 -46.8525 -18.9280 -18.9280 -18.9087 -18.9087 -18.7585 -18.7585 -18.7423 -18.7423 -18.7200 -18.7200 -18.6861 -18.6861 -13.8950 -13.8950 -11.8516 -11.8516 -1.2812 -1.2812 -0.9371 -0.9371 -0.4037 -0.4037 -0.3606 -0.3606 3.4874 3.4874 3.6167 3.6167 7.8771 7.8771 9.7031 9.7031 9.7670 9.7670 10.2792 10.2792 k = 0.0963 0.0954 0.3417 ( 4101 PWs) bands (ev): -46.8597 -46.8597 -46.8525 -46.8525 -18.9278 -18.9278 -18.9081 -18.9081 -18.7585 -18.7585 -18.7413 -18.7413 -18.7202 -18.7202 -18.6855 -18.6855 -13.8994 -13.8994 -11.8547 -11.8547 -1.2746 -1.2746 -0.9534 -0.9534 -0.3815 -0.3815 -0.3416 -0.3416 3.4998 3.4998 3.6282 3.6282 7.8187 7.8187 9.7124 9.7124 9.7963 9.7963 10.2442 10.2442 k = 0.0883 0.0875 0.3417 ( 4102 PWs) bands (ev): -46.8598 -46.8598 -46.8525 -46.8525 -18.9276 -18.9276 -18.9076 -18.9076 -18.7585 -18.7585 -18.7404 -18.7404 -18.7205 -18.7205 -18.6849 -18.6849 -13.9035 -13.9035 -11.8577 -11.8577 -1.2675 -1.2675 -0.9698 -0.9698 -0.3600 -0.3600 -0.3239 -0.3239 3.5110 3.5110 3.6389 3.6389 7.7648 7.7648 9.7210 9.7210 9.8244 9.8244 10.2113 10.2113 k = 0.0802 0.0795 0.3417 ( 4100 PWs) bands (ev): -46.8599 -46.8599 -46.8525 -46.8525 -18.9274 -18.9274 -18.9071 -18.9071 -18.7585 -18.7585 -18.7394 -18.7394 -18.7208 -18.7208 -18.6844 -18.6844 -13.9073 -13.9073 -11.8605 -11.8605 -1.2600 -1.2600 -0.9861 -0.9861 -0.3395 -0.3395 -0.3074 -0.3074 3.5210 3.5210 3.6487 3.6487 7.7154 7.7154 9.7289 9.7289 9.8508 9.8508 10.1809 10.1809 k = 0.0722 0.0716 0.3417 ( 4100 PWs) bands (ev): -46.8600 -46.8600 -46.8524 -46.8524 -18.9272 -18.9272 -18.9067 -18.9067 -18.7586 -18.7586 -18.7385 -18.7385 -18.7212 -18.7212 -18.6839 -18.6839 -13.9109 -13.9109 -11.8630 -11.8630 -1.2521 -1.2521 -1.0021 -1.0021 -0.3202 -0.3202 -0.2923 -0.2923 3.5299 3.5299 3.6576 3.6576 7.6707 7.6707 9.7361 9.7361 9.8756 9.8756 10.1530 10.1530 k = 0.0642 0.0636 0.3417 ( 4096 PWs) bands (ev): -46.8601 -46.8601 -46.8524 -46.8524 -18.9270 -18.9270 -18.9063 -18.9063 -18.7586 -18.7586 -18.7376 -18.7376 -18.7215 -18.7215 -18.6834 -18.6834 -13.9140 -13.9140 -11.8653 -11.8653 -1.2439 -1.2439 -1.0178 -1.0178 -0.3025 -0.3025 -0.2785 -0.2785 3.5376 3.5376 3.6657 3.6657 7.6306 7.6306 9.7426 9.7426 9.8985 9.8985 10.1278 10.1278 k = 0.0562 0.0557 0.3417 ( 4098 PWs) bands (ev): -46.8601 -46.8601 -46.8524 -46.8524 -18.9268 -18.9268 -18.9059 -18.9059 -18.7587 -18.7587 -18.7368 -18.7368 -18.7219 -18.7219 -18.6830 -18.6830 -13.9169 -13.9169 -11.8674 -11.8674 -1.2355 -1.2355 -1.0330 -1.0330 -0.2863 -0.2863 -0.2661 -0.2661 3.5443 3.5443 3.6728 3.6728 7.5953 7.5953 9.7482 9.7482 9.9192 9.9192 10.1054 10.1054 k = 0.0481 0.0477 0.3417 ( 4105 PWs) bands (ev): -46.8602 -46.8602 -46.8524 -46.8524 -18.9267 -18.9267 -18.9056 -18.9056 -18.7587 -18.7587 -18.7360 -18.7360 -18.7223 -18.7223 -18.6827 -18.6827 -13.9194 -13.9194 -11.8692 -11.8692 -1.2268 -1.2268 -1.0476 -1.0476 -0.2721 -0.2721 -0.2552 -0.2552 3.5499 3.5499 3.6790 3.6790 7.5646 7.5646 9.7530 9.7530 9.9377 9.9377 10.0859 10.0859 k = 0.0401 0.0398 0.3417 ( 4106 PWs) bands (ev): -46.8603 -46.8603 -46.8524 -46.8524 -18.9266 -18.9266 -18.9053 -18.9053 -18.7588 -18.7588 -18.7353 -18.7353 -18.7226 -18.7226 -18.6824 -18.6824 -13.9215 -13.9215 -11.8707 -11.8707 -1.2180 -1.2180 -1.0614 -1.0614 -0.2599 -0.2599 -0.2458 -0.2458 3.5546 3.5546 3.6843 3.6843 7.5387 7.5387 9.7570 9.7570 9.9536 9.9536 10.0694 10.0694 k = 0.0321 0.0318 0.3417 ( 4111 PWs) bands (ev): -46.8603 -46.8603 -46.8524 -46.8524 -18.9266 -18.9266 -18.9051 -18.9051 -18.7588 -18.7588 -18.7347 -18.7347 -18.7230 -18.7230 -18.6821 -18.6821 -13.9232 -13.9232 -11.8720 -11.8720 -1.2094 -1.2094 -1.0742 -1.0742 -0.2499 -0.2499 -0.2379 -0.2379 3.5584 3.5584 3.6886 3.6886 7.5176 7.5176 9.7601 9.7601 9.9669 9.9669 10.0559 10.0559 k = 0.0241 0.0239 0.3417 ( 4116 PWs) bands (ev): -46.8603 -46.8603 -46.8524 -46.8524 -18.9265 -18.9265 -18.9050 -18.9050 -18.7589 -18.7589 -18.7342 -18.7342 -18.7234 -18.7234 -18.6819 -18.6819 -13.9246 -13.9246 -11.8730 -11.8730 -1.2013 -1.2013 -1.0855 -1.0855 -0.2422 -0.2422 -0.2316 -0.2316 3.5612 3.5612 3.6920 3.6920 7.5011 7.5011 9.7625 9.7625 9.9774 9.9774 10.0455 10.0455 k = 0.0160 0.0159 0.3417 ( 4116 PWs) bands (ev): -46.8604 -46.8604 -46.8524 -46.8524 -18.9264 -18.9264 -18.9048 -18.9048 -18.7589 -18.7589 -18.7338 -18.7338 -18.7236 -18.7236 -18.6818 -18.6818 -13.9256 -13.9256 -11.8737 -11.8737 -1.1944 -1.1944 -1.0948 -1.0948 -0.2367 -0.2367 -0.2269 -0.2269 3.5632 3.5632 3.6944 3.6944 7.4893 7.4893 9.7642 9.7642 9.9850 9.9850 10.0380 10.0380 k = 0.0080 0.0080 0.3417 ( 4120 PWs) bands (ev): -46.8604 -46.8604 -46.8524 -46.8524 -18.9264 -18.9264 -18.9048 -18.9048 -18.7589 -18.7589 -18.7336 -18.7336 -18.7237 -18.7237 -18.6817 -18.6817 -13.9262 -13.9262 -11.8742 -11.8742 -1.1895 -1.1895 -1.1011 -1.1011 -0.2335 -0.2335 -0.2240 -0.2240 3.5644 3.5644 3.6959 3.6959 7.4823 7.4823 9.7651 9.7651 9.9896 9.9896 10.0336 10.0336 k = 0.0000 0.0000 0.3417 ( 4122 PWs) bands (ev): -46.8604 -46.8604 -46.8524 -46.8524 -18.9264 -18.9264 -18.9048 -18.9048 -18.7589 -18.7589 -18.7335 -18.7335 -18.7238 -18.7238 -18.6817 -18.6817 -13.9264 -13.9264 -11.8743 -11.8743 -1.1877 -1.1877 -1.1034 -1.1034 -0.2324 -0.2324 -0.2231 -0.2231 3.5648 3.5648 3.6964 3.6964 7.4799 7.4799 9.7655 9.7655 9.9911 9.9911 10.0321 10.0321 k = 0.0000 0.0000 0.3417 ( 4122 PWs) bands (ev): -46.8604 -46.8604 -46.8524 -46.8524 -18.9264 -18.9264 -18.9048 -18.9048 -18.7589 -18.7589 -18.7335 -18.7335 -18.7238 -18.7238 -18.6817 -18.6817 -13.9264 -13.9264 -11.8743 -11.8743 -1.1877 -1.1877 -1.1034 -1.1034 -0.2324 -0.2324 -0.2231 -0.2231 3.5648 3.5648 3.6964 3.6964 7.4799 7.4799 9.7655 9.7655 9.9911 9.9911 10.0321 10.0321 k = 0.0079-0.0080 0.3417 ( 4124 PWs) bands (ev): -46.8604 -46.8604 -46.8524 -46.8524 -18.9264 -18.9264 -18.9048 -18.9048 -18.7589 -18.7589 -18.7336 -18.7336 -18.7238 -18.7238 -18.6818 -18.6818 -13.9262 -13.9262 -11.8742 -11.8742 -1.1877 -1.1877 -1.1029 -1.1029 -0.2334 -0.2334 -0.2241 -0.2241 3.5646 3.5646 3.6954 3.6954 7.4827 7.4827 9.7652 9.7652 9.9908 9.9908 10.0326 10.0326 k = 0.0159-0.0160 0.3417 ( 4126 PWs) bands (ev): -46.8604 -46.8604 -46.8524 -46.8524 -18.9265 -18.9265 -18.9049 -18.9049 -18.7589 -18.7589 -18.7338 -18.7338 -18.7236 -18.7236 -18.6819 -18.6819 -13.9256 -13.9256 -11.8737 -11.8737 -1.1877 -1.1877 -1.1016 -1.1016 -0.2363 -0.2363 -0.2273 -0.2273 3.5640 3.5640 3.6924 3.6924 7.4909 7.4909 9.7644 9.7644 9.9899 9.9899 10.0343 10.0343 k = 0.0238-0.0240 0.3417 ( 4118 PWs) bands (ev): -46.8603 -46.8603 -46.8524 -46.8524 -18.9265 -18.9265 -18.9050 -18.9050 -18.7589 -18.7589 -18.7342 -18.7342 -18.7233 -18.7233 -18.6820 -18.6820 -13.9246 -13.9246 -11.8730 -11.8730 -1.1876 -1.1876 -1.0993 -1.0993 -0.2414 -0.2414 -0.2322 -0.2322 3.5631 3.5631 3.6875 3.6875 7.5046 7.5046 9.7629 9.7629 9.9884 9.9884 10.0372 10.0372 k = 0.0317-0.0320 0.3417 ( 4120 PWs) bands (ev): -46.8603 -46.8603 -46.8524 -46.8524 -18.9266 -18.9266 -18.9052 -18.9052 -18.7589 -18.7589 -18.7347 -18.7347 -18.7230 -18.7230 -18.6823 -18.6823 -13.9233 -13.9233 -11.8720 -11.8720 -1.1875 -1.1875 -1.0961 -1.0961 -0.2490 -0.2490 -0.2385 -0.2385 3.5616 3.5616 3.6806 3.6806 7.5238 7.5238 9.7604 9.7604 9.9864 9.9864 10.0416 10.0416 k = 0.0397-0.0401 0.3417 ( 4112 PWs) bands (ev): -46.8603 -46.8603 -46.8524 -46.8524 -18.9266 -18.9266 -18.9054 -18.9054 -18.7588 -18.7588 -18.7353 -18.7353 -18.7226 -18.7226 -18.6825 -18.6825 -13.9215 -13.9215 -11.8706 -11.8706 -1.1874 -1.1874 -1.0920 -1.0920 -0.2592 -0.2592 -0.2461 -0.2461 3.5598 3.5598 3.6718 3.6718 7.5483 7.5483 9.7567 9.7567 9.9839 9.9839 10.0479 10.0479 k = 0.0476-0.0481 0.3417 ( 4110 PWs) bands (ev): -46.8602 -46.8602 -46.8524 -46.8524 -18.9267 -18.9267 -18.9057 -18.9057 -18.7588 -18.7588 -18.7360 -18.7360 -18.7221 -18.7221 -18.6829 -18.6829 -13.9194 -13.9194 -11.8691 -11.8691 -1.1872 -1.1872 -1.0870 -1.0870 -0.2720 -0.2720 -0.2547 -0.2547 3.5574 3.5574 3.6612 3.6612 7.5782 7.5782 9.7514 9.7514 9.9808 9.9808 10.0564 10.0564 k = 0.0556-0.0561 0.3417 ( 4114 PWs) bands (ev): -46.8601 -46.8601 -46.8524 -46.8524 -18.9269 -18.9269 -18.9060 -18.9060 -18.7588 -18.7588 -18.7368 -18.7368 -18.7217 -18.7217 -18.6833 -18.6833 -13.9170 -13.9170 -11.8672 -11.8672 -1.1871 -1.1871 -1.0812 -1.0812 -0.2871 -0.2871 -0.2646 -0.2646 3.5545 3.5545 3.6488 3.6488 7.6133 7.6133 9.7443 9.7443 9.9773 9.9773 10.0673 10.0673 k = 0.0635-0.0641 0.3417 ( 4110 PWs) bands (ev): -46.8601 -46.8601 -46.8524 -46.8524 -18.9270 -18.9270 -18.9063 -18.9063 -18.7588 -18.7588 -18.7375 -18.7375 -18.7213 -18.7213 -18.6837 -18.6837 -13.9142 -13.9142 -11.8651 -11.8651 -1.1869 -1.1869 -1.0745 -1.0745 -0.3044 -0.3044 -0.2757 -0.2757 3.5510 3.5510 3.6347 3.6347 7.6536 7.6536 9.7352 9.7352 9.9735 9.9735 10.0809 10.0809 k = 0.0714-0.0721 0.3417 ( 4102 PWs) bands (ev): -46.8600 -46.8600 -46.8525 -46.8525 -18.9271 -18.9271 -18.9067 -18.9067 -18.7588 -18.7588 -18.7384 -18.7384 -18.7208 -18.7208 -18.6843 -18.6843 -13.9110 -13.9110 -11.8628 -11.8628 -1.1868 -1.1868 -1.0669 -1.0669 -0.3236 -0.3236 -0.2880 -0.2880 3.5470 3.5470 3.6189 3.6189 7.6990 7.6990 9.7240 9.7240 9.9693 9.9693 10.0973 10.0973 k = 0.0794-0.0801 0.3417 ( 4100 PWs) bands (ev): -46.8599 -46.8599 -46.8525 -46.8525 -18.9273 -18.9273 -18.9072 -18.9072 -18.7588 -18.7588 -18.7392 -18.7392 -18.7204 -18.7204 -18.6848 -18.6848 -13.9075 -13.9075 -11.8602 -11.8602 -1.1866 -1.1866 -1.0585 -1.0585 -0.3446 -0.3446 -0.3014 -0.3014 3.5423 3.5423 3.6015 3.6015 7.7493 7.7493 9.7106 9.7106 9.9648 9.9648 10.1166 10.1166 k = 0.0873-0.0881 0.3417 ( 4100 PWs) bands (ev): -46.8598 -46.8598 -46.8525 -46.8525 -18.9275 -18.9275 -18.9077 -18.9077 -18.7588 -18.7588 -18.7401 -18.7401 -18.7201 -18.7201 -18.6854 -18.6854 -13.9038 -13.9038 -11.8573 -11.8573 -1.1865 -1.1865 -1.0493 -1.0493 -0.3673 -0.3673 -0.3160 -0.3160 3.5368 3.5368 3.5827 3.5827 7.8044 7.8044 9.6952 9.6952 9.9602 9.9602 10.1386 10.1386 k = 0.0952-0.0961 0.3417 ( 4102 PWs) bands (ev): -46.8597 -46.8597 -46.8525 -46.8525 -18.9277 -18.9277 -18.9082 -18.9082 -18.7588 -18.7588 -18.7410 -18.7410 -18.7197 -18.7197 -18.6861 -18.6861 -13.8997 -13.8997 -11.8543 -11.8543 -1.1864 -1.1864 -1.0393 -1.0393 -0.3915 -0.3915 -0.3316 -0.3316 3.5305 3.5305 3.5626 3.5626 7.8642 7.8642 9.6777 9.6777 9.9556 9.9556 10.1633 10.1633 k = 0.1032-0.1041 0.3417 ( 4108 PWs) bands (ev): -46.8596 -46.8596 -46.8526 -46.8526 -18.9279 -18.9279 -18.9088 -18.9088 -18.7589 -18.7589 -18.7419 -18.7419 -18.7194 -18.7194 -18.6868 -18.6868 -13.8953 -13.8953 -11.8511 -11.8511 -1.1863 -1.1863 -1.0286 -1.0286 -0.4170 -0.4170 -0.3482 -0.3482 3.5229 3.5229 3.5417 3.5417 7.9285 7.9285 9.6584 9.6584 9.9510 9.9510 10.1906 10.1906 k = 0.1111-0.1121 0.3417 ( 4114 PWs) bands (ev): -46.8594 -46.8594 -46.8526 -46.8526 -18.9281 -18.9281 -18.9094 -18.9094 -18.7590 -18.7590 -18.7428 -18.7428 -18.7192 -18.7192 -18.6876 -18.6876 -13.8907 -13.8907 -11.8477 -11.8477 -1.1863 -1.1863 -1.0172 -1.0172 -0.4436 -0.4436 -0.3657 -0.3657 3.5114 3.5114 3.5228 3.5228 7.9971 7.9971 9.6373 9.6373 9.9465 9.9465 10.2202 10.2202 k = 0.1190-0.1202 0.3417 ( 4114 PWs) bands (ev): -46.8593 -46.8593 -46.8527 -46.8527 -18.9283 -18.9283 -18.9100 -18.9100 -18.7591 -18.7591 -18.7437 -18.7437 -18.7189 -18.7189 -18.6884 -18.6884 -13.8858 -13.8858 -11.8441 -11.8441 -1.1863 -1.1863 -1.0052 -1.0052 -0.4712 -0.4712 -0.3839 -0.3839 3.4908 3.4908 3.5111 3.5111 8.0698 8.0698 9.6147 9.6147 9.9423 9.9423 10.2521 10.2521 k = 0.1270-0.1282 0.3417 ( 4114 PWs) bands (ev): -46.8592 -46.8592 -46.8527 -46.8527 -18.9285 -18.9285 -18.9106 -18.9106 -18.7592 -18.7592 -18.7446 -18.7446 -18.7187 -18.7187 -18.6892 -18.6892 -13.8806 -13.8806 -11.8404 -11.8404 -1.1864 -1.1864 -0.9925 -0.9925 -0.4996 -0.4996 -0.4028 -0.4028 3.4664 3.4664 3.5014 3.5014 8.1465 8.1465 9.5906 9.5906 9.9384 9.9384 10.2861 10.2861 k = 0.1349-0.1362 0.3417 ( 4110 PWs) bands (ev): -46.8590 -46.8590 -46.8527 -46.8527 -18.9286 -18.9286 -18.9113 -18.9113 -18.7593 -18.7593 -18.7454 -18.7454 -18.7185 -18.7185 -18.6900 -18.6900 -13.8753 -13.8753 -11.8366 -11.8366 -1.1865 -1.1865 -0.9794 -0.9794 -0.5287 -0.5287 -0.4221 -0.4221 3.4406 3.4406 3.4915 3.4915 8.2267 8.2267 9.5653 9.5653 9.9350 9.9350 10.3221 10.3221 k = 0.1429-0.1442 0.3417 ( 4114 PWs) bands (ev): -46.8589 -46.8589 -46.8528 -46.8528 -18.9288 -18.9288 -18.9120 -18.9120 -18.7595 -18.7595 -18.7462 -18.7462 -18.7184 -18.7184 -18.6909 -18.6909 -13.8698 -13.8698 -11.8326 -11.8326 -1.1868 -1.1868 -0.9659 -0.9659 -0.5582 -0.5582 -0.4419 -0.4419 3.4138 3.4138 3.4810 3.4810 8.3104 8.3104 9.5387 9.5387 9.9322 9.9322 10.3598 10.3598 k = 0.1508-0.1522 0.3417 ( 4112 PWs) bands (ev): -46.8587 -46.8587 -46.8528 -46.8528 -18.9290 -18.9290 -18.9127 -18.9127 -18.7598 -18.7598 -18.7469 -18.7469 -18.7183 -18.7183 -18.6918 -18.6918 -13.8641 -13.8641 -11.8285 -11.8285 -1.1871 -1.1871 -0.9521 -0.9521 -0.5881 -0.5881 -0.4618 -0.4618 3.3862 3.3862 3.4698 3.4698 8.3971 8.3971 9.5112 9.5112 9.9301 9.9301 10.3992 10.3992 k = 0.1587-0.1602 0.3417 ( 4108 PWs) bands (ev): -46.8586 -46.8586 -46.8529 -46.8529 -18.9292 -18.9292 -18.9133 -18.9133 -18.7600 -18.7600 -18.7476 -18.7476 -18.7183 -18.7183 -18.6926 -18.6926 -13.8582 -13.8582 -11.8244 -11.8244 -1.1875 -1.1875 -0.9382 -0.9382 -0.6182 -0.6182 -0.4816 -0.4816 3.3579 3.3579 3.4580 3.4580 8.4866 8.4866 9.4827 9.4827 9.9289 9.9289 10.4401 10.4401 k = 0.1667-0.1682 0.3417 ( 4108 PWs) bands (ev): -46.8584 -46.8584 -46.8529 -46.8529 -18.9293 -18.9293 -18.9141 -18.9141 -18.7604 -18.7604 -18.7482 -18.7482 -18.7183 -18.7183 -18.6935 -18.6935 -13.8522 -13.8522 -11.8201 -11.8201 -1.1881 -1.1881 -0.9245 -0.9245 -0.6484 -0.6484 -0.5011 -0.5011 3.3290 3.3290 3.4456 3.4456 8.5786 8.5786 9.4534 9.4534 