Program PWSCF v.5.4.0 starts on 10Feb2017 at 20:53: 8 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./FeAgS2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 77 60 17 1916 1288 197 Max 78 61 18 1919 1318 199 Sum 2795 2163 615 69019 46927 7119 bravais-lattice index = 14 lattice parameter (alat) = 12.3253 a.u. unit-cell volume = 1113.3625 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.325346 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.623468 celldm(5)= -0.623468 celldm(6)= 0.246935 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.246935 0.969032 0.000000 ) a(3) = ( -0.623468 -0.484516 0.613622 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.254827 0.814833 ) b(2) = ( 0.000000 1.031958 0.814833 ) b(3) = ( 0.000000 0.000000 1.629667 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.1234676 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4845160 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3068112 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 281 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0000000 0.0203708), wk = 0.0035587 k( 3) = ( 0.0000000 0.0000000 0.0407417), wk = 0.0035587 k( 4) = ( 0.0000000 0.0000000 0.0611125), wk = 0.0035587 k( 5) = ( 0.0000000 0.0000000 0.0814833), wk = 0.0035587 k( 6) = ( 0.0000000 0.0000000 0.1018542), wk = 0.0035587 k( 7) = ( 0.0000000 0.0000000 0.1222250), wk = 0.0035587 k( 8) = ( 0.0000000 0.0000000 0.1425959), wk = 0.0035587 k( 9) = ( 0.0000000 0.0000000 0.1629667), wk = 0.0035587 k( 10) = ( 0.0000000 0.0000000 0.1833375), wk = 0.0035587 k( 11) = ( 0.0000000 0.0000000 0.2037084), wk = 0.0035587 k( 12) = ( 0.0000000 0.0000000 0.2240792), wk = 0.0035587 k( 13) = ( 0.0000000 0.0000000 0.2444500), wk = 0.0035587 k( 14) = ( 0.0000000 0.0000000 0.2648209), wk = 0.0035587 k( 15) = ( 0.0000000 0.0000000 0.2851917), wk = 0.0035587 k( 16) = ( 0.0000000 0.0000000 0.3055625), wk = 0.0035587 k( 17) = ( 0.0000000 0.0000000 0.3259334), wk = 0.0035587 k( 18) = ( 0.0000000 0.0000000 0.3463042), wk = 0.0035587 k( 19) = ( 0.0000000 0.0000000 0.3666750), wk = 0.0035587 k( 20) = ( 0.0000000 0.0000000 0.3870459), wk = 0.0035587 k( 21) = ( 0.0000000 0.0000000 0.4074167), wk = 0.0035587 k( 22) = ( 0.0000000 0.0000000 0.4277876), wk = 0.0035587 k( 23) = ( 0.0000000 0.0000000 0.4481584), wk = 0.0035587 k( 24) = ( 0.0000000 0.0000000 0.4685292), wk = 0.0035587 k( 25) = ( 0.0000000 0.0000000 0.4889001), wk = 0.0035587 k( 26) = ( 0.0000000 0.0000000 0.5092709), wk = 0.0035587 k( 27) = ( 0.0000000 0.0000000 0.5296417), wk = 0.0035587 k( 28) = ( 0.0000000 0.0000000 0.5500126), wk = 0.0035587 k( 29) = ( 0.0000000 0.0000000 0.5703834), wk = 0.0035587 k( 30) = ( 0.0000000 0.0000000 0.5907542), wk = 0.0035587 k( 31) = ( 0.0000000 0.0000000 0.6111251), wk = 0.0035587 k( 32) = ( 0.0000000 0.0000000 0.6314959), wk = 0.0035587 k( 33) = ( 0.0000000 0.0000000 0.6518668), wk = 0.0035587 k( 34) = ( 0.0000000 0.0000000 0.6722376), wk = 0.0035587 k( 35) = ( 0.0000000 0.0000000 0.6926084), wk = 0.0035587 k( 36) = ( 0.0000000 0.0000000 0.7129793), wk = 0.0035587 k( 37) = ( 0.0000000 0.0000000 0.7333501), wk = 0.0035587 k( 38) = ( 0.0000000 0.0000000 0.7537209), wk = 0.0035587 k( 39) = ( 0.0000000 0.0000000 0.7740918), wk = 0.0035587 k( 40) = ( 0.0000000 0.0000000 0.7944626), wk = 0.0035587 k( 41) = ( 0.0000000 0.0000000 0.8148334), wk = 0.0035587 k( 42) = ( 0.0000000 0.0000000 0.8148334), wk = 0.0035587 k( 43) = ( -0.0125819 0.0161902 0.8148334), wk = 0.0035587 k( 44) = ( -0.0251639 0.0323805 0.8148334), wk = 0.0035587 k( 45) = ( -0.0377458 0.0485707 0.8148334), wk = 0.0035587 k( 46) = ( -0.0503277 0.0647609 0.8148334), wk = 0.0035587 k( 47) = ( -0.0629096 0.0809511 0.8148334), wk = 0.0035587 k( 48) = ( -0.0754916 0.0971414 0.8148334), wk = 0.0035587 k( 49) = ( -0.0880735 0.1133316 0.8148334), wk = 0.0035587 k( 50) = ( -0.1006554 0.1295218 0.8148334), wk = 0.0035587 k( 51) = ( -0.1132374 0.1457121 0.8148334), wk = 0.0035587 k( 52) = ( -0.1258193 0.1619023 0.8148334), wk = 0.0035587 k( 53) = ( -0.1384012 0.1780925 0.8148334), wk = 0.0035587 k( 54) = ( -0.1509831 0.1942827 0.8148334), wk = 0.0035587 k( 55) = ( -0.1509831 0.1942827 0.8148334), wk = 0.0035587 k( 56) = ( -0.1597086 0.2055105 0.8006139), wk = 0.0035587 k( 57) = ( -0.1684340 0.2167382 0.7863944), wk = 0.0035587 k( 58) = ( -0.1771594 0.2279659 0.7721748), wk = 0.0035587 k( 59) = ( -0.1858848 0.2391937 0.7579553), wk = 0.0035587 k( 60) = ( -0.1946102 0.2504214 0.7437358), wk = 0.0035587 k( 61) = ( -0.2033357 0.2616492 0.7295163), wk = 0.0035587 k( 62) = ( -0.2120611 0.2728769 0.7152967), wk = 0.0035587 k( 63) = ( -0.2207865 0.2841046 0.7010772), wk = 0.0035587 k( 64) = ( -0.2295119 0.2953324 0.6868577), wk = 0.0035587 k( 65) = ( -0.2382373 0.3065601 0.6726381), wk = 0.0035587 k( 66) = ( -0.2469628 0.3177878 0.6584186), wk = 0.0035587 k( 67) = ( -0.2556882 0.3290156 0.6441991), wk = 0.0035587 k( 68) = ( -0.2644136 0.3402433 0.6299795), wk = 0.0035587 k( 69) = ( -0.2731390 0.3514710 0.6157600), wk = 0.0035587 k( 70) = ( -0.2818644 0.3626988 0.6015405), wk = 0.0035587 k( 71) = ( -0.2905899 0.3739265 0.5873209), wk = 0.0035587 k( 72) = ( -0.2993153 0.3851543 0.5731014), wk = 0.0035587 k( 73) = ( -0.3080407 0.3963820 0.5588819), wk = 0.0035587 k( 74) = ( -0.3167661 0.4076097 0.5446624), wk = 0.0035587 k( 75) = ( -0.3254916 0.4188375 0.5304428), wk = 0.0035587 k( 76) = ( -0.3254916 0.4188375 