9.9288 9.9288 10.4824 10.4824 k = 0.1746-0.1762 0.3417 ( 4106 PWs) bands (ev): -46.8582 -46.8582 -46.8530 -46.8530 -18.9294 -18.9294 -18.9148 -18.9148 -18.7608 -18.7608 -18.7487 -18.7487 -18.7183 -18.7183 -18.6944 -18.6944 -13.8462 -13.8462 -11.8159 -11.8159 -1.1887 -1.1887 -0.9112 -0.9112 -0.6785 -0.6785 -0.5200 -0.5200 3.2997 3.2997 3.4325 3.4325 8.6725 8.6725 9.4233 9.4233 9.9298 9.9298 10.5259 10.5259 k = 0.1825-0.1842 0.3417 ( 4102 PWs) bands (ev): -46.8580 -46.8580 -46.8530 -46.8530 -18.9296 -18.9296 -18.9155 -18.9155 -18.7613 -18.7613 -18.7491 -18.7491 -18.7184 -18.7184 -18.6952 -18.6952 -13.8400 -13.8400 -11.8116 -11.8116 -1.1895 -1.1895 -0.8987 -0.8987 -0.7084 -0.7084 -0.5377 -0.5377 3.2700 3.2700 3.4189 3.4189 8.7680 8.7680 9.3927 9.3927 9.9323 9.9323 10.5706 10.5706 k = 0.1905-0.1922 0.3417 ( 4100 PWs) bands (ev): -46.8578 -46.8578 -46.8531 -46.8531 -18.9297 -18.9297 -18.9162 -18.9162 -18.7619 -18.7619 -18.7495 -18.7495 -18.7186 -18.7186 -18.6961 -18.6961 -13.8337 -13.8337 -11.8073 -11.8073 -1.1904 -1.1904 -0.8875 -0.8875 -0.7380 -0.7380 -0.5538 -0.5538 3.2401 3.2401 3.4047 3.4047 8.8644 8.8644 9.3615 9.3615 9.9364 9.9364 10.6164 10.6164 k = 0.1984-0.2003 0.3417 ( 4102 PWs) bands (ev): -46.8577 -46.8577 -46.8531 -46.8531 -18.9298 -18.9298 -18.9169 -18.9169 -18.7625 -18.7625 -18.7498 -18.7498 -18.7189 -18.7189 -18.6970 -18.6970 -13.8274 -13.8274 -11.8030 -11.8030 -1.1915 -1.1915 -0.8782 -0.8782 -0.7672 -0.7672 -0.5676 -0.5676 3.2099 3.2099 3.3900 3.3900 8.9613 8.9613 9.3299 9.3299 9.9423 9.9423 10.6632 10.6632 k = 0.2063-0.2083 0.3417 ( 4106 PWs) bands (ev): -46.8575 -46.8575 -46.8532 -46.8532 -18.9299 -18.9299 -18.9177 -18.9177 -18.7632 -18.7632 -18.7500 -18.7500 -18.7191 -18.7191 -18.6979 -18.6979 -13.8211 -13.8211 -11.7987 -11.7987 -1.1927 -1.1927 -0.8717 -0.8717 -0.7959 -0.7959 -0.5784 -0.5784 3.1797 3.1797 3.3749 3.3749 9.0579 9.0579 9.2980 9.2980 9.9505 9.9505 10.7108 10.7108 k = 0.2143-0.2163 0.3417 ( 4108 PWs) bands (ev): -46.8573 -46.8573 -46.8533 -46.8533 -18.9299 -18.9299 -18.9184 -18.9184 -18.7639 -18.7639 -18.7502 -18.7502 -18.7194 -18.7194 -18.6987 -18.6987 -13.8148 -13.8148 -11.7945 -11.7945 -1.1941 -1.1941 -0.8685 -0.8685 -0.8238 -0.8238 -0.5853 -0.5853 3.1495 3.1495 3.3594 3.3594 9.1532 9.1532 9.2659 9.2659 9.9614 9.9614 10.7592 10.7592 k = 0.2222-0.2243 0.3417 ( 4110 PWs) bands (ev): -46.8571 -46.8571 -46.8533 -46.8533 -18.9300 -18.9300 -18.9191 -18.9191 -18.7646 -18.7646 -18.7503 -18.7503 -18.7198 -18.7198 -18.6995 -18.6995 -13.8084 -13.8084 -11.7903 -11.7903 -1.1957 -1.1957 -0.8696 -0.8696 -0.8509 -0.8509 -0.5878 -0.5878 3.1194 3.1194 3.3435 3.3435 9.2332 9.2332 9.2467 9.2467 9.9754 9.9754 10.8083 10.8083 k = 0.2302-0.2323 0.3417 ( 4106 PWs) bands (ev): -46.8569 -46.8569 -46.8534 -46.8534 -18.9300 -18.9300 -18.9198 -18.9198 -18.7654 -18.7654 -18.7503 -18.7503 -18.7201 -18.7201 -18.7003 -18.7003 -13.8021 -13.8021 -11.7861 -11.7861 -1.1974 -1.1974 -0.8799 -0.8799 -0.8720 -0.8720 -0.5856 -0.5856 3.0894 3.0894 3.3272 3.3272 9.2011 9.2011 9.3361 9.3361 9.9932 9.9932 10.8581 10.8581 k = 0.2381-0.2403 0.3417 ( 4102 PWs) bands (ev): -46.8567 -46.8567 -46.8534 -46.8534 -18.9299 -18.9299 -18.9205 -18.9205 -18.7661 -18.7661 -18.7503 -18.7503 -18.7205 -18.7205 -18.7011 -18.7011 -13.7959 -13.7959 -11.7821 -11.7821 -1.1993 -1.1993 -0.9043 -0.9043 -0.8821 -0.8821 -0.5791 -0.5791 3.0597 3.0597 3.3108 3.3108 9.1687 9.1687 9.4209 9.4209 10.0154 10.0154 10.9085 10.9085 k = 0.2460-0.2483 0.3417 ( 4108 PWs) bands (ev): -46.8565 -46.8565 -46.8535 -46.8535 -18.9299 -18.9299 -18.9212 -18.9212 -18.7669 -18.7669 -18.7503 -18.7503 -18.7210 -18.7210 -18.7019 -18.7019 -13.7897 -13.7897 -11.7781 -11.7781 -1.2014 -1.2014 -0.9290 -0.9290 -0.8945 -0.8945 -0.5686 -0.5686 3.0303 3.0303 3.2941 3.2941 9.1364 9.1364 9.4993 9.4993 10.0427 10.0427 10.9594 10.9594 k = 0.2540-0.2563 0.3417 ( 4110 PWs) bands (ev): -46.8563 -46.8563 -46.8536 -46.8536 -18.9299 -18.9299 -18.9219 -18.9219 -18.7677 -18.7677 -18.7503 -18.7503 -18.7215 -18.7215 -18.7027 -18.7027 -13.7836 -13.7836 -11.7742 -11.7742 -1.2036 -1.2036 -0.9528 -0.9528 -0.9094 -0.9094 -0.5549 -0.5549 3.0012 3.0012 3.2772 3.2772 9.1042 9.1042 9.5700 9.5700 10.0755 10.0755 11.0108 11.0108 k = 0.2619-0.2643 0.3417 ( 4112 PWs) bands (ev): -46.8561 -46.8561 -46.8536 -46.8536 -18.9298 -18.9298 -18.9225 -18.9225 -18.7684 -18.7684 -18.7503 -18.7503 -18.7220 -18.7220 -18.7034 -18.7034 -13.7776 -13.7776 -11.7704 -11.7704 -1.2061 -1.2061 -0.9757 -0.9757 -0.9264 -0.9264 -0.5386 -0.5386 2.9726 2.9726 3.2603 3.2603 9.0723 9.0723 9.6321 9.6321 10.1135 10.1135 11.0627 11.0627 k = 0.2698-0.2724 0.3417 ( 4112 PWs) bands (ev): -46.8559 -46.8559 -46.8537 -46.8537 -18.9298 -18.9298 -18.9231 -18.9231 -18.7691 -18.7691 -18.7503 -18.7503 -18.7225 -18.7225 -18.7041 -18.7041 -13.7717 -13.7717 -11.7668 -11.7668 -1.2087 -1.2087 -0.9975 -0.9975 -0.9447 -0.9447 -0.5204 -0.5204 2.9445 2.9445 3.2433 3.2433 9.0407 9.0407 9.6854 9.6854 10.1557 10.1557 11.1150 11.1150 k = 0.2778-0.2804 0.3417 ( 4112 PWs) bands (ev): -46.8557 -46.8557 -46.8538 -46.8538 -18.9297 -18.9297 -18.9237 -18.9237 -18.7698 -18.7698 -18.7502 -18.7502 -18.7230 -18.7230 -18.7048 -18.7048 -13.7659 -13.7659 -11.7632 -11.7632 -1.2115 -1.2115 -1.0182 -1.0182 -0.9641 -0.9641 -0.5006 -0.5006 2.9169 2.9169 3.2262 3.2262 9.0095 9.0095 9.7307 9.7307 10.1998 10.1998 11.1677 11.1677 k = 0.2857-0.2884 0.3417 ( 4110 PWs) bands (ev): -46.8555 -46.8555 -46.8538 -46.8538 -18.9296 -18.9296 -18.9242 -18.9242 -18.7704 -18.7704 -18.7502 -18.7502 -18.7235 -18.7235 -18.7055 -18.7055 -13.7603 -13.7603 -11.7598 -11.7598 -1.2145 -1.2145 -1.0378 -1.0378 -0.9840 -0.9840 -0.4797 -0.4797 2.8899 2.8899 3.2092 3.2092 8.9787 8.9787 9.7692 9.7692 10.2433 10.2433 11.2208 11.2208 k = 0.2937-0.2964 0.3417 ( 4108 PWs) bands (ev): -46.8553 -46.8553 -46.8539 -46.8539 -18.9295 -18.9295 -18.9247 -18.9247 -18.7710 -18.7710 -18.7502 -18.7502 -18.7240 -18.7240 -18.7061 -18.7061 -13.7548 -13.7548 -11.7565 -11.7565 -1.2176 -1.2176 -1.0563 -1.0563 -1.0043 -1.0043 -0.4580 -0.4580 2.8636 2.8636 3.1923 3.1923 8.9485 8.9485 9.8025 9.8025 10.2831 10.2831 11.2743 11.2743 k = 0.3016-0.3044 0.3417 ( 4110 PWs) bands (ev): -46.8551 -46.8551 -46.8539 -46.8539 -18.9295 -18.9295 -18.9252 -18.9252 -18.7715 -18.7715 -18.7502 -18.7502 -18.7245 -18.7245 -18.7068 -18.7068 -13.7495 -13.7495 -11.7534 -11.7534 -1.2210 -1.2210 -1.0736 -1.0736 -1.0247 -1.0247 -0.4357 -0.4357 2.8380 2.8380 3.1756 3.1756 8.9188 8.9188 9.8318 9.8318 10.3167 10.3167 11.3281 11.3281 k = 0.3095-0.3124 0.3417 ( 4104 PWs) bands (ev): -46.8549 -46.8549 -46.8540 -46.8540 -18.9294 -18.9294 -18.9255 -18.9255 -18.7720 -18.7720 -18.7503 -18.7503 -18.7249 -18.7249 -18.7075 -18.7075 -13.7444 -13.7444 -11.7504 -11.7504 -1.2245 -1.2245 -1.0898 -1.0898 -1.0450 -1.0450 -0.4130 -0.4130 2.8131 2.8131 3.1590 3.1590 8.8898 8.8898 9.8582 9.8582 10.3419 10.3419 11.3822 11.3822 k = 0.3175-0.3204 0.3417 ( 4100 PWs) bands (ev): -46.8547 -46.8547 -46.8540 -46.8540 -18.9294 -18.9294 -18.9258 -18.9258 -18.7725 -18.7725 -18.7503 -18.7503 -18.7253 -18.7253 -18.7081 -18.7081 -13.7394 -13.7394 -11.7475 -11.7475 -1.2282 -1.2282 -1.1049 -1.1049 -1.0651 -1.0651 -0.3902 -0.3902 2.7890 2.7890 3.1426 3.1426 8.8615 8.8615 9.8825 9.8825 10.3576 10.3576 11.4367 11.4367 k = 0.3254-0.3284 0.3417 ( 4096 PWs) bands (ev): -46.8546 -46.8546 -46.8541 -46.8541 -18.9295 -18.9295 -18.9260 -18.9260 -18.7729 -18.7729 -18.7505 -18.7505 -18.7257 -18.7257 -18.7087 -18.7087 -13.7346 -13.7346 -11.7448 -11.7448 -1.2320 -1.2320 -1.1189 -1.1189 -1.0848 -1.0848 -0.3673 -0.3673 2.7657 2.7657 3.1266 3.1266 8.8339 8.8339 9.9052 9.9052 10.3631 10.3631 11.4914 11.4914 k = 0.3333-0.3364 0.3417 ( 4094 PWs) bands (ev): -46.8544 -46.8544 -46.8541 -46.8541 -18.9296 -18.9296 -18.9261 -18.9261 -18.7733 -18.7733 -18.7506 -18.7506 -18.7261 -18.7261 -18.7093 -18.7093 -13.7301 -13.7301 -11.7422 -11.7422 -1.2359 -1.2359 -1.1317 -1.1317 -1.1041 -1.1041 -0.3444 -0.3444 2.7432 2.7432 3.1108 3.1108 8.8072 8.8072 9.9265 9.9265 10.3589 10.3589 11.5464 11.5464 k = 0.3413-0.3444 0.3417 ( 4094 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -18.9298 -18.9298 -18.9261 -18.9261 -18.7736 -18.7736 -18.7508 -18.7508 -18.7263 -18.7263 -18.7099 -18.7099 -13.7257 -13.7257 -11.7398 -11.7398 -1.2398 -1.2398 -1.1436 -1.1436 -1.1229 -1.1229 -0.3218 -0.3218 2.7216 2.7216 3.0954 3.0954 8.7813 8.7813 9.9467 9.9467 10.3458 10.3458 11.6017 11.6017 k = 0.3492-0.3525 0.3417 ( 4098 PWs) bands (ev): -46.8542 -46.8542 -46.8540 -46.8540 -18.9300 -18.9300 -18.9261 -18.9261 -18.7738 -18.7738 -18.7511 -18.7511 -18.7266 -18.7266 -18.7105 -18.7105 -13.7215 -13.7215 -11.7376 -11.7376 -1.2438 -1.2438 -1.1546 -1.1546 -1.1409 -1.1409 -0.2995 -0.2995 2.7010 2.7010 3.0805 3.0805 8.7564 8.7564 9.9657 9.9657 10.3252 10.3252 11.6572 11.6572 k = 0.3571-0.3605 0.3417 ( 4104 PWs) bands (ev): -46.8543 -46.8543 -46.8539 -46.8539 -18.9303 -18.9303 -18.9260 -18.9260 -18.7741 -18.7741 -18.7515 -18.7515 -18.7268 -18.7268 -18.7111 -18.7111 -13.7176 -13.7176 -11.7354 -11.7354 -1.2478 -1.2478 -1.1652 -1.1652 -1.1577 -1.1577 -0.2777 -0.2777 2.6812 2.6812 3.0659 3.0659 8.7325 8.7325 9.9832 9.9832 10.2990 10.2990 11.7129 11.7129 k = 0.3651-0.3685 0.3417 ( 4100 PWs) bands (ev): -46.8543 -46.8543 -46.8538 -46.8538 -18.9306 -18.9306 -18.9258 -18.9258 -18.7742 -18.7742 -18.7519 -18.7519 -18.7269 -18.7269 -18.7117 -18.7117 -13.7138 -13.7138 -11.7334 -11.7334 -1.2517 -1.2517 -1.1777 -1.1777 -1.1711 -1.1711 -0.2563 -0.2563 2.6624 2.6624 3.0519 3.0519 8.7095 8.7095 9.9986 9.9986 10.2692 10.2692 11.7688 11.7688 k = 0.3730-0.3765 0.3417 ( 4104 PWs) bands (ev): -46.8544 -46.8544 -46.8536 -46.8536 -18.9309 -18.9309 -18.9257 -18.9257 -18.7743 -18.7743 -18.7523 -18.7523 -18.7270 -18.7270 -18.7122 -18.7122 -13.7103 -13.7103 -11.7316 -11.7316 -1.2555 -1.2555 -1.1929 -1.1929 -1.1803 -1.1803 -0.2357 -0.2357 2.6446 2.6446 3.0384 3.0384 8.6877 8.6877 10.0109 10.0109 10.2385 10.2385 11.8247 11.8247 k = 0.3810-0.3845 0.3417 ( 4104 PWs) bands (ev): -46.8544 -46.8544 -46.8535 -46.8535 -18.9312 -18.9312 -18.9255 -18.9255 -18.7743 -18.7743 -18.7528 -18.7528 -18.7270 -18.7270 -18.7128 -18.7128 -13.7070 -13.7070 -11.7299 -11.7299 -1.2591 -1.2591 -1.2079 -1.2079 -1.1880 -1.1880 -0.2157 -0.2157 2.6278 2.6278 3.0255 3.0255 8.6669 8.6669 10.0180 10.0180 10.2100 10.2100 11.8806 11.8806 k = 0.3889-0.3925 0.3417 ( 4102 PWs) bands (ev): -46.8545 -46.8545 -46.8533 -46.8533 -18.9314 -18.9314 -18.9253 -18.9253 -18.7743 -18.7743 -18.7533 -18.7533 -18.7269 -18.7269 -18.7133 -18.7133 -13.7039 -13.7039 -11.7283 -11.7283 -1.2625 -1.2625 -1.2223 -1.2223 -1.1949 -1.1949 -0.1966 -0.1966 2.6120 2.6120 3.0133 3.0133 8.6473 8.6473 10.0170 10.0170 10.1879 10.1879 11.9363 11.9363 k = 0.3968-0.4005 0.3417 ( 4098 PWs) bands (ev): -46.8545 -46.8545 -46.8532 -46.8532 -18.9317 -18.9317 -18.9252 -18.9252 -18.7742 -18.7742 -18.7539 -18.7539 -18.7268 -18.7268 -18.7139 -18.7139 -13.7010 -13.7010 -11.7268 -11.7268 -1.2656 -1.2656 -1.2359 -1.2359 -1.2012 -1.2012 -0.1783 -0.1783 2.5972 2.5972 3.0016 3.0016 8.6289 8.6289 10.0053 10.0053 10.1757 10.1757 11.9918 11.9918 k = 0.4048-0.4085 0.3417 ( 4100 PWs) bands (ev): -46.8545 -46.8545 -46.8531 -46.8531 -18.9319 -18.9319 -18.9250 -18.9250 -18.7741 -18.7741 -18.7545 -18.7545 -18.7266 -18.7266 -18.7144 -18.7144 -13.6983 -13.6983 -11.7255 -11.7255 -1.2685 -1.2685 -1.2486 -1.2486 -1.2069 -1.2069 -0.1611 -0.1611 2.5835 2.5835 2.9907 2.9907 8.6118 8.6118 9.9836 9.9836 10.1733 10.1733 12.0469 12.0469 k = 0.4127-0.4165 0.3417 ( 4098 PWs) bands (ev): -46.8546 -46.8546 -46.8530 -46.8530 -18.9321 -18.9321 -18.9248 -18.9248 -18.7739 -18.7739 -18.7551 -18.7551 -18.7264 -18.7264 -18.7149 -18.7149 -13.6959 -13.6959 -11.7243 -11.7243 -1.2710 -1.2710 -1.2604 -1.2604 -1.2121 -1.2121 -0.1449 -0.1449 2.5708 2.5708 2.9805 2.9805 8.5958 8.5958 9.9556 9.9556 10.1778 10.1778 12.1013 12.1013 k = 0.4206-0.4245 0.3417 ( 4098 PWs) bands (ev): -46.8546 -46.8546 -46.8529 -46.8529 -18.9323 -18.9323 -18.9247 -18.9247 -18.7737 -18.7737 -18.7558 -18.7558 -18.7262 -18.7262 -18.7154 -18.7154 -13.6936 -13.6936 -11.7233 -11.7233 -1.2736 -1.2736 -1.2708 -1.2708 -1.2168 -1.2168 -0.1299 -0.1299 2.5592 2.5592 2.9711 2.9711 8.5812 8.5812 9.9249 9.9249 10.1859 10.1859 12.1547 12.1547 k = 0.4286-0.4326 0.3417 ( 4094 PWs) bands (ev): -46.8546 -46.8546 -46.8528 -46.8528 -18.9324 -18.9324 -18.9245 -18.9245 -18.7735 -18.7735 -18.7564 -18.7564 -18.7259 -18.7259 -18.7159 -18.7159 -13.6916 -13.6916 -11.7223 -11.7223 -1.2814 -1.2814 -1.2748 -1.2748 -1.2211 -1.2211 -0.1161 -0.1161 2.5487 2.5487 2.9624 2.9624 8.5678 8.5678 9.8939 9.8939 10.1957 10.1957 12.2067 12.2067 k = 0.4365-0.4406 0.3417 ( 4098 PWs) bands (ev): -46.8547 -46.8547 -46.8527 -46.8527 -18.9326 -18.9326 -18.9244 -18.9244 -18.7732 -18.7732 -18.7571 -18.7571 -18.7257 -18.7257 -18.7164 -18.7164 -13.6898 -13.6898 -11.7214 -11.7214 -1.2902 -1.2902 -1.2764 -1.2764 -1.2250 -1.2250 -0.1036 -0.1036 2.5392 2.5392 2.9546 2.9546 8.5558 8.5558 9.8642 9.8642 10.2059 10.2059 12.2569 12.2569 k = 0.4444-0.4486 0.3417 ( 4102 PWs) bands (ev): -46.8547 -46.8547 -46.8527 -46.8527 -18.9328 -18.9328 -18.9243 -18.9243 -18.7730 -18.7730 -18.7577 -18.7577 -18.7254 -18.7254 -18.7169 -18.7169 -13.6883 -13.6883 -11.7207 -11.7207 -1.2980 -1.2980 -1.2777 -1.2777 -1.2285 -1.2285 -0.0923 -0.0923 2.5308 2.5308 2.9476 2.9476 8.5452 8.5452 9.8366 9.8366 10.2157 10.2157 12.3047 12.3047 k = 0.4524-0.4566 0.3417 ( 4102 PWs) bands (ev): -46.8547 -46.8547 -46.8526 -46.8526 -18.9329 -18.9329 -18.9241 -18.9241 -18.7727 -18.7727 -18.7583 -18.7583 -18.7251 -18.7251 -18.7173 -18.7173 -13.6869 -13.6869 -11.7201 -11.7201 -1.3049 -1.3049 -1.2786 -1.2786 -1.2316 -1.2316 -0.0825 -0.0825 2.5236 2.5236 2.9415 2.9415 8.5359 8.5359 9.8119 9.8119 10.2249 10.2249 12.3494 12.3494 k = 0.4603-0.4646 0.3417 ( 4102 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9330 -18.9330 -18.9240 -18.9240 -18.7724 -18.7724 -18.7588 -18.7588 -18.7248 -18.7248 -18.7177 -18.7177 -13.6857 -13.6857 -11.7195 -11.7195 -1.3107 -1.3107 -1.2794 -1.2794 -1.2343 -1.2343 -0.0741 -0.0741 2.5174 2.5174 2.9363 2.9363 8.5280 8.5280 9.7904 9.7904 10.2331 10.2331 12.3901 12.3901 k = 0.4683-0.4726 0.3417 ( 4100 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9331 -18.9331 -18.9240 -18.9240 -18.7722 -18.7722 -18.7593 -18.7593 -18.7245 -18.7245 -18.7180 -18.7180 -13.6848 -13.6848 -11.7191 -11.7191 -1.3155 -1.3155 -1.2799 -1.2799 -1.2365 -1.2365 -0.0672 -0.0672 2.5124 2.5124 2.9321 2.9321 8.5216 8.5216 9.7725 9.7725 10.2400 10.2400 12.4257 12.4257 k = 0.4762-0.4806 0.3417 ( 4102 PWs) bands (ev): -46.8547 -46.8547 -46.8525 -46.8525 -18.9332 -18.9332 -18.9239 -18.9239 -18.7720 -18.7720 -18.7597 -18.7597 -18.7243 -18.7243 -18.7183 -18.7183 -13.6841 -13.6841 -11.7188 -11.7188 -1.3192 -1.3192 -1.2803 -1.2803 -1.2382 -1.2382 -0.0618 -0.0618 2.5085 2.5085 2.9287 2.9287 8.5165 8.5165 9.7584 9.7584 10.2455 10.2455 12.4552 12.4552 k = 0.4841-0.4886 0.3417 ( 4100 PWs) bands (ev): -46.8547 -46.8547 -46.8524 -46.8524 -18.9332 -18.9332 -18.9239 -18.9239 -18.7718 -18.7718 -18.7600 -18.7600 -18.7241 -18.7241 -18.7185 -18.7185 -13.6836 -13.6836 -11.7186 -11.7186 -1.3219 -1.3219 -1.2805 -1.2805 -1.2395 -1.2395 -0.0579 -0.0579 2.5057 2.5057 2.9263 2.9263 8.5129 8.5129 9.7482 9.7482 10.2495 10.2495 12.4773 12.4773 k = 0.4921-0.4966 0.3417 ( 4102 PWs) bands (ev): -46.8547 -46.8547 -46.8524 -46.8524 -18.9333 -18.9333 -18.9238 -18.9238 -18.7717 -18.7717 -18.7602 -18.7602 -18.7240 -18.7240 -18.7186 -18.7186 -13.6832 -13.6832 -11.7184 -11.7184 -1.3235 -1.3235 -1.2806 -1.2806 -1.2403 -1.2403 -0.0556 -0.0556 2.5040 2.5040 2.9249 2.9249 8.5107 8.5107 9.7420 9.7420 10.2519 10.2519 12.4911 12.4911 k = 0.5000-0.5046 0.3417 ( 4112 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9333 -18.9333 -18.9239 -18.9239 -18.7717 -18.7717 -18.7603 -18.7603 -18.7239 -18.7239 -18.7188 -18.7188 -13.6831 -13.6831 -11.7184 -11.7184 -1.3240 -1.3240 -1.2807 -1.2807 -1.2406 -1.2406 -0.0548 -0.0548 2.5035 2.5035 2.9244 2.9244 8.5100 8.5100 9.7400 9.7400 10.2527 10.2527 12.4958 12.4958 k = 0.5000-0.5046 0.3417 ( 4112 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9333 -18.9333 -18.9239 -18.9239 -18.7717 -18.7717 -18.7603 -18.7603 -18.7239 -18.7239 -18.7188 -18.7188 -13.6831 -13.6831 -11.7184 -11.7184 -1.3240 -1.3240 -1.2807 -1.2807 -1.2406 -1.2406 -0.0548 -0.0548 2.5035 2.5035 2.9244 2.9244 8.5100 8.5100 9.7400 9.7400 10.2527 10.2527 12.4958 12.4958 k = 0.4925-0.5121 0.3417 ( 4102 PWs) bands (ev): -46.8547 -46.8547 -46.8524 -46.8524 -18.9333 -18.9333 -18.9238 -18.9238 -18.7717 -18.7717 -18.7602 -18.7602 -18.7240 -18.7240 -18.7186 -18.7186 -13.6833 -13.6833 -11.7184 -11.7184 -1.3262 -1.3262 -1.2788 -1.2788 -1.2401 -1.2401 -0.0546 -0.0546 2.5040 2.5040 2.9245 2.9245 8.5103 8.5103 9.7412 9.7412 10.2528 10.2528 12.4963 12.4963 k = 0.4850-0.5195 0.3417 ( 4098 PWs) bands (ev): -46.8547 -46.8547 -46.8524 -46.8524 -18.9333 -18.9333 -18.9237 -18.9237 -18.7717 -18.7717 -18.7601 -18.7601 -18.7241 -18.7241 -18.7184 -18.7184 -13.6836 -13.6836 -11.7184 -11.7184 -1.3317 -1.3317 -1.2741 -1.2741 -1.2385 -1.2385 -0.0541 -0.0541 2.5054 2.5054 2.9248 2.9248 8.5112 8.5112 9.7448 9.7448 10.2531 10.2531 12.4980 12.4980 k = 0.4775-0.5269 0.3417 ( 4096 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9334 -18.9334 -18.9237 -18.9237 -18.7718 -18.7718 -18.7599 -18.7599 -18.7244 -18.7244 -18.7180 -18.7180 -13.6842 -13.6842 -11.7185 -11.7185 -1.3395 -1.3395 -1.2678 -1.2678 -1.2360 -1.2360 -0.0533 -0.0533 2.5079 2.5079 2.9253 2.9253 8.5126 8.5126 9.7508 9.7508 10.2536 10.2536 12.5008 12.5008 k = 0.4700-0.5344 0.3417 ( 4094 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9335 -18.9335 -18.9235 -18.9235 -18.7719 -18.7719 -18.7597 -18.7597 -18.7246 -18.7246 -18.7176 -18.7176 -13.6850 -13.6850 -11.7186 -11.7186 -1.3486 -1.3486 -1.2608 -1.2608 -1.2325 -1.2325 -0.0521 -0.0521 2.5113 2.5113 2.9260 2.9260 8.5147 8.5147 9.7590 9.7590 10.2544 10.2544 12.5047 12.5047 k = 0.4625-0.5418 0.3417 ( 4099 PWs) bands (ev): -46.8548 -46.8548 -46.8524 -46.8524 -18.9336 -18.9336 -18.9234 -18.9234 -18.7720 -18.7720 -18.7595 -18.7595 -18.7250 -18.7250 -18.7172 -18.7172 -13.6861 -13.6861 -11.7188 -11.7188 -1.3585 -1.3585 -1.2534 -1.2534 -1.2281 -1.2281 -0.0506 -0.0506 2.5157 2.5157 2.9269 2.9269 8.5173 8.5173 9.7694 9.7694 10.2553 10.2553 12.5097 12.5097 k = 0.4550-0.5492 0.3417 ( 4097 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9338 -18.9338 -18.9233 -18.9233 -18.7722 -18.7722 -18.7592 -18.7592 -18.7253 -18.7253 -18.7166 -18.7166 -13.6874 -13.6874 -11.7190 -11.7190 -1.3692 -1.3692 -1.2457 -1.2457 -1.2226 -1.2226 -0.0489 -0.0489 2.5211 2.5211 2.9281 2.9281 8.5205 8.5205 9.7817 9.7817 10.2563 10.2563 12.5158 12.5158 k = 0.4475-0.5567 0.3417 ( 4099 PWs) bands (ev): -46.8549 -46.8549 -46.8524 -46.8524 -18.9339 -18.9339 -18.9231 -18.9231 -18.7723 -18.7723 -18.7588 -18.7588 -18.7256 -18.7256 -18.7161 -18.7161 -13.6890 -13.6890 -11.7192 -11.7192 -1.3805 -1.3805 -1.2380 -1.2380 -1.2161 -1.2161 -0.0468 -0.0468 2.5274 2.5274 2.9295 2.9295 8.5242 8.5242 9.7957 9.7957 10.2576 10.2576 12.5229 12.5229 k = 0.4400-0.5641 0.3417 ( 4101 PWs) bands (ev): -46.8550 -46.8550 -46.8524 -46.8524 -18.9341 -18.9341 -18.9229 -18.9229 -18.7724 -18.7724 -18.7585 -18.7585 -18.7259 -18.7259 -18.7155 -18.7155 -13.6907 -13.6907 -11.7194 -11.7194 -1.3922 -1.3922 -1.2301 -1.2301 -1.2087 -1.2087 -0.0445 -0.0445 2.5347 2.5347 2.9311 2.9311 8.5286 8.5286 9.8112 9.8112 10.2590 10.2590 12.5311 12.5311 k = 0.5507-0.4545 0.0843 ( 4096 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9327 -18.9327 -18.9238 -18.9238 -18.7750 -18.7750 -18.7564 -18.7564 -18.7265 -18.7265 -18.7149 -18.7149 -13.6881 -13.6881 -11.7228 -11.7228 -1.3080 -1.3080 -1.2984 -1.2984 -1.2384 -1.2384 -0.0491 -0.0491 2.6327 2.6327 2.9375 2.9375 8.6348 8.6348 9.3778 9.3778 9.8883 9.8883 12.4322 12.4322 k = 0.5480-0.4571 0.0742 ( 4103 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9328 -18.9328 -18.9237 -18.9237 -18.7750 -18.7750 -18.7567 -18.7567 -18.7263 -18.7263 -18.7153 -18.7153 -13.6877 -13.6877 -11.7227 -11.7227 -1.3050 -1.3050 -1.3031 -1.3031 -1.2351 -1.2351 -0.0503 -0.0503 2.6160 2.6160 2.9504 2.9504 8.5937 8.5937 9.4272 9.4272 9.8826 9.8826 12.3874 12.3874 k = 0.5454-0.4597 0.0641 ( 4105 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9328 -18.9328 -18.9236 -18.9236 -18.7749 -18.7749 -18.7569 -18.7569 -18.7261 -18.7261 -18.7155 -18.7155 -13.6874 -13.6874 -11.7226 -11.7226 -1.3077 -1.3077 -1.3020 -1.3020 -1.2320 -1.2320 -0.0513 -0.0513 2.6007 2.6007 2.9617 2.9617 8.5574 8.5574 9.4726 9.4726 9.8778 9.8778 12.3444 12.3444 k = 0.5428-0.4623 0.0539 ( 4109 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9329 -18.9329 -18.9235 -18.9235 -18.7748 -18.7748 -18.7572 -18.7572 -18.7258 -18.7258 -18.7158 -18.7158 -13.6871 -13.6871 -11.7226 -11.7226 -1.3117 -1.3117 -1.2995 -1.2995 -1.2292 -1.2292 -0.0520 -0.0520 2.5869 2.5869 2.9715 2.9715 8.5261 8.5261 9.5131 9.5131 9.8742 9.8742 12.3045 12.3045 k = 0.5401-0.4649 0.0438 ( 4115 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9330 -18.9330 -18.9234 -18.9234 -18.7747 -18.7747 -18.7574 -18.7574 -18.7256 -18.7256 -18.7162 -18.7162 -13.6868 -13.6868 -11.7225 -11.7225 -1.3153 -1.3153 -1.2972 -1.2972 -1.2268 -1.2268 -0.0525 -0.0525 2.5747 2.5747 2.9794 2.9794 8.5002 8.5002 9.5476 9.5476 9.8718 9.8718 12.2687 12.2687 k = 0.5375-0.4675 0.0336 ( 4117 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9330 -18.9330 -18.9233 -18.9233 -18.7747 -18.7747 -18.7576 -18.7576 -18.7253 -18.7253 -18.7164 -18.7164 -13.6866 -13.6866 -11.7224 -11.7224 -1.3184 -1.3184 -1.2950 -1.2950 -1.2250 -1.2250 -0.0529 -0.0529 2.5643 2.5643 2.9855 2.9855 8.4795 8.4795 9.5756 9.5756 9.8707 9.8707 12.2382 12.2382 k = 0.5348-0.4701 0.0235 ( 4115 PWs) bands (ev): -46.8544 -46.8544 -46.8529 -46.8529 -18.9330 -18.9330 -18.9232 -18.9232 -18.7746 -18.7746 -18.7578 -18.7578 -18.7251 -18.7251 -18.7167 -18.7167 -13.6864 -13.6864 -11.7222 -11.7222 -1.3211 -1.3211 -1.2930 -1.2930 -1.2236 -1.2236 -0.0530 -0.0530 2.5557 2.5557 2.9896 2.9896 8.4644 8.4644 9.5966 9.5966 9.8706 9.8706 12.2139 12.2139 k = 0.5322-0.4727 0.0133 ( 4115 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9331 -18.9331 -18.9232 -18.9232 -18.7745 -18.7745 -18.7579 -18.7579 -18.7249 -18.7249 -18.7169 -18.7169 -13.6861 -13.6861 -11.7221 -11.7221 -1.3232 -1.3232 -1.2911 -1.2911 -1.2228 -1.2228 -0.0530 -0.0530 2.5490 2.5490 2.9917 2.9917 8.4549 8.4549 9.6105 9.6105 9.8708 9.8708 12.1969 12.1969 k = 0.5296-0.4753 0.0032 ( 4117 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9331 -18.9331 -18.9231 -18.9231 -18.7744 -18.7744 -18.7580 -18.7580 -18.7247 -18.7247 -18.7172 -18.7172 -13.6859 -13.6859 -11.7220 -11.7220 -1.3249 -1.3249 -1.2894 -1.2894 -1.2226 -1.2226 -0.0528 -0.0528 2.5442 2.5442 2.9917 2.9917 8.4509 8.4509 9.6176 9.6176 9.8708 9.8708 12.1877 12.1877 k = 0.5269-0.4780-0.0069 ( 4113 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9332 -18.9332 -18.9230 -18.9230 -18.7744 -18.7744 -18.7581 -18.7581 -18.7246 -18.7246 -18.7173 -18.7173 -13.6857 -13.6857 -11.7219 -11.7219 -1.3261 -1.3261 -1.2880 -1.2880 -1.2229 -1.2229 -0.0526 -0.0526 2.5415 2.5415 2.9896 2.9896 8.4527 8.4527 9.6182 9.6182 9.8698 9.8698 12.1868 12.1868 k = 0.5243-0.4806-0.0171 ( 4114 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9332 -18.9332 -18.9230 -18.9230 -18.7744 -18.7744 -18.7582 -18.7582 -18.7245 -18.7245 -18.7175 -18.7175 -13.6855 -13.6855 -11.7218 -11.7218 -1.3268 -1.3268 -1.2867 -1.2867 -1.2237 -1.2237 -0.0522 -0.0522 2.5409 2.5409 2.9854 2.9854 8.4601 8.4601 9.6126 9.6126 9.8675 9.8675 12.1943 12.1943 k = 0.5217-0.4832-0.0272 ( 4115 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9332 -18.9332 -18.9229 -18.9229 -18.7743 -18.7743 -18.7582 -18.7582 -18.7245 -18.7245 -18.7176 -18.7176 -13.6853 -13.6853 -11.7216 -11.7216 -1.3271 -1.3271 -1.2857 -1.2857 -1.2251 -1.2251 -0.0518 -0.0518 2.5423 2.5423 2.9792 2.9792 8.4731 8.4731 9.6009 9.6009 9.8637 9.8637 12.2103 12.2103 k = 0.5190-0.4858-0.0374 ( 4113 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9333 -18.9333 -18.9229 -18.9229 -18.7744 -18.7744 -18.7581 -18.7581 -18.7245 -18.7245 -18.7176 -18.7176 -13.6851 -13.6851 -11.7215 -11.7215 -1.3268 -1.3268 -1.2849 -1.2849 -1.2268 -1.2268 -0.0513 -0.0513 2.5457 2.5457 2.9709 2.9709 8.4916 8.4916 9.5833 9.5833 9.8589 9.8589 12.2343 12.2343 k = 0.5164-0.4884-0.0475 ( 4113 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9229 -18.9229 -18.7744 -18.7744 -18.7581 -18.7581 -18.7246 -18.7246 -18.7176 -18.7176 -13.6850 -13.6850 -11.7214 -11.7214 -1.3261 -1.3261 -1.2843 -1.2843 -1.2290 -1.2290 -0.0508 -0.0508 2.5511 2.5511 2.9608 2.9608 8.5157 8.5157 9.5595 9.5595 9.8536 9.8536 12.2658 12.2658 k = 0.5138-0.4910-0.0577 ( 4109 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9229 -18.9229 -18.7744 -18.7744 -18.7581 -18.7581 -18.7246 -18.7246 -18.7176 -18.7176 -13.6848 -13.6848 -11.7213 -11.7213 -1.3249 -1.3249 -1.2840 -1.2840 -1.2316 -1.2316 -0.0502 -0.0502 2.5585 2.5585 2.9488 2.9488 8.5450 8.5450 9.5298 9.5298 9.8484 9.8484 12.3041 12.3041 k = 0.5111-0.4936-0.0678 ( 4111 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9229 -18.9229 -18.7744 -18.7744 -18.7580 -18.7580 -18.7248 -18.7248 -18.7175 -18.7175 -13.6846 -13.6846 -11.7211 -11.7211 -1.3233 -1.3233 -1.2840 -1.2840 -1.2345 -1.2345 -0.0496 -0.0496 2.5678 2.5678 2.9352 2.9352 8.5795 8.5795 9.4943 9.4943 9.8437 9.8437 12.3483 12.3483 k = 0.5085-0.4962-0.0780 ( 4109 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9229 -18.9229 -18.7744 -18.7744 -18.7579 -18.7579 -18.7249 -18.7249 -18.7174 -18.7174 -13.6845 -13.6845 -11.7210 -11.7210 -1.3213 -1.3213 -1.2842 -1.2842 -1.2378 -1.2378 -0.0490 -0.0490 2.5788 2.5788 2.9200 2.9200 8.6190 8.6190 9.4537 9.4537 9.8398 9.8398 12.3975 12.3975 k = 0.5059-0.4988-0.0881 ( 4112 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9230 -18.9230 -18.7745 -18.7745 -18.7578 -18.7578 -18.7252 -18.7252 -18.7173 -18.7173 -13.6844 -13.6844 -11.7209 -11.7209 -1.3189 -1.3189 -1.2847 -1.2847 -1.2413 -1.2413 -0.0484 -0.0484 2.5915 2.5915 2.9034 2.9034 8.6633 8.6633 9.4085 9.4085 9.8367 9.8367 12.4507 12.4507 k = 0.5032-0.5014-0.0982 ( 4111 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9230 -18.9230 -18.7745 -18.7745 -18.7577 -18.7577 -18.7254 -18.7254 -18.7172 -18.7172 -13.6842 -13.6842 -11.7208 -11.7208 -1.3160 -1.3160 -1.2855 -1.2855 -1.2451 -1.2451 -0.0478 -0.0478 2.6058 2.6058 2.8856 2.8856 8.7122 8.7122 9.3596 9.3596 9.8344 9.8344 12.5072 12.5072 k = 0.5006-0.5041-0.1084 ( 4111 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9231 -18.9231 -18.7745 -18.7745 -18.7576 -18.7576 -18.7256 -18.7256 -18.7171 -18.7171 -13.6841 -13.6841 -11.7206 -11.7206 -1.3128 -1.3128 -1.2865 -1.2865 -1.2490 -1.2490 -0.0471 -0.0471 2.6214 2.6214 2.8667 2.8667 8.7655 8.7655 9.3077 9.3077 9.8327 9.8327 12.5659 12.5659 k = 0.4980-0.5067-0.1185 ( 4110 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9232 -18.9232 -18.7745 -18.7745 -18.7575 -18.7575 -18.7257 -18.7257 -18.7170 -18.7170 -13.6840 -13.6840 -11.7205 -11.7205 -1.3093 -1.3093 -1.2877 -1.2877 -1.2530 -1.2530 -0.0464 -0.0464 2.6384 2.6384 2.8470 2.8470 8.8228 8.8228 9.2536 9.2536 9.8316 9.8316 12.6262 12.6262 k = 0.4953-0.5093-0.1287 ( 4106 PWs) bands (ev): -46.8545 -46.8545 -46.8526 -46.8526 -18.9332 -18.9332 -18.9233 -18.9233 -18.7745 -18.7745 -18.7574 -18.7574 -18.7259 -18.7259 -18.7168 -18.7168 -13.6840 -13.6840 -11.7204 -11.7204 -1.3055 -1.3055 -1.2893 -1.2893 -1.2570 -1.2570 -0.0457 -0.0457 2.6563 2.6563 2.8267 2.8267 8.8839 8.8839 9.1981 9.1981 9.8308 9.8308 12.6871 12.6871 k = 0.4953-0.5093-0.1287 ( 4106 PWs) bands (ev): -46.8545 -46.8545 -46.8526 -46.8526 -18.9332 -18.9332 -18.9233 -18.9233 -18.7745 -18.7745 -18.7574 -18.7574 -18.7259 -18.7259 -18.7168 -18.7168 -13.6840 -13.6840 -11.7204 -11.7204 -1.3055 -1.3055 -1.2893 -1.2893 -1.2570 -1.2570 -0.0457 -0.0457 2.6563 2.6563 2.8267 2.8267 8.8839 8.8839 9.1981 9.1981 9.8308 9.8308 12.6871 12.6871 k = 0.4957-0.5089-0.1179 ( 4112 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9232 -18.9232 -18.7746 -18.7746 -18.7575 -18.7575 -18.7258 -18.7258 -18.7169 -18.7169 -13.6840 -13.6840 -11.7205 -11.7205 -1.3095 -1.3095 -1.2891 -1.2891 -1.2529 -1.2529 -0.0453 -0.0453 2.6390 2.6390 2.8488 2.8488 8.8172 8.8172 9.2527 9.2527 9.8324 9.8324 12.6324 12.6324 k = 0.4961-0.5085-0.1072 ( 4109 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9231 -18.9231 -18.7746 -18.7746 -18.7575 -18.7575 -18.7256 -18.7256 -18.7170 -18.7170 -13.6841 -13.6841 -11.7207 -11.7207 -1.3132 -1.3132 -1.2889 -1.2889 -1.2488 -1.2488 -0.0449 -0.0449 2.6225 2.6225 2.8701 2.8701 8.7550 8.7550 9.3058 9.3058 9.8341 9.8341 12.5768 12.5768 k = 0.4965-0.5081-0.0965 ( 4109 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9231 -18.9231 -18.7746 -18.7746 -18.7576 -18.7576 -18.7254 -18.7254 -18.7171 -18.7171 -13.6841 -13.6841 -11.7208 -11.7208 -1.3168 -1.3168 -1.2889 -1.2889 -1.2450 -1.2450 -0.0445 -0.0445 2.6072 2.6072 2.8902 2.8902 8.6975 8.6975 9.3566 9.3566 9.8359 9.8359 12.5213 12.5213 k = 0.4969-0.5077-0.0858 ( 4110 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9231 -18.9231 -18.7745 -18.7745 -18.7578 -18.7578 -18.7252 -18.7252 -18.7172 -18.7172 -13.6842 -13.6842 -11.7209 -11.7209 -1.3200 -1.3200 -1.2889 -1.2889 -1.2414 -1.2414 -0.0442 -0.0442 2.5930 2.5930 2.9089 2.9089 8.6452 8.6452 9.4043 9.4043 9.8383 9.8383 12.4673 12.4673 k = 0.4973-0.5073-0.0751 ( 4112 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9231 -18.9231 -18.7745 -18.7745 -18.7579 -18.7579 -18.7250 -18.7250 -18.7173 -18.7173 -13.6843 -13.6843 -11.7210 -11.7210 -1.3229 -1.3229 -1.2889 -1.2889 -1.2381 -1.2381 -0.0438 -0.0438 2.5802 2.5802 2.9260 2.9260 8.5983 8.5983 9.4481 9.4481 9.8412 9.8412 12.4157 12.4157 k = 0.4977-0.5070-0.0643 ( 4110 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9333 -18.9333 -18.9230 -18.9230 -18.7744 -18.7744 -18.7581 -18.7581 -18.7248 -18.7248 -18.7174 -18.7174 -13.6843 -13.6843 -11.7210 -11.7210 -1.3255 -1.3255 -1.2889 -1.2889 -1.2351 -1.2351 -0.0435 -0.0435 2.5689 2.5689 2.9413 2.9413 8.5570 8.5570 9.4870 9.4870 9.8450 9.8450 12.3679 12.3679 k = 0.4981-0.5066-0.0536 ( 4109 PWs) bands (ev): -46.8544 -46.8544 -46.8527 -46.8527 -18.9333 -18.9333 -18.9230 -18.9230 -18.7744 -18.7744 -18.7582 -18.7582 -18.7246 -18.7246 -18.7175 -18.7175 -13.6843 -13.6843 -11.7211 -11.7211 -1.3277 -1.3277 -1.2889 -1.2889 -1.2325 -1.2325 -0.0432 -0.0432 2.5591 2.5591 2.9546 2.9546 8.5217 8.5217 9.5204 9.5204 9.8496 9.8496 12.3249 12.3249 k = 0.4984-0.5062-0.0429 ( 4110 PWs) bands (ev): -46.8544 -46.8544 -46.8527 -46.8527 -18.9333 -18.9333 -18.9230 -18.9230 -18.7744 -18.7744 -18.7583 -18.7583 -18.7244 -18.7244 -18.7176 -18.7176 -13.6844 -13.6844 -11.7212 -11.7212 -1.3296 -1.3296 -1.2889 -1.2889 -1.2304 -1.2304 -0.0430 -0.0430 2.5510 2.5510 2.9657 2.9657 8.4925 8.4925 9.5477 9.5477 9.8547 9.8547 12.2879 12.2879 k = 0.4988-0.5058-0.0322 ( 4112 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9333 -18.9333 -18.9230 -18.9230 -18.7743 -18.7743 -18.7584 -18.7584 -18.7243 -18.7243 -18.7177 -18.7177 -13.6844 -13.6844 -11.7212 -11.7212 -1.3310 -1.3310 -1.2890 -1.2890 -1.2286 -1.2286 -0.0428 -0.0428 2.5446 2.5446 2.9745 2.9745 8.4696 8.4696 9.5687 9.5687 9.8599 9.8599 12.2578 12.2578 k = 0.4992-0.5054-0.0214 ( 4110 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9333 -18.9333 -18.9230 -18.9230 -18.7743 -18.7743 -18.7584 -18.7584 -18.7241 -18.7241 -18.7178 -18.7178 -13.6844 -13.6844 -11.7212 -11.7212 -1.3321 -1.3321 -1.2890 -1.2890 -1.2274 -1.2274 -0.0426 -0.0426 2.5400 2.5400 2.9809 2.9809 8.4531 8.4531 9.5834 9.5834 9.8643 9.8643 12.2357 12.2357 k = 0.4996-0.5050-0.0107 ( 4114 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9333 -18.9333 -18.9230 -18.9230 -18.7743 -18.7743 -18.7585 -18.7585 -18.7241 -18.7241 -18.7179 -18.7179 -13.6844 -13.6844 -11.7213 -11.7213 -1.3327 -1.3327 -1.2890 -1.2890 -1.2267 -1.2267 -0.0426 -0.0426 2.5372 2.5372 2.9848 2.9848 8.4432 8.4432 9.5921 9.5921 9.8674 9.8674 12.2221 12.2221 k = 0.5000-0.5046 0.0000 ( 4114 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9333 -18.9333 -18.9230 -18.9230 -18.7743 -18.7743 -18.7585 -18.7585 -18.7241 -18.7241 -18.7179 -18.7179 -13.6844 -13.6844 -11.7213 -11.7213 -1.3329 -1.3329 -1.2890 -1.2890 -1.2264 -1.2264 -0.0425 -0.0425 2.5363 2.5363 2.9860 2.9860 8.4399 8.4399 9.5950 9.5950 9.8685 9.8685 12.2175 12.2175 k = 0.5000-0.5046 0.0000 ( 4114 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9333 -18.9333 -18.9230 -18.9230 -18.7743 -18.7743 -18.7585 -18.7585 -18.7241 -18.7241 -18.7179 -18.7179 -13.6844 -13.6844 -11.7213 -11.7213 -1.3329 -1.3329 -1.2890 -1.2890 -1.2264 -1.2264 -0.0425 -0.0425 2.5363 2.5363 2.9860 2.9860 8.4399 8.4399 9.5950 9.5950 9.8685 9.8685 12.2175 12.2175 k = 0.4921-0.4966-0.0000 ( 4112 PWs) bands (ev): -46.8544 -46.8544 -46.8528 -46.8528 -18.9333 -18.9333 -18.9230 -18.9230 -18.7743 -18.7743 -18.7585 -18.7585 -18.7241 -18.7241 -18.7178 -18.7178 -13.6846 -13.6846 -11.7213 -11.7213 -1.3359 -1.3359 -1.2862 -1.2862 -1.2259 -1.2259 -0.0424 -0.0424 2.5367 2.5367 2.9859 2.9859 8.4402 8.4402 9.5966 9.5966 9.8690 9.8690 12.2180 12.2180 k = 0.4841-0.4886-0.0000 ( 4114 PWs) bands (ev): -46.8545 -46.8545 -46.8528 -46.8528 -18.9333 -18.9333 -18.9229 -18.9229 -18.7744 -18.7744 -18.7584 -18.7584 -18.7243 -18.7243 -18.7176 -18.7176 -13.6850 -13.6850 -11.7213 -11.7213 -1.3431 -1.3431 -1.2794 -1.2794 -1.2243 -1.2243 -0.0420 -0.0420 2.5379 2.5379 2.9855 2.9855 8.4411 8.4411 9.6013 9.6013 9.8707 9.8707 12.2194 12.2194 k = 0.4762-0.4806-0.0000 ( 4118 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9334 -18.9334 -18.9229 -18.9229 -18.7744 -18.7744 -18.7582 -18.7582 -18.7245 -18.7245 -18.7174 -18.7174 -13.6856 -13.6856 -11.7214 -11.7214 -1.3526 -1.3526 -1.2706 -1.2706 -1.2217 -1.2217 -0.0414 -0.0414 2.5400 2.5400 2.9847 2.9847 8.4427 8.4427 9.6092 9.6092 9.8734 9.8734 12.2217 12.2217 k = 0.4683-0.4726-0.0000 ( 4112 PWs) bands (ev): -46.8545 -46.8545 -46.8527 -46.8527 -18.9335 -18.9335 -18.9227 -18.9227 -18.7745 -18.7745 -18.7579 -18.7579 -18.7247 -18.7247 -18.7170 -18.7170 -13.6866 -13.6866 -11.7214 -11.7214 -1.3633 -1.3633 -1.2609 -1.2609 -1.2180 -1.2180 -0.0405 -0.0405 2.5428 2.5428 2.9838 2.9838 8.4448 8.4448 9.6200 9.6200 9.8772 9.8772 12.2248 12.2248 k = 0.4603-0.4646-0.0000 ( 4112 PWs) bands (ev): -46.8546 -46.8546 -46.8527 -46.8527 -18.9336 -18.9336 -18.9226 -18.9226 -18.7747 -18.7747 -18.7576 -18.7576 -18.7250 -18.7250 -18.7166 -18.7166 -13.6878 -13.6878 -11.7215 -11.7215 -1.3746 -1.3746 -1.2508 -1.2508 -1.2133 -1.2133 -0.0394 -0.0394 2.5465 2.5465 2.9826 2.9826 8.4476 8.4476 9.6336 9.6336 9.8821 9.8821 12.2287 12.2287 k = 0.4524-0.4566-0.0000 ( 4114 PWs) bands (ev): -46.8546 -46.8546 -46.8527 -46.8527 -18.9338 -18.9338 -18.9224 -18.9224 -18.7748 -18.7748 -18.7572 -18.7572 -18.7253 -18.7253 -18.7162 -18.7162 -13.6892 -13.6892 -11.7216 -11.7216 -1.3864 -1.3864 -1.2405 -1.2405 -1.2076 -1.2076 -0.0381 -0.0381 2.5510 2.5510 2.9812 2.9812 8.4511 8.4511 9.6497 9.6497 9.8879 9.8879 12.2334 12.2334 k = 0.4444-0.4486-0.0000 ( 4108 PWs) bands (ev): -46.8547 -46.8547 -46.8527 -46.8527 -18.9339 -18.9339 -18.9222 -18.9222 -18.7749 -18.7749 -18.7568 -18.7568 -18.7256 -18.7256 -18.7157 -18.7157 -13.6909 -13.6909 -11.7217 -11.7217 -1.3986 -1.3986 -1.2300 -1.2300 -1.2008 -1.2008 -0.0366 -0.0366 2.5563 2.5563 2.9796 2.9796 8.4551 8.4551 9.6681 9.6681 9.8947 9.8947 12.2387 12.2387 k = 0.4365-0.4406-0.0000 ( 4106 PWs) bands (ev): -46.8547 -46.8547 -46.8527 -46.8527 -18.9341 -18.9341 -18.9219 -18.9219 -18.7751 -18.7751 -18.7563 -18.7563 -18.7258 -18.7258 -18.7152 -18.7152 -13.6929 -13.6929 -11.7219 -11.7219 -1.4111 -1.4111 -1.2193 -1.2193 -1.1930 -1.1930 -0.0348 -0.0348 2.5625 2.5625 2.9779 2.9779 8.4599 8.4599 9.6884 9.6884 9.9024 9.9024 12.2445 12.2445 k = 0.4286-0.4326-0.0000 ( 4108 PWs) bands (ev): -46.8548 -46.8548 -46.8526 -46.8526 -18.9343 -18.9343 -18.9217 -18.9217 -18.7752 -18.7752 -18.7559 -18.7559 -18.7261 -18.7261 -18.7146 -18.7146 -13.6952 -13.6952 -11.7221 -11.7221 -1.4238 -1.4238 -1.2086 -1.2086 -1.1843 -1.1843 -0.0329 -0.0329 2.5694 2.5694 2.9762 2.9762 8.4653 8.4653 9.7100 9.7100 9.9109 9.9109 12.2507 12.2507 k = 0.4206-0.4245-0.0000 ( 4106 PWs) bands (ev): -46.8549 -46.8549 -46.8526 -46.8526 -18.9346 -18.9346 -18.9214 -18.9214 -18.7754 -18.7754 -18.7554 -18.7554 -18.7263 -18.7263 -18.7141 -18.7141 -13.6977 -13.6977 -11.7224 -11.7224 -1.4368 -1.4368 -1.1976 -1.1976 -1.1745 -1.1745 -0.0308 -0.0308 2.5772 2.5772 2.9745 2.9745 8.4714 8.4714 9.7327 9.7327 9.9202 9.9202 12.2572 12.2572 k = 0.4127-0.4165 0.0000 ( 4100 PWs) bands (ev): -46.8550 -46.8550 -46.8526 -46.8526 -18.9348 -18.9348 -18.9210 -18.9210 -18.7754 -18.7754 -18.7549 -18.7549 -18.7265 -18.7265 -18.7135 -18.7135 -13.7005 -13.7005 -11.7227 -11.7227 -1.4500 -1.4500 -1.1865 -1.1865 -1.1638 -1.1638 -0.0285 -0.0285 2.5857 2.5857 2.9729 2.9729 8.4782 8.4782 9.7556 9.7556 9.9303 9.9303 12.2637 12.2637 k = 0.4048-0.4085 0.0000 ( 4104 PWs) bands (ev): -46.8551 -46.8551 -46.8525 -46.8525 -18.9350 -18.9350 -18.9207 -18.9207 -18.7755 -18.7755 -18.7544 -18.7544 -18.7266 -18.7266 -18.7130 -18.7130 -13.7036 -13.7036 -11.7230 -11.7230 -1.4634 -1.4634 -1.1752 -1.1752 -1.1522 -1.1522 -0.0260 -0.0260 2.5951 2.5951 2.9713 2.9713 8.4857 8.4857 9.7782 9.7782 9.9410 9.9410 12.2701 12.2701 k = 0.3968-0.4005 0.0000 ( 4102 PWs) bands (ev): -46.8552 -46.8552 -46.8525 -46.8525 -18.9353 -18.9353 -18.9203 -18.9203 -18.7756 -18.7756 -18.7539 -18.7539 -18.7268 -18.7268 -18.7125 -18.7125 -13.7069 -13.7069 -11.7235 -11.7235 -1.4771 -1.4771 -1.1637 -1.1637 -1.1397 -1.1397 -0.0235 -0.0235 2.6053 2.6053 2.9700 2.9700 8.4938 8.4938 9.7997 9.7997 9.9523 9.9523 12.2762 12.2762 k = 0.3889-0.3925 0.0000 ( 4104 PWs) bands (ev): -46.8554 -46.8554 -46.8525 -46.8525 -18.9356 -18.9356 -18.9199 -18.9199 -18.7756 -18.7756 -18.7535 -18.7535 -18.7268 -18.7268 -18.7119 -18.7119 -13.7105 -13.7105 -11.7239 -11.7239 -1.4909 -1.4909 -1.1518 -1.1518 -1.1262 -1.1262 -0.0208 -0.0208 2.6162 2.6162 2.9690 2.9690 8.5025 8.5025 9.8192 9.8192 9.9640 9.9640 12.2819 12.2819 k = 0.3810-0.3845 0.0000 ( 4104 PWs) bands (ev): -46.8555 -46.8555 -46.8524 -46.8524 -18.9358 -18.9358 -18.9195 -18.9195 -18.7756 -18.7756 -18.7530 -18.7530 -18.7268 -18.7268 -18.7114 -18.7114 -13.7143 -13.7143 -11.7245 -11.7245 -1.5049 -1.5049 -1.1397 -1.1397 -1.1118 -1.1118 -0.0180 -0.0180 2.6280 2.6280 2.9683 2.9683 8.5119 8.5119 9.8360 9.8360 9.9762 9.9762 12.2873 12.2873 k = 0.3730-0.3765 0.0000 ( 4112 PWs) bands (ev): -46.8556 -46.8556 -46.8524 -46.8524 -18.9362 -18.9362 -18.9191 -18.9191 -18.7756 -18.7756 -18.7526 -18.7526 -18.7267 -18.7267 -18.7108 -18.7108 -13.7184 -13.7184 -11.7251 -11.7251 -1.5192 -1.5192 -1.1272 -1.1272 -1.0966 -1.0966 -0.0152 -0.0152 2.6405 2.6405 2.9680 2.9680 8.5217 8.5217 9.8490 9.8490 9.9887 9.9887 12.2925 12.2925 k = 0.3651-0.3685 0.0000 ( 4106 PWs) bands (ev): -46.8558 -46.8558 -46.8523 -46.8523 -18.9364 -18.9364 -18.9186 -18.9186 -18.7756 -18.7756 -18.7522 -18.7522 -18.7265 -18.7265 -18.7103 -18.7103 -13.7228 -13.7228 -11.7258 -11.7258 -1.5336 -1.5336 -1.1142 -1.1142 -1.0806 -1.0806 -0.0124 -0.0124 2.6538 2.6538 2.9682 2.9682 8.5320 8.5320 9.8575 9.8575 10.0015 10.0015 12.2981 12.2981 k = 0.3571-0.3605 0.0000 ( 4106 PWs) bands (ev): -46.8559 -46.8559 -46.8523 -46.8523 -18.9367 -18.9367 -18.9180 -18.9180 -18.7755 -18.7755 -18.7518 -18.7518 -18.7263 -18.7263 -18.7097 -18.7097 -13.7274 -13.7274 -11.7266 -11.7266 -1.5481 -1.5481 -1.1008 -1.1008 -1.0638 -1.0638 -0.0094 -0.0094 2.6679 2.6679 2.9690 2.9690 8.5425 8.5425 9.8607 9.8607 10.0144 10.0144 12.3048 12.3048 k = 0.3492-0.3525 0.0000 ( 4102 PWs) bands (ev): -46.8561 -46.8561 -46.8522 -46.8522 -18.9370 -18.9370 -18.9175 -18.9175 -18.7754 -18.7754 -18.7514 -18.7514 -18.7260 -18.7260 -18.7092 -18.7092 -13.7323 -13.7323 -11.7274 -11.7274 -1.5629 -1.5629 -1.0869 -1.0869 -1.0461 -1.0461 -0.0065 -0.0065 2.6827 2.6827 2.9703 2.9703 8.5533 8.5533 9.8580 9.8580 10.0275 10.0275 12.3133 12.3133 k = 0.3413-0.3444 0.0000 ( 4102 PWs) bands (ev): -46.8563 -46.8563 -46.8522 -46.8522 -18.9373 -18.9373 -18.9169 -18.9169 -18.7753 -18.7753 -18.7510 -18.7510 -18.7257 -18.7257 -18.7087 -18.7087 -13.7374 -13.7374 -11.7284 -11.7284 -1.5778 -1.5778 -1.0724 -1.0724 -1.0278 -1.0278 -0.0036 -0.0036 2.6982 2.6982 2.9724 2.9724 8.5639 8.5639 9.8489 9.8489 10.0405 10.0405 12.3243 12.3243 k = 0.3333-0.3364 0.0000 ( 4096 PWs) bands (ev): -46.8564 -46.8564 -46.8521 -46.8521 -18.9376 -18.9376 -18.9162 -18.9162 -18.7751 -18.7751 -18.7506 -18.7506 -18.7252 -18.7252 -18.7081 -18.7081 -13.7427 -13.7427 -11.7295 -11.7295 -1.5928 -1.5928 -1.0574 -1.0574 -1.0087 -1.0087 -0.0007 -0.0007 2.7145 2.7145 