0.5304428), wk = 0.0035587 k( 77) = ( -0.3166945 0.4075175 0.5161065), wk = 0.0035587 k( 78) = ( -0.3078974 0.3961976 0.5017702), wk = 0.0035587 k( 79) = ( -0.2991004 0.3848777 0.4874340), wk = 0.0035587 k( 80) = ( -0.2903033 0.3735578 0.4730977), wk = 0.0035587 k( 81) = ( -0.2815062 0.3622378 0.4587614), wk = 0.0035587 k( 82) = ( -0.2727092 0.3509179 0.4444251), wk = 0.0035587 k( 83) = ( -0.2639121 0.3395980 0.4300888), wk = 0.0035587 k( 84) = ( -0.2551150 0.3282780 0.4157525), wk = 0.0035587 k( 85) = ( -0.2463179 0.3169581 0.4014162), wk = 0.0035587 k( 86) = ( -0.2375209 0.3056382 0.3870799), wk = 0.0035587 k( 87) = ( -0.2287238 0.2943182 0.3727436), wk = 0.0035587 k( 88) = ( -0.2199267 0.2829983 0.3584073), wk = 0.0035587 k( 89) = ( -0.2111297 0.2716784 0.3440710), wk = 0.0035587 k( 90) = ( -0.2023326 0.2603584 0.3297347), wk = 0.0035587 k( 91) = ( -0.1935355 0.2490385 0.3153984), wk = 0.0035587 k( 92) = ( -0.1847385 0.2377186 0.3010622), wk = 0.0035587 k( 93) = ( -0.1759414 0.2263986 0.2867259), wk = 0.0035587 k( 94) = ( -0.1671443 0.2150787 0.2723896), wk = 0.0035587 k( 95) = ( -0.1583472 0.2037588 0.2580533), wk = 0.0035587 k( 96) = ( -0.1495502 0.1924388 0.2437170), wk = 0.0035587 k( 97) = ( -0.1407531 0.1811189 0.2293807), wk = 0.0035587 k( 98) = ( -0.1319560 0.1697990 0.2150444), wk = 0.0035587 k( 99) = ( -0.1231590 0.1584790 0.2007081), wk = 0.0035587 k( 100) = ( -0.1143619 0.1471591 0.1863718), wk = 0.0035587 k( 101) = ( -0.1055648 0.1358392 0.1720355), wk = 0.0035587 k( 102) = ( -0.0967678 0.1245192 0.1576992), wk = 0.0035587 k( 103) = ( -0.0879707 0.1131993 0.1433629), wk = 0.0035587 k( 104) = ( -0.0791736 0.1018794 0.1290266), wk = 0.0035587 k( 105) = ( -0.0703765 0.0905594 0.1146903), wk = 0.0035587 k( 106) = ( -0.0615795 0.0792395 0.1003541), wk = 0.0035587 k( 107) = ( -0.0527824 0.0679196 0.0860178), wk = 0.0035587 k( 108) = ( -0.0439853 0.0565997 0.0716815), wk = 0.0035587 k( 109) = ( -0.0351883 0.0452797 0.0573452), wk = 0.0035587 k( 110) = ( -0.0263912 0.0339598 0.0430089), wk = 0.0035587 k( 111) = ( -0.0175941 0.0226399 0.0286726), wk = 0.0035587 k( 112) = ( -0.0087971 0.0113199 0.0143363), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 115) = ( 0.0161290 0.0125344 -0.0000000), wk = 0.0035587 k( 116) = ( 0.0322581 0.0250687 -0.0000000), wk = 0.0035587 k( 117) = ( 0.0483871 0.0376031 -0.0000000), wk = 0.0035587 k( 118) = ( 0.0645161 0.0501375 -0.0000000), wk = 0.0035587 k( 119) = ( 0.0806452 0.0626718 -0.0000000), wk = 0.0035587 k( 120) = ( 0.0967742 0.0752062 -0.0000000), wk = 0.0035587 k( 121) = ( 0.1129032 0.0877406 -0.0000000), wk = 0.0035587 k( 122) = ( 0.1290323 0.1002750 -0.0000000), wk = 0.0035587 k( 123) = ( 0.1451613 0.1128093 -0.0000000), wk = 0.0035587 k( 124) = ( 0.1612903 0.1253437 -0.0000000), wk = 0.0035587 k( 125) = ( 0.1774194 0.1378781 -0.0000000), wk = 0.0035587 k( 126) = ( 0.1935484 0.1504124 -0.0000000), wk = 0.0035587 k( 127) = ( 0.2096774 0.1629468 -0.0000000), wk = 0.0035587 k( 128) = ( 0.2258064 0.1754812 -0.0000000), wk = 0.0035587 k( 129) = ( 0.2419355 0.1880155 -0.0000000), wk = 0.0035587 k( 130) = ( 0.2580645 0.2005499 -0.0000000), wk = 0.0035587 k( 131) = ( 0.2741936 0.2130843 -0.0000000), wk = 0.0035587 k( 132) = ( 0.2903226 0.2256187 -0.0000000), wk = 0.0035587 k( 133) = ( 0.3064516 0.2381530 -0.0000000), wk = 0.0035587 k( 134) = ( 0.3225807 0.2506874 -0.0000000), wk = 0.0035587 k( 135) = ( 0.3387097 0.2632218 -0.0000000), wk = 0.0035587 k( 136) = ( 0.3548387 0.2757561 -0.0000000), wk = 0.0035587 k( 137) = ( 0.3709677 0.2882905 -0.0000000), wk = 0.0035587 k( 138) = ( 0.3870968 0.3008249 -0.0000000), wk = 0.0035587 k( 139) = ( 0.4032258 0.3133593 -0.0000000), wk = 0.0035587 k( 140) = ( 0.4193548 0.3258936 -0.0000000), wk = 0.0035587 k( 141) = ( 0.4354839 0.3384280 -0.0000000), wk = 0.0035587 k( 142) = ( 0.4516129 0.3509624 -0.0000000), wk = 0.0035587 k( 143) = ( 0.4677419 0.3634967 -0.0000000), wk = 0.0035587 k( 144) = ( 0.4838710 0.3760311 -0.0000000), wk = 0.0035587 k( 145) = ( 0.5000000 0.3885655 -0.0000000), wk = 0.0035587 k( 146) = ( 0.5000000 0.3885655 -0.0000000), wk = 0.0035587 k( 147) = ( 0.4912746 0.3997932 0.0142195), wk = 0.0035587 k( 148) = ( 0.4825492 0.4110209 0.0284391), wk = 0.0035587 k( 149) = ( 0.4738237 0.4222487 0.0426586), wk = 0.0035587 k( 150) = ( 0.4650983 0.4334764 0.0568781), wk = 0.0035587 k( 151) = ( 0.4563729 0.4447042 0.0710977), wk = 0.0035587 k( 152) = ( 0.4476475 0.4559319 0.0853172), wk = 0.0035587 k( 153) = ( 0.4389221 0.4671596 0.0995367), wk = 0.0035587 k( 154) = ( 0.4301966 0.4783874 0.1137562), wk = 0.0035587 k( 155) = ( 0.4214712 0.4896151 0.1279758), wk = 0.0035587 k( 156) = ( 0.4127458 0.5008428 0.1421953), wk = 0.0035587 k( 157) = ( 0.4040204 0.5120706 0.1564148), wk = 0.0035587 k( 158) = ( 0.3952949 0.5232983 0.1706344), wk = 0.0035587 k( 159) = ( 0.3865695 0.5345260 0.1848539), wk = 0.0035587 k( 160) = ( 0.3778441 0.5457538 0.1990734), wk = 0.0035587 k( 161) = ( 0.3691187 0.5569815 0.2132930), wk = 0.0035587 k( 162) = ( 0.3603932 0.5682093 0.2275125), wk = 0.0035587 k( 163) = ( 0.3516678 0.5794370 0.2417320), wk = 0.0035587 k( 164) = ( 0.3429424 0.5906647 0.2559516), wk = 0.0035587 k( 165) = ( 0.3342170 0.6018925 0.2701711), wk = 0.0035587 k( 166) = ( 0.3254916 0.6131202 0.2843906), wk = 0.0035587 k( 167) = ( 0.3254916 0.6131202 0.2843906), wk = 0.0035587 k( 168) = ( 0.3074087 0.6077235 