2.9752 2.9752 8.5743 8.5743 9.8333 9.8333 10.0534 10.0534 12.3383 12.3383 k = 0.3254-0.3284-0.0000 ( 4092 PWs) bands (ev): -46.8566 -46.8566 -46.8521 -46.8521 -18.9379 -18.9379 -18.9155 -18.9155 -18.7750 -18.7750 -18.7503 -18.7503 -18.7247 -18.7247 -18.7076 -18.7076 -13.7483 -13.7483 -11.7306 -11.7306 -1.6079 -1.6079 -1.0417 -1.0417 -0.9890 -0.9890 0.0021 0.0021 2.7315 2.7315 2.9788 2.9788 8.5839 8.5839 9.8114 9.8114 10.0662 10.0662 12.3554 12.3554 k = 0.3175-0.3204-0.0000 ( 4092 PWs) bands (ev): -46.8568 -46.8568 -46.8520 -46.8520 -18.9382 -18.9382 -18.9148 -18.9148 -18.7748 -18.7748 -18.7499 -18.7499 -18.7242 -18.7242 -18.7072 -18.7072 -13.7541 -13.7541 -11.7319 -11.7319 -1.6232 -1.6232 -1.0254 -1.0254 -0.9686 -0.9686 0.0049 0.0049 2.7491 2.7491 2.9833 2.9833 8.5925 8.5925 9.7838 9.7838 10.0787 10.0787 12.3752 12.3752 k = 0.3095-0.3124-0.0000 ( 4094 PWs) bands (ev): -46.8570 -46.8570 -46.8519 -46.8519 -18.9385 -18.9385 -18.9141 -18.9141 -18.7746 -18.7746 -18.7496 -18.7496 -18.7236 -18.7236 -18.7067 -18.7067 -13.7601 -13.7601 -11.7333 -11.7333 -1.6387 -1.6387 -1.0084 -1.0084 -0.9476 -0.9476 0.0076 0.0076 2.7673 2.7673 2.9886 2.9886 8.5993 8.5993 9.7513 9.7513 10.0909 10.0909 12.3969 12.3969 k = 0.3016-0.3044-0.0000 ( 4098 PWs) bands (ev): -46.8571 -46.8571 -46.8519 -46.8519 -18.9388 -18.9388 -18.9134 -18.9134 -18.7744 -18.7744 -18.7493 -18.7493 -18.7229 -18.7229 -18.7063 -18.7063 -13.7663 -13.7663 -11.7348 -11.7348 -1.6542 -1.6542 -0.9906 -0.9906 -0.9261 -0.9261 0.0102 0.0102 2.7862 2.7862 2.9949 2.9949 8.6037 8.6037 9.7151 9.7151 10.1027 10.1027 12.4196 12.4196 k = 0.2937-0.2964-0.0000 ( 4098 PWs) bands (ev): -46.8573 -46.8573 -46.8518 -46.8518 -18.9391 -18.9391 -18.9126 -18.9126 -18.7742 -18.7742 -18.7489 -18.7489 -18.7222 -18.7222 -18.7058 -18.7058 -13.7727 -13.7727 -11.7364 -11.7364 -1.6698 -1.6698 -0.9721 -0.9721 -0.9041 -0.9041 0.0127 0.0127 2.8056 2.8056 3.0021 3.0021 8.6049 8.6049 9.6767 9.6767 10.1140 10.1140 12.4421 12.4421 k = 0.2857-0.2884-0.0000 ( 4096 PWs) bands (ev): -46.8575 -46.8575 -46.8518 -46.8518 -18.9394 -18.9394 -18.9117 -18.9117 -18.7740 -18.7740 -18.7485 -18.7485 -18.7215 -18.7215 -18.7054 -18.7054 -13.7793 -13.7793 -11.7381 -11.7381 -1.6854 -1.6854 -0.9529 -0.9529 -0.8816 -0.8816 0.0151 0.0151 2.8255 2.8255 3.0102 3.0102 8.6017 8.6017 9.6378 9.6378 10.1248 10.1248 12.4634 12.4634 k = 0.2778-0.2804-0.0000 ( 4100 PWs) bands (ev): -46.8577 -46.8577 -46.8517 -46.8517 -18.9397 -18.9397 -18.9109 -18.9109 -18.7739 -18.7739 -18.7481 -18.7481 -18.7207 -18.7207 -18.7049 -18.7049 -13.7860 -13.7860 -11.7400 -11.7400 -1.7012 -1.7012 -0.9329 -0.9329 -0.8588 -0.8588 0.0174 0.0174 2.8460 2.8460 3.0194 3.0194 8.5932 8.5932 9.6002 9.6002 10.1350 10.1350 12.4826 12.4826 k = 0.2698-0.2724-0.0000 ( 4100 PWs) bands (ev): -46.8579 -46.8579 -46.8517 -46.8517 -18.9400 -18.9400 -18.9100 -18.9100 -18.7737 -18.7737 -18.7477 -18.7477 -18.7199 -18.7199 -18.7045 -18.7045 -13.7929 -13.7929 -11.7419 -11.7419 -1.7169 -1.7169 -0.9121 -0.9121 -0.8355 -0.8355 0.0195 0.0195 2.8669 2.8669 3.0295 3.0295 8.5780 8.5780 9.5660 9.5660 10.1445 10.1445 12.4989 12.4989 k = 0.2619-0.2643-0.0000 ( 4100 PWs) bands (ev): -46.8581 -46.8581 -46.8516 -46.8516 -18.9403 -18.9403 -18.9091 -18.9091 -18.7735 -18.7735 -18.7472 -18.7472 -18.7190 -18.7190 -18.7041 -18.7041 -13.8000 -13.8000 -11.7439 -11.7439 -1.7326 -1.7326 -0.8905 -0.8905 -0.8120 -0.8120 0.0215 0.0215 2.8882 2.8882 3.0407 3.0407 8.5551 8.5551 9.5368 9.5368 10.1532 10.1532 12.5117 12.5117 k = 0.2540-0.2563-0.0000 ( 4098 PWs) bands (ev): -46.8583 -46.8583 -46.8515 -46.8515 -18.9405 -18.9405 -18.9082 -18.9082 -18.7733 -18.7733 -18.7467 -18.7467 -18.7182 -18.7182 -18.7037 -18.7037 -13.8071 -13.8071 -11.7461 -11.7461 -1.7483 -1.7483 -0.8681 -0.8681 -0.7882 -0.7882 0.0234 0.0234 2.9099 2.9099 3.0528 3.0528 8.5238 8.5238 9.5140 9.5140 10.1612 10.1612 12.5204 12.5204 k = 0.2460-0.2483 0.0000 ( 4098 PWs) bands (ev): -46.8585 -46.8585 -46.8515 -46.8515 -18.9408 -18.9408 -18.9072 -18.9072 -18.7732 -18.7732 -18.7461 -18.7461 -18.7173 -18.7173 -18.7032 -18.7032 -13.8144 -13.8144 -11.7483 -11.7483 -1.7640 -1.7640 -0.8450 -0.8450 -0.7642 -0.7642 0.0252 0.0252 2.9318 2.9318 3.0658 3.0658 8.4837 8.4837 9.4987 9.4987 10.1684 10.1684 12.5245 12.5245 k = 0.2381-0.2403-0.0000 ( 4096 PWs) bands (ev): -46.8587 -46.8587 -46.8514 -46.8514 -18.9411 -18.9411 -18.9062 -18.9062 -18.7731 -18.7731 -18.7455 -18.7455 -18.7164 -18.7164 -18.7028 -18.7028 -13.8218 -13.8218 -11.7506 -11.7506 -1.7795 -1.7795 -0.8211 -0.8211 -0.7401 -0.7401 0.0269 0.0269 2.9540 2.9540 3.0797 3.0797 8.4351 8.4351 9.4912 9.4912 10.1746 10.1746 12.5235 12.5235 k = 0.2302-0.2323-0.0000 ( 4092 PWs) bands (ev): -46.8589 -46.8589 -46.8513 -46.8513 -18.9413 -18.9413 -18.9051 -18.9051 -18.7729 -18.7729 -18.7448 -18.7448 -18.7155 -18.7155 -18.7024 -18.7024 -13.8292 -13.8292 -11.7530 -11.7530 -1.7950 -1.7950 -0.7965 -0.7965 -0.7160 -0.7160 0.0284 0.0284 2.9763 2.9763 3.0946 3.0946 8.3786 8.3786 9.4913 9.4913 10.1800 10.1800 12.5170 12.5170 k = 0.2222-0.2243-0.0000 ( 4092 PWs) bands (ev): -46.8591 -46.8591 -46.8513 -46.8513 -18.9416 -18.9416 -18.9041 -18.9041 -18.7729 -18.7729 -18.7441 -18.7441 -18.7147 -18.7147 -18.7019 -18.7019 -13.8367 -13.8367 -11.7555 -11.7555 -1.8104 -1.8104 -0.7713 -0.7713 -0.6918 -0.6918 0.0298 0.0298 2.9988 2.9988 3.1102 3.1102 8.3153 8.3153 9.4985 9.4985 10.1844 10.1844 12.5047 12.5047 k = 0.2143-0.2163-0.0000 ( 4090 PWs) bands (ev): -46.8593 -46.8593 -46.8512 -46.8512 -18.9418 -18.9418 -18.9031 -18.9031 -18.7728 -18.7728 -18.7434 -18.7434 -18.7139 -18.7139 -18.7015 -18.7015 -13.8441 -13.8441 -11.7580 -11.7580 -1.8255 -1.8255 -0.7455 -0.7455 -0.6677 -0.6677 0.0311 0.0311 3.0212 3.0212 3.1266 3.1266 8.2463 8.2463 9.5119 9.5119 10.1879 10.1879 12.4865 12.4865 k = 0.2063-0.2083 0.0000 ( 4090 PWs) bands (ev): -46.8595 -46.8595 -46.8511 -46.8511 -18.9420 -18.9420 -18.9020 -18.9020 -18.7727 -18.7727 -18.7426 -18.7426 -18.7131 -18.7131 -18.7010 -18.7010 -13.8517 -13.8517 -11.7606 -11.7606 -1.8405 -1.8405 -0.7191 -0.7191 -0.6438 -0.6438 0.0324 0.0324 3.0437 3.0437 3.1437 3.1437 8.1729 8.1729 9.5308 9.5308 10.1903 10.1903 12.4624 12.4624 k = 0.1984-0.2003 0.0000 ( 4086 PWs) bands (ev): -46.8597 -46.8597 -46.8511 -46.8511 -18.9423 -18.9423 -18.9009 -18.9009 -18.7727 -18.7727 -18.7417 -18.7417 -18.7124 -18.7124 -18.7005 -18.7005 -13.8591 -13.8591 -11.7633 -11.7633 -1.8553 -1.8553 -0.6921 -0.6921 -0.6200 -0.6200 0.0335 0.0335 3.0660 3.0660 3.1615 3.1615 8.0962 8.0962 9.5545 9.5545 10.1918 10.1918 12.4326 12.4326 k = 0.1905-0.1922 0.0000 ( 4086 PWs) bands (ev): -46.8599 -46.8599 -46.8510 -46.8510 -18.9425 -18.9425 -18.8998 -18.8998 -18.7727 -18.7727 -18.7409 -18.7409 -18.7117 -18.7117 -18.6999 -18.6999 -13.8666 -13.8666 -11.7660 -11.7660 -1.8698 -1.8698 -0.6648 -0.6648 -0.5966 -0.5966 0.0346 0.0346 3.0881 3.0881 3.1798 3.1798 8.0172 8.0172 9.5821 9.5821 10.1923 10.1923 12.3977 12.3977 k = 0.1825-0.1842 0.0000 ( 4082 PWs) bands (ev): -46.8601 -46.8601 -46.8510 -46.8510 -18.9427 -18.9427 -18.8988 -18.8988 -18.7727 -18.7727 -18.7400 -18.7400 -18.7111 -18.7111 -18.6992 -18.6992 -13.8740 -13.8740 -11.7687 -11.7687 -1.8840 -1.8840 -0.6372 -0.6372 -0.5735 -0.5735 0.0357 0.0357 3.1100 3.1100 3.1985 3.1985 7.9369 7.9369 9.6130 9.6130 10.1919 10.1919 12.3581 12.3581 k = 0.1746-0.1762 0.0000 ( 4082 PWs) bands (ev): -46.8602 -46.8602 -46.8509 -46.8509 -18.9429 -18.9429 -18.8977 -18.8977 -18.7727 -18.7727 -18.7391 -18.7391 -18.7106 -18.7106 -18.6986 -18.6986 -13.8813 -13.8813 -11.7714 -11.7714 -1.8978 -1.8978 -0.6092 -0.6092 -0.5508 -0.5508 0.0366 0.0366 3.1316 3.1316 3.2176 3.2176 7.8559 7.8559 9.6468 9.6468 10.1906 10.1906 12.3145 12.3145 k = 0.1667-0.1682-0.0000 ( 4086 PWs) bands (ev): -46.8604 -46.8604 -46.8508 -46.8508 -18.9431 -18.9431 -18.8967 -18.8967 -18.7727 -18.7727 -18.7382 -18.7382 -18.7102 -18.7102 -18.6979 -18.6979 -13.8885 -13.8885 -11.7741 -11.7741 -1.9114 -1.9114 -0.5812 -0.5812 -0.5286 -0.5286 0.0376 0.0376 3.1527 3.1527 3.2370 3.2370 7.7751 7.7751 9.6830 9.6830 10.1883 10.1883 12.2676 12.2676 k = 0.1587-0.1602-0.0000 ( 4086 PWs) bands (ev): -46.8606 -46.8606 -46.8508 -46.8508 -18.9433 -18.9433 -18.8956 -18.8956 -18.7727 -18.7727 -18.7372 -18.7372 -18.7099 -18.7099 -18.6971 -18.6971 -13.8955 -13.8955 -11.7769 -11.7769 -1.9245 -1.9245 -0.5531 -0.5531 -0.5069 -0.5069 0.0386 0.0386 3.1733 3.1733 3.2566 3.2566 7.6949 7.6949 9.7212 9.7212 10.1852 10.1852 12.2179 12.2179 k = 0.1508-0.1522-0.0000 ( 4087 PWs) bands (ev): -46.8608 -46.8608 -46.8507 -46.8507 -18.9435 -18.9435 -18.8946 -18.8946 -18.7728 -18.7728 -18.7362 -18.7362 -18.7097 -18.7097 -18.6963 -18.6963 -13.9024 -13.9024 -11.7795 -11.7795 -1.9372 -1.9372 -0.5251 -0.5251 -0.4859 -0.4859 0.0396 0.0396 3.1933 3.1933 3.2761 3.2761 7.6160 7.6160 9.7611 9.7611 10.1813 10.1813 12.1661 12.1661 k = 0.1429-0.1442-0.0000 ( 4093 PWs) bands (ev): -46.8609 -46.8609 -46.8507 -46.8507 -18.9437 -18.9437 -18.8936 -18.8936 -18.7729 -18.7729 -18.7353 -18.7353 -18.7096 -18.7096 -18.6954 -18.6954 -13.9092 -13.9092 -11.7822 -11.7822 -1.9495 -1.9495 -0.4974 -0.4974 -0.4656 -0.4656 0.0406 0.0406 3.2127 3.2127 3.2957 3.2957 7.5387 7.5387 9.8023 9.8023 10.1767 10.1767 12.1127 12.1127 k = 0.1349-0.1362-0.0000 ( 4095 PWs) bands (ev): -46.8611 -46.8611 -46.8507 -46.8507 -18.9439 -18.9439 -18.8926 -18.8926 -18.7729 -18.7729 -18.7343 -18.7343 -18.7096 -18.7096 -18.6945 -18.6945 -13.9157 -13.9157 -11.7848 -11.7848 -1.9613 -1.9613 -0.4700 -0.4700 -0.4460 -0.4460 0.0417 0.0417 3.2314 3.2314 3.3150 3.3150 7.4636 7.4636 9.8446 9.8446 10.1715 10.1715 12.0582 12.0582 k = 0.1270-0.1282-0.0000 ( 4099 PWs) bands (ev): -46.8612 -46.8612 -46.8506 -46.8506 -18.9441 -18.9441 -18.8916 -18.8916 -18.7730 -18.7730 -18.7333 -18.7333 -18.7096 -18.7096 -18.6937 -18.6937 -13.9220 -13.9220 -11.7874 -11.7874 -1.9726 -1.9726 -0.4433 -0.4433 -0.4270 -0.4270 0.0428 0.0428 3.2492 3.2492 3.3341 3.3341 7.3910 7.3910 9.8878 9.8878 10.1658 10.1658 12.0031 12.0031 k = 0.1190-0.1202-0.0000 ( 4105 PWs) bands (ev): -46.8614 -46.8614 -46.8506 -46.8506 -18.9443 -18.9443 -18.8907 -18.8907 -18.7731 -18.7731 -18.7323 -18.7323 -18.7097 -18.7097 -18.6928 -18.6928 -13.9280 -13.9280 -11.7898 -11.7898 -1.9833 -1.9833 -0.4180 -0.4180 -0.4081 -0.4081 0.0439 0.0439 3.2663 3.2663 3.3527 3.3527 7.3211 7.3211 9.9315 9.9315 10.1596 10.1596 11.9477 11.9477 k = 0.1111-0.1121-0.0000 ( 4105 PWs) bands (ev): -46.8615 -46.8615 -46.8505 -46.8505 -18.9444 -18.9444 -18.8898 -18.8898 -18.7732 -18.7732 -18.7313 -18.7313 -18.7098 -18.7098 -18.6919 -18.6919 -13.9338 -13.9338 -11.7922 -11.7922 -1.9935 -1.9935 -0.3964 -0.3964 -0.3873 -0.3873 0.0452 0.0452 3.2824 3.2824 3.3709 3.3709 7.2545 7.2545 9.9756 9.9756 10.1530 10.1530 11.8925 11.8925 k = 0.1032-0.1041 0.0000 ( 4109 PWs) bands (ev): -46.8617 -46.8617 -46.8505 -46.8505 -18.9445 -18.9445 -18.8890 -18.8890 -18.7732 -18.7732 -18.7303 -18.7303 -18.7101 -18.7101 -18.6911 -18.6911 -13.9392 -13.9392 -11.7945 -11.7945 -2.0031 -2.0031 -0.3793 -0.3793 -0.3639 -0.3639 0.0464 0.0464 3.2975 3.2975 3.3884 3.3884 7.1912 7.1912 10.0197 10.0197 10.1463 10.1463 11.8378 11.8378 k = 0.0952-0.0961 0.0000 ( 4103 PWs) bands (ev): -46.8618 -46.8618 -46.8505 -46.8505 -18.9446 -18.9446 -18.8881 -18.8881 -18.7733 -18.7733 -18.7293 -18.7293 -18.7103 -18.7103 -18.6902 -18.6902 -13.9444 -13.9444 -11.7966 -11.7966 -2.0121 -2.0121 -0.3642 -0.3642 -0.3405 -0.3405 0.0477 0.0477 3.3116 3.3116 3.4051 3.4051 7.1317 7.1317 10.0637 10.0637 10.1395 10.1395 11.7838 11.7838 k = 0.0873-0.0881 0.0000 ( 4105 PWs) bands (ev): -46.8619 -46.8619 -46.8504 -46.8504 -18.9448 -18.9448 -18.8874 -18.8874 -18.7734 -18.7734 -18.7284 -18.7284 -18.7106 -18.7106 -18.6894 -18.6894 -13.9492 -13.9492 -11.7987 -11.7987 -2.0205 -2.0205 -0.3505 -0.3505 -0.3181 -0.3181 0.0491 0.0491 3.3247 3.3247 3.4210 3.4210 7.0760 7.0760 10.1068 10.1068 10.1331 10.1331 11.7310 11.7310 k = 0.0794-0.0801-0.0000 ( 4103 PWs) bands (ev): -46.8620 -46.8620 -46.8504 -46.8504 -18.9449 -18.9449 -18.8867 -18.8867 -18.7734 -18.7734 -18.7274 -18.7274 -18.7109 -18.7109 -18.6887 -18.6887 -13.9537 -13.9537 -11.8006 -11.8006 -2.0282 -2.0282 -0.3380 -0.3380 -0.2970 -0.2970 0.0504 0.0504 3.3367 3.3367 3.4359 3.4359 7.0246 7.0246 10.1249 10.1249 10.1511 10.1511 11.6797 11.6797 k = 0.0714-0.0721-0.0000 ( 4105 PWs) bands (ev): -46.8621 -46.8621 -46.8504 -46.8504 -18.9450 -18.9450 -18.8860 -18.8860 -18.7735 -18.7735 -18.7265 -18.7265 -18.7113 -18.7113 -18.6880 -18.6880 -13.9578 -13.9578 -11.8023 -11.8023 -2.0352 -2.0352 -0.3267 -0.3267 -0.2773 -0.2773 0.0518 0.0518 3.3476 3.3476 3.4497 3.4497 6.9774 6.9774 10.1189 10.1189 10.1923 10.1923 11.6303 11.6303 k = 0.0635-0.0641-0.0000 ( 4107 PWs) bands (ev): -46.8621 -46.8621 -46.8503 -46.8503 -18.9451 -18.9451 -18.8854 -18.8854 -18.7736 -18.7736 -18.7256 -18.7256 -18.7117 -18.7117 -18.6873 -18.6873 -13.9615 -13.9615 -11.8039 -11.8039 -2.0416 -2.0416 -0.3166 -0.3166 -0.2593 -0.2593 0.0531 0.0531 3.3573 3.3573 3.4624 3.4624 6.9348 6.9348 10.1128 10.1128 10.2323 10.2323 11.5833 11.5833 k = 0.0556-0.0561-0.0000 ( 4109 PWs) bands (ev): -46.8622 -46.8622 -46.8503 -46.8503 -18.9452 -18.9452 -18.8849 -18.8849 -18.7736 -18.7736 -18.7248 -18.7248 -18.7121 -18.7121 -18.6867 -18.6867 -13.9648 -13.9648 -11.8053 -11.8053 -2.0472 -2.0472 -0.3077 -0.3077 -0.2429 -0.2429 0.0544 0.0544 3.3659 3.3659 3.4737 3.4737 6.8968 6.8968 10.1071 10.1071 10.2703 10.2703 11.5392 11.5392 k = 0.0476-0.0481 0.0000 ( 4111 PWs) bands (ev): -46.8623 -46.8623 -46.8503 -46.8503 -18.9452 -18.9452 -18.8844 -18.8844 -18.7737 -18.7737 -18.7240 -18.7240 -18.7126 -18.7126 -18.6862 -18.6862 -13.9677 -13.9677 -11.8066 -11.8066 -2.0521 -2.0521 -0.3000 -0.3000 -0.2285 -0.2285 0.0556 0.0556 3.3734 3.3734 3.4838 3.4838 6.8636 6.8636 10.1020 10.1020 10.3056 10.3056 11.4985 11.4985 k = 0.0397-0.0401-0.0000 ( 4117 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9453 -18.9453 -18.8841 -18.8841 -18.7737 -18.7737 -18.7233 -18.7233 -18.7131 -18.7131 -18.6858 -18.6858 -13.9701 -13.9701 -11.8077 -11.8077 -2.0563 -2.0563 -0.2935 -0.2935 -0.2161 -0.2161 0.0566 0.0566 3.3797 3.3797 3.4924 3.4924 6.8353 6.8353 10.0975 10.0975 10.3376 10.3376 11.4620 11.4620 k = 0.0317-0.0320-0.0000 ( 4121 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9454 -18.9454 -18.8837 -18.8837 -18.7738 -18.7738 -18.7226 -18.7226 -18.7135 -18.7135 -18.6854 -18.6854 -13.9722 -13.9722 -11.8086 -11.8086 -2.0597 -2.0597 -0.2882 -0.2882 -0.2058 -0.2058 0.0575 0.0575 3.3848 3.3848 3.4995 3.4995 6.8120 6.8120 10.0936 10.0936 10.3655 10.3655 11.4304 11.4304 k = 0.0238-0.0240 0.0000 ( 4123 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9454 -18.9454 -18.8835 -18.8835 -18.7738 -18.7738 -18.7220 -18.7220 -18.7139 -18.7139 -18.6851 -18.6851 -13.9738 -13.9738 -11.8093 -11.8093 -2.0624 -2.0624 -0.2841 -0.2841 -0.1977 -0.1977 0.0583 0.0583 3.3888 3.3888 3.5051 3.5051 6.7938 6.7938 10.0906 10.0906 10.3884 10.3884 11.4047 11.4047 k = 0.0159-0.0160 0.0000 ( 4125 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8833 -18.8833 -18.7738 -18.7738 -18.7215 -18.7215 -18.7143 -18.7143 -18.6849 -18.6849 -13.9749 -13.9749 -11.8098 -11.8098 -2.0643 -2.0643 -0.2811 -0.2811 -0.1919 -0.1919 0.0588 0.0588 3.3917 3.3917 3.5092 3.5092 6.7808 6.7808 10.0884 10.0884 10.4055 10.4055 11.3855 11.3855 k = 0.0079-0.0080 0.0000 ( 4123 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8832 -18.8832 -18.7739 -18.7739 -18.7212 -18.7212 -18.7145 -18.7145 -18.6847 -18.6847 -13.9756 -13.9756 -11.8101 -11.8101 -2.0655 -2.0655 -0.2794 -0.2794 -0.1884 -0.1884 0.0592 0.0592 3.3934 3.3934 3.5116 3.5116 6.7730 6.7730 10.0871 10.0871 10.4161 10.4161 11.3737 11.3737 k = 0.0000 0.0000 0.0000 ( 4123 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8831 -18.8831 -18.7739 -18.7739 -18.7211 -18.7211 -18.7146 -18.7146 -18.6847 -18.6847 -13.9758 -13.9758 -11.8102 -11.8102 -2.0659 -2.0659 -0.2788 -0.2788 -0.1872 -0.1872 0.0593 0.0593 3.3939 3.3939 3.5124 3.5124 6.7704 6.7704 10.0866 10.0866 10.4197 10.4197 11.3697 11.3697 k = 0.0000 0.0000 0.0000 ( 4123 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8831 -18.8831 -18.7739 -18.7739 -18.7211 -18.7211 -18.7146 -18.7146 -18.6847 -18.6847 -13.9758 -13.9758 -11.8102 -11.8102 -2.0659 -2.0659 -0.2788 -0.2788 -0.1872 -0.1872 0.0593 0.0593 3.3939 3.3939 3.5124 3.5124 6.7704 6.7704 10.0866 10.0866 10.4197 10.4197 11.3697 11.3697 k = 0.0109-0.0001-0.0028 ( 4123 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8832 -18.8832 -18.7739 -18.7739 -18.7212 -18.7212 -18.7145 -18.7145 -18.6847 -18.6847 -13.9756 -13.9756 -11.8101 -11.8101 -2.0653 -2.0653 -0.2795 -0.2795 -0.1881 -0.1881 0.0588 0.0588 3.3934 3.3934 3.5118 3.5118 6.7728 6.7728 10.0867 10.0867 10.4182 10.4182 11.3726 11.3726 k = 0.0217-0.0002-0.0056 ( 4118 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9454 -18.9454 -18.8833 -18.8833 -18.7738 -18.7738 -18.7214 -18.7214 -18.7143 -18.7143 -18.6848 -18.6848 -13.9749 -13.9749 -11.8099 -11.8099 -2.0636 -2.0636 -0.2816 -0.2816 -0.1908 -0.1908 0.0574 0.0574 3.3917 3.3917 3.5099 3.5099 6.7803 6.7803 10.0868 10.0868 10.4138 10.4138 11.3813 11.3813 k = 0.0326-0.0003-0.0084 ( 4114 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9454 -18.9454 -18.8834 -18.8834 -18.7738 -18.7738 -18.7218 -18.7218 -18.7141 -18.7141 -18.6850 -18.6850 -13.9738 -13.9738 -11.8095 -11.8095 -2.0608 -2.0608 -0.2855 -0.2855 -0.1950 -0.1950 0.0552 0.0552 3.3886 3.3886 3.5069 3.5069 6.7926 6.7926 10.0870 10.0870 10.4066 10.4066 11.3957 11.3957 k = 0.0435-0.0004-0.0112 ( 4116 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9453 -18.9453 -18.8837 -18.8837 -18.7737 -18.7737 -18.7223 -18.7223 -18.7139 -18.7139 -18.6852 -18.6852 -13.9723 -13.9723 -11.8090 -11.8090 -2.0569 -2.0569 -0.2917 -0.2917 -0.2001 -0.2001 0.0522 0.0522 3.3838 3.3838 3.5032 3.5032 6.8099 6.8099 10.0871 10.0871 10.3969 10.3969 11.4155 11.4155 k = 0.0543-0.0005-0.0140 ( 4122 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9453 -18.9453 -18.8841 -18.8841 -18.7737 -18.7737 -18.7229 -18.7229 -18.7136 -18.7136 -18.6856 -18.6856 -13.9703 -13.9703 -11.8083 -11.8083 -2.0520 -2.0520 -0.3007 -0.3007 -0.2056 -0.2056 0.0486 0.0486 3.3770 3.3770 3.4991 3.4991 6.8320 6.8320 10.0870 10.0870 10.3849 10.3849 11.4404 11.4404 k = 0.0652-0.0006-0.0168 ( 4119 PWs) bands (ev): -46.8623 -46.8623 -46.8503 -46.8503 -18.9452 -18.9452 -18.8844 -18.8844 -18.7736 -18.7736 -18.7236 -18.7236 -18.7133 -18.7133 -18.6859 -18.6859 -13.9679 -13.9679 -11.8075 -11.8075 -2.0459 -2.0459 -0.3133 -0.3133 -0.2108 -0.2108 0.0444 0.0444 3.3677 3.3677 3.4951 3.4951 6.8590 6.8590 10.0864 10.0864 10.3710 10.3710 11.4702 11.4702 k = 0.0761-0.0007-0.0196 ( 4118 PWs) bands (ev): -46.8622 -46.8622 -46.8503 -46.8503 -18.9451 -18.9451 -18.8849 -18.8849 -18.7735 -18.7735 -18.7243 -18.7243 -18.7130 -18.7130 -18.6864 -18.6864 -13.9651 -13.9651 -11.8066 -11.8066 -2.0388 -2.0388 -0.3297 -0.3297 -0.2153 -0.2153 0.0398 0.0398 3.3555 3.3555 3.4917 3.4917 6.8907 6.8907 10.0851 10.0851 10.3557 10.3557 11.5044 11.5044 k = 0.0870-0.0008-0.0224 ( 4117 PWs) bands (ev): -46.8622 -46.8622 -46.8504 -46.8504 -18.9450 -18.9450 -18.8854 -18.8854 -18.7734 -18.7734 -18.7250 -18.7250 -18.7128 -18.7128 -18.6869 -18.6869 -13.9619 -13.9619 -11.8055 -11.8055 -2.0306 -2.0306 -0.3501 -0.3501 -0.2187 -0.2187 0.0349 0.0349 3.3402 3.3402 3.4891 3.4891 6.9271 6.9271 10.0828 10.0828 10.3394 10.3394 11.5427 11.5427 k = 0.0978-0.0009-0.0252 ( 4117 PWs) bands (ev): -46.8621 -46.8621 -46.8504 -46.8504 -18.9448 -18.9448 -18.8860 -18.8860 -18.7733 -18.7733 -18.7258 -18.7258 -18.7125 -18.7125 -18.6874 -18.6874 -13.9583 -13.9583 -11.8043 -11.8043 -2.0214 -2.0214 -0.3743 -0.3743 -0.2212 -0.2212 0.0297 0.0297 3.3217 3.3217 3.4875 3.4875 6.9681 6.9681 10.0790 10.0790 10.3228 10.3228 11.5847 11.5847 k = 0.1087-0.0010-0.0280 ( 4116 PWs) bands (ev): -46.8620 -46.8620 -46.8504 -46.8504 -18.9447 -18.9447 -18.8867 -18.8867 -18.7732 -18.7732 -18.7267 -18.7267 -18.7123 -18.7123 -18.6880 -18.6880 -13.9543 -13.9543 -11.8030 -11.8030 -2.0112 -2.0112 -0.4021 -0.4021 -0.2229 -0.2229 0.0243 0.0243 3.3001 3.3001 3.4869 3.4869 7.0136 7.0136 10.0731 10.0731 10.3064 10.3064 11.6300 11.6300 k = 0.1196-0.0011-0.0308 ( 4120 PWs) bands (ev): -46.8619 -46.8619 -46.8505 -46.8505 -18.9446 -18.9446 -18.8875 -18.8875 -18.7731 -18.7731 -18.7275 -18.7275 -18.7122 -18.7122 -18.6886 -18.6886 -13.9500 -13.9500 -11.8016 -11.8016 -2.0001 -2.0001 -0.4329 -0.4329 -0.2241 -0.2241 0.0188 0.0188 3.2755 3.2755 3.4872 3.4872 7.0634 7.0634 10.0648 10.0648 10.2909 10.2909 11.6781 11.6781 k = 0.1304-0.0012-0.0336 ( 4118 PWs) bands (ev): -46.8618 -46.8618 -46.8505 -46.8505 -18.9444 -18.9444 -18.8883 -18.8883 -18.7730 -18.7730 -18.7284 -18.7284 -18.7121 -18.7121 -18.6892 -18.6892 -13.9453 -13.9453 -11.8000 -11.8000 -1.9881 -1.9881 -0.4664 -0.4664 -0.2247 -0.2247 0.0132 0.0132 3.2482 3.2482 3.4883 3.4883 7.1174 7.1174 10.0534 10.0534 10.2770 10.2770 11.7286 11.7286 k = 0.1413-0.0013-0.0364 ( 4115 PWs) bands (ev): -46.8617 -46.8617 -46.8506 -46.8506 -18.9442 -18.9442 -18.8891 -18.8891 -18.7729 -18.7729 -18.7293 -18.7293 -18.7120 -18.7120 -18.6898 -18.6898 -13.9403 -13.9403 -11.7984 -11.7984 -1.9752 -1.9752 -0.5023 -0.5023 -0.2251 -0.2251 0.0076 0.0076 3.2185 3.2185 3.4901 3.4901 7.1754 7.1754 10.0385 10.0385 10.2650 10.2650 11.7811 11.7811 k = 0.1522-0.0014-0.0392 ( 4115 PWs) bands (ev): -46.8615 -46.8615 -46.8506 -46.8506 -18.9441 -18.9441 -18.8900 -18.8900 -18.7727 -18.7727 -18.7302 -18.7302 -18.7120 -18.7120 -18.6905 -18.6905 -13.9351 -13.9351 -11.7966 -11.7966 -1.9614 -1.9614 -0.5402 -0.5402 -0.2252 -0.2252 0.0018 0.0018 3.1865 3.1865 3.4925 3.4925 7.2373 7.2373 10.0202 10.0202 10.2552 10.2552 11.8352 11.8352 k = 0.1630-0.0015-0.0420 ( 4112 PWs) bands (ev): -46.8614 -46.8614 -46.8507 -46.8507 -18.9439 -18.9439 -18.8910 -18.8910 -18.7726 -18.7726 -18.7311 -18.7311 -18.7120 -18.7120 -18.6911 -18.6911 -13.9295 -13.9295 -11.7948 -11.7948 -1.9469 -1.9469 -0.5798 -0.5798 -0.2252 -0.2252 -0.0040 -0.0040 3.1526 3.1526 3.4955 3.4955 7.3029 7.3029 9.9985 9.9985 10.2476 10.2476 11.8902 11.8902 k = 0.1739-0.0016-0.0448 ( 4109 PWs) bands (ev): -46.8612 -46.8612 -46.8507 -46.8507 -18.9437 -18.9437 -18.8920 -18.8920 -18.7725 -18.7725 -18.7320 -18.7320 -18.7120 -18.7120 -18.6918 -18.6918 -13.9238 -13.9238 -11.7929 -11.7929 -1.9316 -1.9316 -0.6207 -0.6207 -0.2251 -0.2251 -0.0099 -0.0099 3.1169 3.1169 3.4988 3.4988 7.3720 7.3720 9.9738 9.9738 10.2419 10.2419 11.9459 11.9459 k = 0.1848-0.0017-0.0476 ( 4109 PWs) bands (ev): -46.8611 -46.8611 -46.8508 -46.8508 -18.9435 -18.9435 -18.8931 -18.8931 -18.7723 -18.7723 -18.7330 -18.7330 -18.7121 -18.7121 -18.6924 -18.6924 -13.9178 -13.9178 -11.7909 -11.7909 -1.9157 -1.9157 -0.6626 -0.6626 -0.2251 -0.2251 -0.0158 -0.0158 3.0798 3.0798 3.5024 3.5024 7.4444 7.4444 9.9464 9.9464 10.2378 10.2378 12.0017 12.0017 k = 0.1957-0.0018-0.0503 ( 4104 PWs) bands (ev): -46.8609 -46.8609 -46.8508 -46.8508 -18.9433 -18.9433 -18.8941 -18.8941 -18.7722 -18.7722 -18.7339 -18.7339 -18.7122 -18.7122 -18.6931 -18.6931 -13.9116 -13.9116 -11.7889 -11.7889 -1.8991 -1.8991 -0.7053 -0.7053 -0.2251 -0.2251 -0.0216 -0.0216 3.0414 3.0414 3.5064 3.5064 7.5199 7.5199 9.9170 9.9170 10.2349 10.2349 12.0571 12.0571 k = 0.2065-0.0019-0.0531 ( 4105 PWs) bands (ev): -46.8608 -46.8608 -46.8509 -46.8509 -18.9431 -18.9431 -18.8953 -18.8953 -18.7721 -18.7721 -18.7349 -18.7349 -18.7123 -18.7123 -18.6937 -18.6937 -13.9053 -13.9053 -11.7868 -11.7868 -1.8821 -1.8821 -0.7484 -0.7484 -0.2252 -0.2252 -0.0275 -0.0275 3.0021 3.0021 3.5106 3.5106 7.5982 7.5982 9.8860 9.8860 10.2330 10.2330 12.1117 12.1117 k = 0.2174-0.0020-0.0559 ( 4105 PWs) bands (ev): -46.8606 -46.8606 -46.8510 -46.8510 -18.9429 -18.9429 -18.8965 -18.8965 -18.7719 -18.7719 -18.7358 -18.7358 -18.7125 -18.7125 -18.6943 -18.6943 -13.8988 -13.8988 -11.7847 -11.7847 -1.8645 -1.8645 -0.7918 -0.7918 -0.2255 -0.2255 -0.0333 -0.0333 2.9620 2.9620 3.5150 3.5150 7.6792 7.6792 9.8538 9.8538 10.2316 10.2316 12.1651 12.1651 k = 0.2283-0.0021-0.0587 ( 4106 PWs) bands (ev): -46.8604 -46.8604 -46.8511 -46.8511 -18.9427 -18.9427 -18.8977 -18.8977 -18.7718 -18.7718 -18.7368 -18.7368 -18.7127 -18.7127 -18.6949 -18.6949 -13.8922 -13.8922 -11.7826 -11.7826 -1.8467 -1.8467 -0.8350 -0.8350 -0.2261 -0.2261 -0.0389 -0.0389 2.9213 2.9213 3.5196 3.5196 7.7627 7.7627 9.8207 9.8207 10.2307 10.2307 12.2167 12.2167 k = 0.2391-0.0022-0.0615 ( 4105 PWs) bands (ev): -46.8603 -46.8603 -46.8511 -46.8511 -18.9425 -18.9425 -18.8990 -18.8990 -18.7717 -18.7717 -18.7378 -18.7378 -18.7128 -18.7128 -18.6955 -18.6955 -13.8856 -13.8856 -11.7804 -11.7804 -1.8285 -1.8285 -0.8780 -0.8780 -0.2269 -0.2269 -0.0445 -0.0445 2.8803 2.8803 3.5243 3.5243 7.8485 7.8485 9.7871 9.7871 10.2301 10.2301 12.2663 12.2663 k = 0.2500-0.0023-0.0643 ( 4102 PWs) bands (ev): -46.8601 -46.8601 -46.8512 -46.8512 -18.9423 -18.9423 -18.9003 -18.9003 -18.7715 -18.7715 -18.7388 -18.7388 -18.7130 -18.7130 -18.6961 -18.6961 -13.8789 -13.8789 -11.7783 -11.7783 -1.8102 -1.8102 -0.9203 -0.9203 -0.2280 -0.2280 -0.0498 -0.0498 2.8393 2.8393 3.5291 3.5291 7.9363 7.9363 9.7533 9.7533 10.2296 10.2296 12.3135 12.3135 k = 0.2609-0.0024-0.0671 ( 4101 PWs) bands (ev): -46.8599 -46.8599 -46.8513 -46.8513 -18.9421 -18.9421 -18.9015 -18.9015 -18.7714 -18.7714 -18.7397 -18.7397 -18.7132 -18.7132 -18.6966 -18.6966 -13.8722 -13.8722 -11.7761 -11.7761 -1.7918 -1.7918 -0.9618 -0.9618 -0.2295 -0.2295 -0.0549 -0.0549 2.7983 2.7983 3.5340 3.5340 8.0258 8.0258 9.7196 9.7196 10.2292 10.2292 12.3578 12.3578 k = 0.2717-0.0025-0.0699 ( 4101 PWs) bands (ev): -46.8597 -46.8597 -46.8514 -46.8514 -18.9418 -18.9418 -18.9029 -18.9029 -18.7712 -18.7712 -18.7407 -18.7407 -18.7133 -18.7133 -18.6972 -18.6972 -13.8655 -13.8655 -11.7739 -11.7739 -1.7735 -1.7735 -1.0023 -1.0023 -0.2315 -0.2315 -0.0597 -0.0597 2.7576 2.7576 3.5389 3.5389 8.1170 8.1170 9.6862 9.6862 10.2288 10.2288 12.3989 12.3989 k = 0.2826-0.0026-0.0727 ( 4101 PWs) bands (ev): -46.8595 -46.8595 -46.8515 -46.8515 -18.9416 -18.9416 -18.9042 -18.9042 -18.7711 -18.7711 -18.7418 -18.7418 -18.7134 -18.7134 -18.6977 -18.6977 -13.8589 -13.8589 -11.7718 -11.7718 -1.7555 -1.7555 -1.0415 -1.0415 -0.2339 -0.2339 -0.0642 -0.0642 2.7175 2.7175 3.5438 3.5438 8.2094 8.2094 9.6535 9.6535 10.2284 10.2284 12.4360 12.4360 k = 0.2935-0.0027-0.0755 ( 4100 PWs) bands (ev): -46.8593 -46.8593 -46.8516 -46.8516 -18.9414 -18.9414 -18.9055 -18.9055 -18.7710 -18.7710 -18.7427 -18.7427 -18.7135 -18.7135 -18.6983 -18.6983 -13.8523 -13.8523 -11.7697 -11.7697 -1.7379 -1.7379 -1.0791 -1.0791 -0.2368 -0.2368 -0.0684 -0.0684 2.6781 2.6781 3.5486 3.5486 8.3029 8.3029 9.6217 9.6217 10.2279 10.2279 12.4631 12.4631 k = 0.3043-0.0028-0.0783 ( 4101 PWs) bands (ev): -46.8591 -46.8591 -46.8517 -46.8517 -18.9412 -18.9412 -18.9068 -18.9068 -18.7708 -18.7708 -18.7438 -18.7438 -18.7135 -18.7135 -18.6988 -18.6988 -13.8459 -13.8459 -11.7676 -11.7676 -1.7208 -1.7208 -1.1149 -1.1149 -0.2401 -0.2401 -0.0721 -0.0721 2.6395 2.6395 3.5535 3.5535 8.3970 8.3970 9.5913 9.5913 10.2273 10.2273 12.4234 12.4234 k = 0.3152-0.0029-0.0811 ( 4105 PWs) bands (ev): -46.8589 -46.8589 -46.8519 -46.8519 -18.9410 -18.9410 -18.9082 -18.9082 -18.7707 -18.7707 -18.7448 -18.7448 -18.7136 -18.7136 -18.6993 -18.6993 -13.8396 -13.8396 -11.7656 -11.7656 -1.7046 -1.7046 -1.1487 -1.1487 -0.2440 -0.2440 -0.0755 -0.0755 2.6020 2.6020 3.5582 3.5582 8.4914 8.4914 9.5625 9.5625 10.2267 10.2267 12.3460 12.3460 k = 0.3261-0.0030-0.0839 ( 4103 PWs) bands (ev): -46.8587 -46.8587 -46.8520 -46.8520 -18.9408 -18.9408 -18.9095 -18.9095 -18.7705 -18.7705 -18.7458 -18.7458 -18.7135 -18.7135 -18.6998 -18.6998 -13.8335 -13.8335 -11.7637 -11.7637 -1.6895 -1.6895 -1.1801 -1.1801 -0.2483 -0.2483 -0.0784 -0.0784 2.5657 2.5657 3.5628 3.5628 8.5856 8.5856 9.5360 9.5360 10.2259 10.2259 12.2639 12.2639 k = 0.3370-0.0031-0.0867 ( 4105 PWs) bands (ev): -46.8585 -46.8585 -46.8521 -46.8521 -18.9406 -18.9406 -18.9108 -18.9108 -18.7703 -18.7703 -18.7468 -18.7468 -18.7135 -18.7135 -18.7003 -18.7003 -13.8276 -13.8276 -11.7618 -11.7618 -1.6757 -1.6757 -1.2089 -1.2089 -0.2530 -0.2530 -0.0810 -0.0810 2.5308 2.5308 3.5673 3.5673 8.6788 8.6788 9.5124 9.5124 10.2251 10.2251 12.1792 12.1792 k = 0.3478-0.0032-0.0895 ( 4106 PWs) bands (ev): -46.8583 -46.8583 -46.8522 -46.8522 -18.9403 -18.9403 -18.9120 -18.9120 -18.7701 -18.7701 -18.7477 -18.7477 -18.7134 -18.7134 -18.7009 -18.7009 -13.8219 -13.8219 -11.7600 -11.7600 -1.6635 -1.6635 -1.2347 -1.2347 -0.2581 -0.2581 -0.0831 -0.0831 2.4974 2.4974 3.5717 3.5717 8.7699 8.7699 9.4926 9.4926 10.2242 10.2242 12.0925 12.0925 k = 0.3587-0.0033-0.0923 ( 4109 PWs) bands (ev): -46.8581 -46.8581 -46.8523 -46.8523 -18.9401 -18.9401 -18.9133 -18.9133 -18.7699 -18.7699 -18.7487 -18.7487 -18.7132 -18.7132 -18.7014 -18.7014 -13.8165 -13.8165 -11.7583 -11.7583 -1.6532 -1.6532 -1.2574 -1.2574 -0.2634 -0.2634 -0.0849 -0.0849 2.4656 2.4656 3.5758 3.5758 8.8575 8.8575 9.4783 9.4783 10.2232 10.2232 12.0039 12.0039 k = 0.3696-0.0034-0.0951 ( 4109 PWs) bands (ev): -46.8579 -46.8579 -46.8525 -46.8525 -18.9399 -18.9399 -18.9145 -18.9145 -18.7697 -18.7697 -18.7497 -18.7497 -18.7130 -18.7130 -18.7019 -18.7019 -13.8113 -13.8113 -11.7567 -11.7567 -1.6450 -1.6450 -1.2767 -1.2767 -0.2690 -0.2690 -0.0864 -0.0864 2.4357 2.4357 3.5798 3.5798 8.9391 8.9391 9.4716 9.4716 10.2222 10.2222 11.9139 11.9139 k = 0.3804-0.0035-0.0979 ( 4108 PWs) bands (ev): -46.8577 -46.8577 -46.8526 -46.8526 -18.9396 -18.9396 -18.9156 -18.9156 -18.7694 -18.7694 -18.7506 -18.7506 -18.7128 -18.7128 -18.7024 -18.7024 -13.8065 -13.8065 -11.7551 -11.7551 -1.6392 -1.6392 -1.2925 -1.2925 -0.2746 -0.2746 -0.0876 -0.0876 2.4077 2.4077 3.5835 3.5835 9.0111 9.0111 9.4759 9.4759 10.2212 10.2212 11.8227 11.8227 k = 0.3913-0.0036-0.1007 ( 4108 PWs) bands (ev): -46.8575 -46.8575 -46.8527 -46.8527 -18.9394 -18.9394 -18.9167 -18.9167 -18.7692 -18.7692 -18.7515 -18.7515 -18.7125 -18.7125 -18.7029 -18.7029 -13.8020 -13.8020 -11.7537 -11.7537 -1.6357 -1.6357 -1.3048 -1.3048 -0.2803 -0.2803 -0.0885 -0.0885 2.3817 2.3817 3.5870 3.5870 9.0693 9.0693 9.4951 9.4951 10.2202 10.2202 11.7309 11.7309 k = 0.4022-0.0037-0.1035 ( 4109 PWs) bands (ev): -46.8573 -46.8573 -46.8529 -46.8529 -18.9391 -18.9391 -18.9178 -18.9178 -18.7689 -18.7689 -18.7523 -18.7523 -18.7122 -18.7122 -18.7034 -18.7034 -13.7979 -13.7979 -11.7524 -11.7524 -1.6344 -1.6344 -1.3137 -1.3137 -0.2858 -0.2858 -0.0892 -0.0892 2.3579 2.3579 3.5902 3.5902 9.1106 9.1106 9.5322 9.5322 10.2192 10.2192 11.6389 11.6389 k = 0.4130-0.0038-0.1063 ( 4101 PWs) bands (ev): -46.8571 -46.8571 -46.8530 -46.8530 -18.9388 -18.9388 -18.9187 -18.9187 -18.7686 -18.7686 -18.7531 -18.7531 -18.7119 -18.7119 -18.7039 -18.7039 -13.7941 -13.7941 -11.7513 -11.7513 -1.6350 -1.6350 -1.3197 -1.3197 -0.2911 -0.2911 -0.0898 -0.0898 2.3363 2.3363 3.5932 3.5932 9.1354 9.1354 9.5860 9.5860 10.2182 10.2182 11.5475 11.5475 k = 0.4239-0.0039-0.1091 ( 4101 PWs) bands (ev): -46.8569 -46.8569 -46.8531 -46.8531 -18.9386 -18.9386 -18.9196 -18.9196 -18.7683 -18.7683 -18.7539 -18.7539 -18.7115 -18.7115 -18.7045 -18.7045 -13.7907 -13.7907 -11.7502 -11.7502 -1.6370 -1.6370 -1.3232 -1.3232 -0.2961 -0.2961 -0.0902 -0.0902 2.3171 2.3171 3.5958 3.5958 9.1478 9.1478 9.6517 9.6517 10.2172 10.2172 11.4576 11.4576 k = 0.4348-0.0040-0.1119 ( 4100 PWs) bands (ev): -46.8568 -46.8568 -46.8532 -46.8532 -18.9383 -18.9383 -18.9204 -18.9204 -18.7680 -18.7680 -18.7546 -18.7546 -18.7111 -18.7111 -18.7050 -18.7050 -13.7878 -13.7878 -11.7493 -11.7493 -1.6401 -1.6401 -1.3248 -1.3248 -0.3007 -0.3007 -0.0905 -0.0905 2.3002 2.3002 3.5981 3.5981 9.1524 9.1524 9.7238 9.7238 10.2162 10.2162 11.3705 11.3705 k = 0.4457-0.0041-0.1147 ( 4098 PWs) bands (ev): -46.8566 -46.8566 -46.8533 -46.8533 -18.9381 -18.9381 -18.9211 -18.9211 -18.7677 -18.7677 -18.7552 -18.7552 -18.7106 -18.7106 -18.7055 -18.7055 -13.7853 -13.7853 -11.7485 -11.7485 -1.6435 -1.6435 -1.3251 -1.3251 -0.3048 -0.3048 -0.0907 -0.0907 2.2859 2.2859 3.6001 3.6001 9.1527 9.1527 9.7971 9.7971 10.2153 10.2153 11.2878 11.2878 k = 0.4565-0.0042-0.1175 ( 4097 PWs) bands (ev): -46.8565 -46.8565 -46.8534 -46.8534 -18.9379 -18.9379 -18.9218 -18.9218 -18.7675 -18.7675 -18.7558 -18.7558 -18.7102 -18.7102 -18.7061 -18.7061 -13.7832 -13.7832 -11.7478 -11.7478 -1.6470 -1.6470 -1.3246 -1.3246 -0.3082 -0.3082 -0.0908 -0.0908 2.2740 2.2740 3.6017 3.6017 9.1511 9.1511 9.8674 9.8674 10.2144 10.2144 11.2117 11.2117 k = 0.4674-0.0043-0.1203 ( 4100 PWs) bands (ev): -46.8564 -46.8564 -46.8535 -46.8535 -18.9377 -18.9377 -18.9223 -18.9223 -18.7673 -18.7673 -18.7562 -18.7562 -18.7097 -18.7097 -18.7066 -18.7066 -13.7816 -13.7816 -11.7473 -11.7473 -1.6501 -1.6501 -1.3238 -1.3238 -0.3110 -0.3110 -0.0909 -0.0909 2.2648 2.2648 3.6030 3.6030 9.1487 9.1487 9.9302 9.9302 10.2134 10.2134 11.1455 11.1455 k = 0.4783-0.0044-0.1231 ( 4099 PWs) bands (ev): -46.8563 -46.8563 -46.8536 -46.8536 -18.9376 -18.9376 -18.9226 -18.9226 -18.7671 -18.7671 -18.7565 -18.7565 -18.7092 -18.7092 -18.7071 -18.7071 -13.7804 -13.7804 -11.7470 -11.7470 -1.6525 -1.6525 -1.3229 -1.3229 -0.3130 -0.3130 -0.0909 -0.0909 2.2581 2.2581 3.6039 3.6039 9.1466 9.1466 9.9808 9.9808 10.2125 10.2125 11.0931 11.0931 k = 0.4891-0.0045-0.1259 ( 4097 PWs) bands (ev): -46.8563 -46.8563 -46.8536 -46.8536 -18.9375 -18.9375 -18.9228 -18.9228 -18.7670 -18.7670 -18.7568 -18.7568 -18.7088 -18.7088 -18.7076 -18.7076 -13.7797 -13.7797 -11.7468 -11.7468 -1.6541 -1.6541 -1.3224 -1.3224 -0.3142 -0.3142 -0.0910 -0.0910 2.2541 2.2541 3.6044 3.6044 9.1451 9.1451 10.0141 10.0141 10.2118 10.2118 11.0590 11.0590 k = 0.5000-0.0046-0.1287 ( 4098 PWs) bands (ev): -46.8562 -46.8562 -46.8537 -46.8537 -18.9375 -18.9375 -18.9229 -18.9229 -18.7670 -18.7670 -18.7568 -18.7568 -18.7085 -18.7085 -18.7079 -18.7079 -13.7795 -13.7795 -11.7467 -11.7467 -1.6546 -1.6546 -1.3221 -1.3221 -0.3147 -0.3147 -0.0910 -0.0910 2.2528 2.2528 3.6046 3.6046 9.1446 9.1446 10.0258 10.0258 10.2115 10.2115 11.0472 11.0472 k = 0.5000-0.0046 0.2130 ( 4090 PWs) bands (ev): -46.8557 -46.8557 -46.8542 -46.8542 -18.9359 -18.9359 -18.9307 -18.9307 -18.7656 -18.7656 -18.7588 -18.7588 -18.7069 -18.7069 -18.7042 -18.7042 -13.7733 -13.7733 -11.7450 -11.7450 -1.6854 -1.6854 -1.5334 -1.5334 -0.2170 -0.2170 -0.0457 -0.0457 2.6345 2.6345 3.5908 3.5908 8.3915 8.3915 10.0575 10.0575 10.2262 10.2262 11.2649 11.2649 k = 0.4898-0.0045 0.2087 ( 4091 PWs) bands (ev): -46.8557 -46.8557 -46.8542 -46.8542 -18.9360 -18.9360 -18.9306 -18.9306 -18.7656 -18.7656 -18.7588 -18.7588 -18.7069 -18.7069 -18.7042 -18.7042 -13.7735 -13.7735 -11.7450 -11.7450 -1.6863 -1.6863 -1.5319 -1.5319 -0.2169 -0.2169 -0.0456 -0.0456 2.6351 2.6351 3.5906 3.5906 8.3925 8.3925 10.0466 10.0466 10.2305 10.2305 11.2703 11.2703 k = 0.4796-0.0044 0.2043 ( 4090 PWs) bands (ev): -46.8558 -46.8558 -46.8541 -46.8541 -18.9362 -18.9362 -18.9303 -18.9303 -18.7657 -18.7657 -18.7586 -18.7586 -18.7071 -18.7071 -18.7040 -18.7040 -13.7742 -13.7742 -11.7453 -11.7453 -1.6886 -1.6886 -1.5275 -1.5275 -0.2165 -0.2165 -0.0453 -0.0453 2.6368 2.6368 3.5901 3.5901 8.3955 8.3955 10.0170 10.0170 10.2406 10.2406 11.2859 11.2859 k = 0.4694-0.0043 0.2000 ( 4090 PWs) bands (ev): -46.8559 -46.8559 -46.8540 -46.8540 -18.9365 -18.9365 -18.9297 -18.9297 -18.7658 -18.7658 -18.7583 -18.7583 -18.7074 -18.7074 -18.7037 -18.7037 -13.7752 -13.7752 -11.7456 -11.7456 -1.6924 -1.6924 -1.5203 -1.5203 -0.2160 -0.2160 -0.0448 -0.0448 2.6397 2.6397 3.5893 3.5893 8.4003 8.4003 9.9743 9.9743 10.2523 10.2523 11.3106 11.3106 k = 0.4592-0.0042 0.1956 ( 4094 PWs) bands (ev): -46.8560 -46.8560 -46.8539 -46.8539 -18.9368 -18.9368 -18.9291 -18.9291 -18.7660 -18.7660 -18.7580 -18.7580 -18.7077 -18.7077 -18.7033 -18.7033 -13.7767 -13.7767 -11.7461 -11.7461 -1.6973 -1.6973 -1.5105 -1.5105 -0.2152 -0.2152 -0.0441 -0.0441 2.6437 2.6437 3.5882 3.5882 8.4069 8.4069 9.9224 9.9224 10.2630 10.2630 11.3426 11.3426 k = 0.4490-0.0042 0.1913 ( 4095 PWs) bands (ev): -46.8562 -46.8562 -46.8538 -46.8538 -18.9372 -18.9372 -18.9283 -18.9283 -18.7662 -18.7662 -18.7576 -18.7576 -18.7081 -18.7081 -18.7030 -18.7030 -13.7786 -13.7786 -11.7467 -11.7467 -1.7032 -1.7032 -1.4984 -1.4984 -0.2143 -0.2143 -0.0432 -0.0432 2.6489 2.6489 3.5868 3.5868 8.4150 8.4150 9.8641 9.8641 10.2720 10.2720 11.3799 11.3799 k = 0.4388-0.0041 0.1869 ( 4092 PWs) bands (ev): -46.8563 -46.8563 -46.8536 -46.8536 -18.9375 -18.9375 -18.9273 -18.9273 -18.7664 -18.7664 -18.7571 -18.7571 -18.7084 -18.7084 -18.7025 -18.7025 -13.7808 -13.7808 -11.7474 -11.7474 -1.7098 -1.7098 -1.4841 -1.4841 -0.2132 -0.2132 -0.0421 -0.0421 2.6553 2.6553 3.5851 3.5851 8.4243 8.4243 9.8013 9.8013 10.2792 10.2792 11.4204 11.4204 k = 0.4286-0.0040 0.1826 ( 4094 PWs) bands (ev): -46.8565 -46.8565 -46.8535 -46.8535 -18.9379 -18.9379 -18.9264 -18.9264 -18.7667 -18.7667 -18.7565 -18.7565 -18.7088 -18.7088 -18.7021 -18.7021 -13.7835 -13.7835 -11.7483 -11.7483 -1.7171 -1.7171 -1.4679 -1.4679 -0.2120 -0.2120 -0.0407 -0.0407 2.6629 2.6629 3.5831 3.5831 8.4346 8.4346 9.7355 9.7355 10.2848 10.2848 11.4623 11.4623 k = 0.4184-0.0039 0.1782 ( 4095 PWs) bands (ev): -46.8567 -46.8567 -46.8534 -46.8534 -18.9382 -18.9382 -18.9254 -18.9254 -18.7669 -18.7669 -18.7559 -18.7559 -18.7091 -18.7091 -18.7017 -18.7017 -13.7865 -13.7865 -11.7493 -11.7493 -1.7250 -1.7250 -1.4497 -1.4497 -0.2108 -0.2108 -0.0392 -0.0392 2.6717 2.6717 3.5809 3.5809 8.4452 8.4452 9.6683 9.6683 10.2890 10.2890 11.5038 11.5038 k = 0.4082-0.0038 0.1739 ( 4091 PWs) bands (ev): -46.8569 -46.8569 -46.8532 -46.8532 -18.9385 -18.9385 -18.9243 -18.9243 -18.7671 -18.7671 -18.7552 -18.7552 -18.7094 -18.7094 -18.7013 -18.7013 -13.7899 -13.7899 -11.7504 -11.7504 -1.7333 -1.7333 -1.4296 -1.4296 -0.2095 -0.2095 -0.0374 -0.0374 2.6818 2.6818 3.5783 3.5783 8.4556 8.4556 9.6011 9.6011 10.2921 10.2921 11.5433 11.5433 k = 0.3980-0.0037 0.1695 ( 4092 PWs) bands (ev): -46.8571 -46.8571 -46.8531 -46.8531 -18.9388 -18.9388 -18.9231 -18.9231 -18.7674 -18.7674 -18.7546 -18.7546 -18.7097 -18.7097 -18.7009 -18.7009 -13.7936 -13.7936 -11.7517 -11.7517 -1.7420 -1.7420 -1.4079 -1.4079 -0.2083 -0.2083 -0.0354 -0.0354 2.6931 2.6931 3.5755 3.5755 8.4648 8.4648 9.5352 9.5352 10.2943 10.2943 11.5797 11.5797 k = 0.3878-0.0036 0.1652 ( 4087 PWs) bands (ev): -46.8573 -46.8573 -46.8529 -46.8529 -18.9390 -18.9390 -18.9219 -18.9219 -18.7676 -18.7676 -18.7538 -18.7538 -18.7099 -18.7099 -18.7005 -18.7005 -13.7977 -13.7977 -11.7530 -11.7530 -1.7511 -1.7511 -1.3844 -1.3844 -0.2071 -0.2071 -0.0331 -0.0331 2.7056 2.7056 3.5725 3.5725 8.4717 8.4717 9.4723 9.4723 10.2958 10.2958 11.6120 11.6120 k = 0.3776-0.0035 0.1608 ( 4086 PWs) bands (ev): -46.8575 -46.8575 -46.8528 -46.8528 -18.9393 -18.9393 -18.9207 -18.9207 -18.7678 -18.7678 -18.7530 -18.7530 -18.7102 -18.7102 -18.7001 -18.7001 -13.8021 -13.8021 -11.7545 -11.7545 -1.7605 -1.7605 -1.3592 -1.3592 -0.2061 -0.2061 -0.0306 -0.0306 2.7194 2.7194 3.5693 3.5693 8.4750 8.4750 9.4140 9.4140 10.2966 10.2966 11.6396 11.6396 k = 0.3673-0.0034 0.1565 ( 4086 PWs) bands (ev): -46.8577 -46.8577 -46.8526 -46.8526 -18.9395 -18.9395 -18.9194 -18.9194 -18.7680 -18.7680 -18.7522 -18.7522 -18.7104 -18.7104 -18.6997 -18.6997 -13.8068 -13.8068 -11.7560 -11.7560 -1.7703 -1.7703 -1.3325 -1.3325 -0.2051 -0.2051 -0.0280 -0.0280 2.7345 2.7345 3.5659 3.5659 8.4731 8.4731 9.3624 9.3624 10.2968 10.2968 11.6621 11.6621 k = 0.3571-0.0033 0.1522 ( 4085 PWs) bands (ev): -46.8579 -46.8579 -46.8525 -46.8525 -18.9397 -18.9397 -18.9181 -18.9181 -18.7682 -18.7682 -18.7514 -18.7514 -18.7106 -18.7106 -18.6992 -18.6992 -13.8118 -13.8118 -11.7577 -11.7577 -1.7803 -1.7803 -1.3042 -1.3042 -0.2043 -0.2043 -0.0251 -0.0251 2.7508 2.7508 3.5623 3.5623 8.4643 8.4643 9.3192 9.3192 10.2966 10.2966 11.6794 11.6794 k = 0.3469-0.0032 0.1478 ( 4093 PWs) bands (ev): -46.8581 -46.8581 -46.8524 -46.8524 -18.9400 -18.9400 -18.9167 -18.9167 -18.7685 -18.7685 -18.7506 -18.7506 -18.7108 -18.7108 -18.6989 -18.6989 -13.8170 -13.8170 -11.7594 -11.7594 -1.7907 -1.7907 -1.2744 -1.2744 -0.2037 -0.2037 -0.0221 -0.0221 2.7683 2.7683 3.5585 3.5585 8.4468 8.4468 9.2863 9.2863 10.2960 10.2960 11.6916 11.6916 k = 0.3367-0.0031 0.1435 ( 4090 PWs) bands (ev): -46.8583 -46.8583 -46.8522 -46.8522 -18.9402 -18.9402 -18.9153 -18.9153 -18.7686 -18.7686 -18.7497 -18.7497 -18.7109 -18.7109 -18.6985 -18.6985 -13.8225 -13.8225 -11.7612 -11.7612 -1.8012 -1.8012 -1.2431 -1.2431 -0.2033 -0.2033 -0.0189 -0.0189 2.7871 2.7871 3.5545 3.5545 8.4199 8.4199 9.2649 9.2649 10.2949 10.2949 11.6991 11.6991 k = 0.3265-0.0030 0.1391 ( 4090 PWs) bands (ev): -46.8585 -46.8585 -46.8521 -46.8521 -18.9404 -18.9404 -18.9139 -18.9139 -18.7688 -18.7688 -18.7488 -18.7488 -18.7111 -18.7111 -18.6981 -18.6981 -13.8282 -13.8282 -11.7630 -11.7630 -1.8120 -1.8120 -1.2105 -1.2105 -0.2031 -0.2031 -0.0156 -0.0156 2.8071 2.8071 3.5505 3.5505 8.3831 8.3831 