0.2912254), wk = 0.0035587 k( 169) = ( 0.2893258 0.6023267 0.2980602), wk = 0.0035587 k( 170) = ( 0.2712430 0.5969300 0.3048950), wk = 0.0035587 k( 171) = ( 0.2531601 0.5915332 0.3117297), wk = 0.0035587 k( 172) = ( 0.2350772 0.5861365 0.3185645), wk = 0.0035587 k( 173) = ( 0.2169944 0.5807398 0.3253993), wk = 0.0035587 k( 174) = ( 0.1989115 0.5753430 0.3322341), wk = 0.0035587 k( 175) = ( 0.1808287 0.5699463 0.3390689), wk = 0.0035587 k( 176) = ( 0.1627458 0.5645495 0.3459037), wk = 0.0035587 k( 177) = ( 0.1446629 0.5591528 0.3527384), wk = 0.0035587 k( 178) = ( 0.1265800 0.5537560 0.3595732), wk = 0.0035587 k( 179) = ( 0.1084972 0.5483593 0.3664080), wk = 0.0035587 k( 180) = ( 0.0904143 0.5429626 0.3732428), wk = 0.0035587 k( 181) = ( 0.0723315 0.5375658 0.3800776), wk = 0.0035587 k( 182) = ( 0.0542486 0.5321691 0.3869124), wk = 0.0035587 k( 183) = ( 0.0361657 0.5267723 0.3937472), wk = 0.0035587 k( 184) = ( 0.0180829 0.5213756 0.4005819), wk = 0.0035587 k( 185) = ( 0.0000000 0.5159788 0.4074167), wk = 0.0035587 k( 186) = ( 0.0000000 0.5159788 0.4074167), wk = 0.0035587 k( 187) = ( 0.0089286 0.5044897 0.4219673), wk = 0.0035587 k( 188) = ( 0.0178571 0.4930006 0.4365179), wk = 0.0035587 k( 189) = ( 0.0267857 0.4815114 0.4510685), wk = 0.0035587 k( 190) = ( 0.0357143 0.4700223 0.4656191), wk = 0.0035587 k( 191) = ( 0.0446429 0.4585331 0.4801697), wk = 0.0035587 k( 192) = ( 0.0535714 0.4470440 0.4947203), wk = 0.0035587 k( 193) = ( 0.0625000 0.4355548 0.5092709), wk = 0.0035587 k( 194) = ( 0.0714286 0.4240657 0.5238215), wk = 0.0035587 k( 195) = ( 0.0803571 0.4125765 0.5383721), wk = 0.0035587 k( 196) = ( 0.0892857 0.4010874 0.5529227), wk = 0.0035587 k( 197) = ( 0.0982143 0.3895982 0.5674733), wk = 0.0035587 k( 198) = ( 0.1071429 0.3781091 0.5820239), wk = 0.0035587 k( 199) = ( 0.1160714 0.3666199 0.5965745), wk = 0.0035587 k( 200) = ( 0.1250000 0.3551308 0.6111251), wk = 0.0035587 k( 201) = ( 0.1339286 0.3436416 0.6256757), wk = 0.0035587 k( 202) = ( 0.1428571 0.3321525 0.6402263), wk = 0.0035587 k( 203) = ( 0.1517857 0.3206634 0.6547769), wk = 0.0035587 k( 204) = ( 0.1607143 0.3091742 0.6693275), wk = 0.0035587 k( 205) = ( 0.1696429 0.2976851 0.6838781), wk = 0.0035587 k( 206) = ( 0.1785714 0.2861959 0.6984287), wk = 0.0035587 k( 207) = ( 0.1875000 0.2747068 0.7129793), wk = 0.0035587 k( 208) = ( 0.1964286 0.2632176 0.7275299), wk = 0.0035587 k( 209) = ( 0.2053571 0.2517285 0.7420805), wk = 0.0035587 k( 210) = ( 0.2142857 0.2402393 0.7566310), wk = 0.0035587 k( 211) = ( 0.2232143 0.2287502 0.7711817), wk = 0.0035587 k( 212) = ( 0.2321429 0.2172610 0.7857323), wk = 0.0035587 k( 213) = ( 0.2410714 0.2057719 0.8002828), wk = 0.0035587 k( 214) = ( 0.2500000 