9.2552 9.2552 10.2935 10.2935 11.7020 11.7020 k = 0.3163-0.0029 0.1348 ( 4094 PWs) bands (ev): -46.8587 -46.8587 -46.8520 -46.8520 -18.9406 -18.9406 -18.9125 -18.9125 -18.7691 -18.7691 -18.7478 -18.7478 -18.7112 -18.7112 -18.6977 -18.6977 -13.8340 -13.8340 -11.7649 -11.7649 -1.8229 -1.8229 -1.1766 -1.1766 -0.2031 -0.2031 -0.0122 -0.0122 2.8282 2.8282 3.5463 3.5463 8.3372 8.3372 9.2567 9.2567 10.2917 10.2917 11.7007 11.7007 k = 0.3061-0.0028 0.1304 ( 4093 PWs) bands (ev): -46.8589 -46.8589 -46.8519 -46.8519 -18.9408 -18.9408 -18.9111 -18.9111 -18.7692 -18.7692 -18.7469 -18.7469 -18.7112 -18.7112 -18.6973 -18.6973 -13.8401 -13.8401 -11.7669 -11.7669 -1.8340 -1.8340 -1.1414 -1.1414 -0.2032 -0.2032 -0.0088 -0.0088 2.8504 2.8504 3.5420 3.5420 8.2833 8.2833 9.2683 9.2683 10.2896 10.2896 11.6957 11.6957 k = 0.2959-0.0027 0.1261 ( 4091 PWs) bands (ev): -46.8591 -46.8591 -46.8518 -46.8518 -18.9409 -18.9409 -18.9096 -18.9096 -18.7694 -18.7694 -18.7459 -18.7459 -18.7112 -18.7112 -18.6969 -18.6969 -13.8462 -13.8462 -11.7689 -11.7689 -1.8452 -1.8452 -1.1052 -1.1052 -0.2036 -0.2036 -0.0053 -0.0053 2.8736 2.8736 3.5377 3.5377 8.2231 8.2231 9.2883 9.2883 10.2872 10.2872 11.6874 11.6874 k = 0.2857-0.0026 0.1217 ( 4093 PWs) bands (ev): -46.8593 -46.8593 -46.8517 -46.8517 -18.9411 -18.9411 -18.9082 -18.9082 -18.7696 -18.7696 -18.7449 -18.7449 -18.7112 -18.7112 -18.6965 -18.6965 -13.8525 -13.8525 -11.7710 -11.7710 -1.8565 -1.8565 -1.0679 -1.0679 -0.2041 -0.2041 -0.0018 -0.0018 2.8977 2.8977 3.5333 3.5333 8.1579 8.1579 9.3155 9.3155 10.2845 10.2845 11.6761 11.6761 k = 0.2755-0.0025 0.1174 ( 4094 PWs) bands (ev): -46.8595 -46.8595 -46.8516 -46.8516 -18.9413 -18.9413 -18.9067 -18.9067 -18.7698 -18.7698 -18.7439 -18.7439 -18.7112 -18.7112 -18.6961 -18.6961 -13.8589 -13.8589 -11.7730 -11.7730 -1.8678 -1.8678 -1.0298 -1.0298 -0.2047 -0.2047 0.0017 0.0017 2.9228 2.9228 3.5289 3.5289 8.0892 8.0892 9.3484 9.3484 10.2815 10.2815 11.6623 11.6623 k = 0.2653-0.0025 0.1130 ( 4091 PWs) bands (ev): -46.8597 -46.8597 -46.8515 -46.8515 -18.9415 -18.9415 -18.9053 -18.9053 -18.7700 -18.7700 -18.7429 -18.7429 -18.7112 -18.7112 -18.6957 -18.6957 -13.8654 -13.8654 -11.7751 -11.7751 -1.8792 -1.8792 -0.9908 -0.9908 -0.2055 -0.2055 0.0052 0.0052 2.9486 2.9486 3.5245 3.5245 8.0180 8.0180 9.3860 9.3860 10.2782 10.2782 11.6462 11.6462 k = 0.2551-0.0024 0.1087 ( 4088 PWs) bands (ev): -46.8599 -46.8599 -46.8513 -46.8513 -18.9417 -18.9417 -18.9039 -18.9039 -18.7702 -18.7702 -18.7418 -18.7418 -18.7111 -18.7111 -18.6952 -18.6952 -13.8718 -13.8718 -11.7772 -11.7772 -1.8905 -1.8905 -0.9512 -0.9512 -0.2065 -0.2065 0.0085 0.0085 2.9750 2.9750 3.5202 3.5202 7.9452 7.9452 9.4272 9.4272 10.2746 10.2746 11.6284 11.6284 k = 0.2449-0.0023 0.1043 ( 4089 PWs) bands (ev): -46.8601 -46.8601 -46.8513 -46.8513 -18.9418 -18.9418 -18.9024 -18.9024 -18.7704 -18.7704 -18.7408 -18.7408 -18.7111 -18.7111 -18.6948 -18.6948 -13.8783 -13.8783 -11.7793 -11.7793 -1.9017 -1.9017 -0.9110 -0.9110 -0.2075 -0.2075 0.0118 0.0118 3.0020 3.0020 3.5158 3.5158 7.8717 7.8717 9.4715 9.4715 10.2708 10.2708 11.6092 11.6092 k = 0.2347-0.0022 0.1000 ( 4089 PWs) bands (ev): -46.8602 -46.8602 -46.8512 -46.8512 -18.9420 -18.9420 -18.9011 -18.9011 -18.7705 -18.7705 -18.7398 -18.7398 -18.7110 -18.7110 -18.6944 -18.6944 -13.8848 -13.8848 -11.7814 -11.7814 -1.9129 -1.9129 -0.8705 -0.8705 -0.2086 -0.2086 0.0151 0.0151 3.0293 3.0293 3.5116 3.5116 7.7980 7.7980 9.5180 9.5180 10.2668 10.2668 11.5889 11.5889 k = 0.2245-0.0021 0.0956 ( 4091 PWs) bands (ev): -46.8604 -46.8604 -46.8511 -46.8511 -18.9422 -18.9422 -18.8997 -18.8997 -18.7707 -18.7707 -18.7387 -18.7387 -18.7109 -18.7109 -18.6939 -18.6939 -13.8912 -13.8912 -11.7834 -11.7834 -1.9240 -1.9240 -0.8297 -0.8297 -0.2098 -0.2098 0.0182 0.0182 3.0569 3.0569 3.5074 3.5074 7.7246 7.7246 9.5662 9.5662 10.2627 10.2627 11.5679 11.5679 k = 0.2143-0.0020 0.0913 ( 4097 PWs) bands (ev): -46.8606 -46.8606 -46.8510 -46.8510 -18.9425 -18.9425 -18.8984 -18.8984 -18.7710 -18.7710 -18.7377 -18.7377 -18.7109 -18.7109 -18.6934 -18.6934 -13.8976 -13.8976 -11.7855 -11.7855 -1.9348 -1.9348 -0.7889 -0.7889 -0.2110 -0.2110 0.0211 0.0211 3.0846 3.0846 3.5033 3.5033 7.6520 7.6520 9.6157 9.6157 10.2584 10.2584 11.5465 11.5465 k = 0.2041-0.0019 0.0869 ( 4100 PWs) bands (ev): -46.8608 -46.8608 -46.8509 -46.8509 -18.9427 -18.9427 -18.8971 -18.8971 -18.7712 -18.7712 -18.7367 -18.7367 -18.7109 -18.7109 -18.6929 -18.6929 -13.9038 -13.9038 -11.7875 -11.7875 -1.9455 -1.9455 -0.7482 -0.7482 -0.2122 -0.2122 0.0240 0.0240 3.1122 3.1122 3.4995 3.4995 7.5805 7.5805 9.6659 9.6659 10.2541 10.2541 11.5251 11.5251 k = 0.1939-0.0018 0.0826 ( 4097 PWs) bands (ev): -46.8609 -46.8609 -46.8509 -46.8509 -18.9429 -18.9429 -18.8958 -18.8958 -18.7714 -18.7714 -18.7356 -18.7356 -18.7108 -18.7108 -18.6924 -18.6924 -13.9100 -13.9100 -11.7894 -11.7894 -1.9559 -1.9559 -0.7077 -0.7077 -0.2134 -0.2134 0.0268 0.0268 3.1395 3.1395 3.4958 3.4958 7.5105 7.5105 9.7164 9.7164 10.2499 10.2499 11.5040 11.5040 k = 0.1837-0.0017 0.0783 ( 4097 PWs) bands (ev): -46.8611 -46.8611 -46.8508 -46.8508 -18.9430 -18.9430 -18.8946 -18.8946 -18.7715 -18.7715 -18.7346 -18.7346 -18.7108 -18.7108 -18.6919 -18.6919 -13.9160 -13.9160 -11.7913 -11.7913 -1.9660 -1.9660 -0.6678 -0.6678 -0.2145 -0.2145 0.0295 0.0295 3.1664 3.1664 3.4924 3.4924 7.4424 7.4424 9.7666 9.7666 10.2460 10.2460 11.4835 11.4835 k = 0.1735-0.0016 0.0739 ( 4099 PWs) bands (ev): -46.8612 -46.8612 -46.8507 -46.8507 -18.9432 -18.9432 -18.8935 -18.8935 -18.7717 -18.7717 -18.7336 -18.7336 -18.7109 -18.7109 -18.6913 -18.6913 -13.9218 -13.9218 -11.7932 -11.7932 -1.9758 -1.9758 -0.6285 -0.6285 -0.2156 -0.2156 0.0320 0.0320 3.1927 3.1927 3.4892 3.4892 7.3763 7.3763 9.8159 9.8159 10.2425 10.2425 11.4639 11.4639 k = 0.1633-0.0015 0.0696 ( 4097 PWs) bands (ev): -46.8613 -46.8613 -46.8507 -46.8507 -18.9434 -18.9434 -18.8923 -18.8923 -18.7719 -18.7719 -18.7326 -18.7326 -18.7109 -18.7109 -18.6908 -18.6908 -13.9274 -13.9274 -11.7950 -11.7950 -1.9853 -1.9853 -0.5901 -0.5901 -0.2166 -0.2166 0.0344 0.0344 3.2181 3.2181 3.4864 3.4864 7.3125 7.3125 9.8638 9.8638 10.2398 10.2398 11.4454 11.4454 k = 0.1531-0.0014 0.0652 ( 4096 PWs) bands (ev): -46.8615 -46.8615 -46.8506 -46.8506 -18.9436 -18.9436 -18.8913 -18.8913 -18.7721 -18.7721 -18.7316 -18.7316 -18.7110 -18.7110 -18.6902 -18.6902 -13.9328 -13.9328 -11.7967 -11.7967 -1.9943 -1.9943 -0.5529 -0.5529 -0.2174 -0.2174 0.0368 0.0368 3.2425 3.2425 3.4841 3.4841 7.2514 7.2514 9.9094 9.9094 10.2384 10.2384 11.4284 11.4284 k = 0.1429-0.0013 0.0609 ( 4100 PWs) bands (ev): -46.8616 -46.8616 -46.8506 -46.8506 -18.9438 -18.9438 -18.8903 -18.8903 -18.7723 -18.7723 -18.7306 -18.7306 -18.7111 -18.7111 -18.6897 -18.6897 -13.9380 -13.9380 -11.7983 -11.7983 -2.0030 -2.0030 -0.5170 -0.5170 -0.2181 -0.2181 0.0390 0.0390 3.2656 3.2656 3.4822 3.4822 7.1930 7.1930 9.9517 9.9517 10.2388 10.2388 11.4131 11.4131 k = 0.1327-0.0012 0.0565 ( 4101 PWs) bands (ev): -46.8617 -46.8617 -46.8505 -46.8505 -18.9440 -18.9440 -18.8893 -18.8893 -18.7725 -18.7725 -18.7296 -18.7296 -18.7112 -18.7112 -18.6891 -18.6891 -13.9429 -13.9429 -11.7999 -11.7999 -2.0112 -2.0112 -0.4828 -0.4828 -0.2185 -0.2185 0.0412 0.0412 3.2872 3.2872 3.4809 3.4809 7.1377 7.1377 9.9896 9.9896 10.2420 10.2420 11.3997 11.3997 k = 0.1224-0.0011 0.0522 ( 4104 PWs) bands (ev): -46.8618 -46.8618 -46.8505 -46.8505 -18.9442 -18.9442 -18.8884 -18.8884 -18.7727 -18.7727 -18.7287 -18.7287 -18.7114 -18.7114 -18.6885 -18.6885 -13.9475 -13.9475 -11.8013 -11.8013 -2.0189 -2.0189 -0.4504 -0.4504 -0.2187 -0.2187 0.0433 0.0433 3.3070 3.3070 3.4803 3.4803 7.0857 7.0857 10.0219 10.0219 10.2488 10.2488 11.3882 11.3882 k = 0.1122-0.0010 0.0478 ( 4108 PWs) bands (ev): -46.8619 -46.8619 -46.8505 -46.8505 -18.9444 -18.9444 -18.8876 -18.8876 -18.7728 -18.7728 -18.7278 -18.7278 -18.7116 -18.7116 -18.6880 -18.6880 -13.9519 -13.9519 -11.8027 -11.8027 -2.0261 -2.0261 -0.4203 -0.4203 -0.2184 -0.2184 0.0453 0.0453 3.3249 3.3249 3.4806 3.4806 7.0371 7.0371 10.0473 10.0473 10.2601 10.2601 11.3789 11.3789 k = 0.1020-0.0009 0.0435 ( 4110 PWs) bands (ev): -46.8620 -46.8620 -46.8504 -46.8504 -18.9446 -18.9446 -18.8868 -18.8868 -18.7730 -18.7730 -18.7269 -18.7269 -18.7119 -18.7119 -18.6875 -18.6875 -13.9559 -13.9559 -11.8039 -11.8039 -2.0328 -2.0328 -0.3925 -0.3925 -0.2177 -0.2177 0.0472 0.0472 3.3406 3.3406 3.4817 3.4817 6.9922 6.9922 10.0656 10.0656 10.2760 10.2760 11.3717 11.3717 k = 0.0918-0.0008 0.0391 ( 4112 PWs) bands (ev): -46.8621 -46.8621 -46.8504 -46.8504 -18.9447 -18.9447 -18.8862 -18.8862 -18.7732 -18.7732 -18.7260 -18.7260 -18.7121 -18.7121 -18.6870 -18.6870 -13.9596 -13.9596 -11.8051 -11.8051 -2.0389 -2.0389 -0.3675 -0.3675 -0.2163 -0.2163 0.0491 0.0491 3.3540 3.3540 3.4839 3.4839 6.9510 6.9510 10.0775 10.0775 10.2953 10.2953 11.3665 11.3665 k = 0.0816-0.0008 0.0348 ( 4112 PWs) bands (ev): -46.8622 -46.8622 -46.8504 -46.8504 -18.9449 -18.9449 -18.8855 -18.8855 -18.7733 -18.7733 -18.7252 -18.7252 -18.7124 -18.7124 -18.6866 -18.6866 -13.9629 -13.9629 -11.8061 -11.8061 -2.0445 -2.0445 -0.3456 -0.3456 -0.2142 -0.2142 0.0509 0.0509 3.3650 3.3650 3.4870 3.4870 6.9138 6.9138 10.0844 10.0844 10.3165 10.3165 11.3634 11.3634 k = 0.0714-0.0007 0.0304 ( 4115 PWs) bands (ev): -46.8623 -46.8623 -46.8503 -46.8503 -18.9450 -18.9450 -18.8850 -18.8850 -18.7734 -18.7734 -18.7244 -18.7244 -18.7128 -18.7128 -18.6861 -18.6861 -13.9659 -13.9659 -11.8071 -11.8071 -2.0494 -2.0494 -0.3270 -0.3270 -0.2112 -0.2112 0.0526 0.0526 3.3737 3.3737 3.4908 3.4908 6.8806 6.8806 10.0879 10.0879 10.3379 10.3379 11.3619 11.3619 k = 0.0612-0.0006 0.0261 ( 4113 PWs) bands (ev): -46.8623 -46.8623 -46.8503 -46.8503 -18.9451 -18.9451 -18.8845 -18.8845 -18.7735 -18.7735 -18.7237 -18.7237 -18.7131 -18.7131 -18.6858 -18.6858 -13.9685 -13.9685 -11.8079 -11.8079 -2.0537 -2.0537 -0.3119 -0.3119 -0.2075 -0.2075 0.0542 0.0542 3.3804 3.3804 3.4951 3.4951 6.8517 6.8517 10.0893 10.0893 10.3582 10.3582 11.3619 11.3619 k = 0.0510-0.0005 0.0217 ( 4114 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9452 -18.9452 -18.8841 -18.8841 -18.7736 -18.7736 -18.7230 -18.7230 -18.7134 -18.7134 -18.6854 -18.6854 -13.9707 -13.9707 -11.8086 -11.8086 -2.0574 -2.0574 -0.3002 -0.3002 -0.2030 -0.2030 0.0556 0.0556 3.3853 3.3853 3.4996 3.4996 6.8270 6.8270 10.0894 10.0894 10.3762 10.3762 11.3630 11.3630 k = 0.0408-0.0004 0.0174 ( 4114 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9453 -18.9453 -18.8837 -18.8837 -18.7737 -18.7737 -18.7224 -18.7224 -18.7138 -18.7138 -18.6852 -18.6852 -13.9725 -13.9725 -11.8091 -11.8091 -2.0604 -2.0604 -0.2916 -0.2916 -0.1983 -0.1983 0.0569 0.0569 3.3888 3.3888 3.5038 3.5038 6.8067 6.8067 10.0888 10.0888 10.3916 10.3916 11.3646 11.3646 k = 0.0306-0.0003 0.0130 ( 4115 PWs) bands (ev): -46.8624 -46.8624 -46.8503 -46.8503 -18.9454 -18.9454 -18.8835 -18.8835 -18.7737 -18.7737 -18.7218 -18.7218 -18.7141 -18.7141 -18.6849 -18.6849 -13.9740 -13.9740 -11.8096 -11.8096 -2.0628 -2.0628 -0.2855 -0.2855 -0.1939 -0.1939 0.0579 0.0579 3.3913 3.3913 3.5074 3.5074 6.7908 6.7908 10.0880 10.0880 10.4037 10.4037 11.3665 11.3665 k = 0.0204-0.0002 0.0087 ( 4119 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9454 -18.9454 -18.8833 -18.8833 -18.7738 -18.7738 -18.7215 -18.7215 -18.7143 -18.7143 -18.6848 -18.6848 -13.9750 -13.9750 -11.8099 -11.8099 -2.0645 -2.0645 -0.2817 -0.2817 -0.1903 -0.1903 0.0587 0.0587 3.3928 3.3928 3.5101 3.5101 6.7795 6.7795 10.0873 10.0873 10.4126 10.4126 11.3682 11.3682 k = 0.0102-0.0001 0.0043 ( 4122 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8832 -18.8832 -18.7738 -18.7738 -18.7212 -18.7212 -18.7145 -18.7145 -18.6847 -18.6847 -13.9756 -13.9756 -11.8101 -11.8101 -2.0655 -2.0655 -0.2795 -0.2795 -0.1880 -0.1880 0.0591 0.0591 3.3937 3.3937 3.5119 3.5119 6.7726 6.7726 10.0868 10.0868 10.4179 10.4179 11.3693 11.3693 k = 0.0000 0.0000 0.0000 ( 4123 PWs) bands (ev): -46.8625 -46.8625 -46.8503 -46.8503 -18.9455 -18.9455 -18.8831 -18.8831 -18.7739 -18.7739 -18.7211 -18.7211 -18.7146 -18.7146 -18.6847 -18.6847 -13.9758 -13.9758 -11.8102 -11.8102 -2.0659 -2.0659 -0.2788 -0.2788 -0.1872 -0.1872 0.0593 0.0593 3.3939 3.3939 3.5124 3.5124 6.7704 6.7704 10.0866 10.0866 10.4197 10.4197 11.3697 11.3697 Writing output data file Na2CN2.save init_run : 0.28s CPU 0.57s WALL ( 1 calls) electrons : 93.22s CPU 95.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 93.22s CPU 95.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 441 calls) cegterg : 84.82s CPU 86.14s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 50.98s CPU 52.22s WALL ( 7244 calls) s_psi : 1.22s CPU 1.20s WALL ( 7244 calls) g_psi : 0.16s CPU 0.18s WALL ( 6344 calls) cdiaghg : 29.28s CPU 29.72s WALL ( 6785 calls) cegterg:over : 3.62s CPU 3.55s WALL ( 6344 calls) cegterg:upda : 2.84s CPU 2.89s WALL ( 6344 calls) cegterg:last : 2.13s CPU 2.04s WALL ( 1335 calls) cdiaghg:chol : 1.64s CPU 1.60s WALL ( 6785 calls) cdiaghg:inve : 0.79s CPU 0.80s WALL ( 6785 calls) cdiaghg:para : 1.73s CPU 1.77s WALL ( 13570 calls) Called by h_psi: h_psi:vloc : 47.10s CPU 48.38s WALL ( 7244 calls) h_psi:vnl : 3.66s CPU 3.68s WALL ( 7244 calls) add_vuspsi : 1.36s CPU 1.45s WALL ( 7244 calls) General routines calbec : 2.26s CPU 2.21s WALL ( 7244 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 44.67s CPU 45.84s WALL ( 633984 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.21s WALL ( 882 calls) Parallel routines fft_scatter : 18.28s CPU 18.88s WALL ( 634007 calls) PWSCF : 1m49.25s CPU 2m35.13s WALL This run was terminated on: 16:55:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=