0.1942827 0.8148334), wk = 0.0035587 k( 215) = ( 0.2500000 0.1942827 0.8148334), wk = 0.0035587 k( 216) = ( 0.2625000 0.2039969 0.8025308), wk = 0.0035587 k( 217) = ( 0.2750000 0.2137110 0.7902282), wk = 0.0035587 k( 218) = ( 0.2875000 0.2234251 0.7779256), wk = 0.0035587 k( 219) = ( 0.3000000 0.2331393 0.7656230), wk = 0.0035587 k( 220) = ( 0.3125000 0.2428534 0.7533204), wk = 0.0035587 k( 221) = ( 0.3250000 0.2525676 0.7410178), wk = 0.0035587 k( 222) = ( 0.3375000 0.2622817 0.7287152), wk = 0.0035587 k( 223) = ( 0.3500000 0.2719958 0.7164126), wk = 0.0035587 k( 224) = ( 0.3625000 0.2817100 0.7041099), wk = 0.0035587 k( 225) = ( 0.3750000 0.2914241 0.6918073), wk = 0.0035587 k( 226) = ( 0.3875000 0.3011382 0.6795047), wk = 0.0035587 k( 227) = ( 0.4000000 0.3108524 0.6672021), wk = 0.0035587 k( 228) = ( 0.4125000 0.3205665 0.6548995), wk = 0.0035587 k( 229) = ( 0.4250000 0.3302807 0.6425969), wk = 0.0035587 k( 230) = ( 0.4375000 0.3399948 0.6302943), wk = 0.0035587 k( 231) = ( 0.4500000 0.3497089 0.6179917), wk = 0.0035587 k( 232) = ( 0.4625000 0.3594231 0.6056891), wk = 0.0035587 k( 233) = ( 0.4750000 0.3691372 0.5933865), wk = 0.0035587 k( 234) = ( 0.4875000 0.3788513 0.5810839), wk = 0.0035587 k( 235) = ( 0.5000000 0.3885655 0.5687812), wk = 0.0035587 k( 236) = ( 0.5000000 0.3885655 0.5687812), wk = 0.0035587 k( 237) = ( 0.5000000 0.3885655 0.5484676), wk = 0.0035587 k( 238) = ( 0.5000000 0.3885655 0.5281540), wk = 0.0035587 k( 239) = ( 0.5000000 0.3885655 0.5078404), wk = 0.0035587 k( 240) = ( 0.5000000 0.3885655 0.4875268), wk = 0.0035587 k( 241) = ( 0.5000000 0.3885655 0.4672132), wk = 0.0035587 k( 242) = ( 0.5000000 0.3885655 0.4468995), wk = 0.0035587 k( 243) = ( 0.5000000 0.3885655 0.4265859), wk = 0.0035587 k( 244) = ( 0.5000000 0.3885655 0.4062723), wk = 0.0035587 k( 245) = ( 0.5000000 0.3885655 0.3859587), wk = 0.0035587 k( 246) = ( 0.5000000 0.3885655 0.3656451), wk = 0.0035587 k( 247) = ( 0.5000000 0.3885655 0.3453315), wk = 0.0035587 k( 248) = ( 0.5000000 0.3885655 0.3250178), wk = 0.0035587 k( 249) = ( 0.5000000 0.3885655 0.3047042), wk = 0.0035587 k( 250) = ( 0.5000000 0.3885655 0.2843906), wk = 0.0035587 k( 251) = ( 0.5000000 0.3885655 0.2640770), wk = 0.0035587 k( 252) = ( 0.5000000 0.3885655 0.2437634), wk = 0.0035587 k( 253) = ( 0.5000000 0.3885655 0.2234498), wk = 0.0035587 k( 254) = ( 0.5000000 0.3885655 0.2031362), wk = 0.0035587 k( 255) = ( 0.5000000 0.3885655 0.1828225), wk = 0.0035587 k( 256) = ( 0.5000000 0.3885655 0.1625089), wk = 0.0035587 k( 257) = ( 0.5000000 0.3885655 0.1421953), wk = 0.0035587 k( 258) = ( 0.5000000 0.3885655 0.1218817), wk = 0.0035587 k( 259) = ( 0.5000000 0.3885655 0.1015681), wk = 0.0035587 k( 260) = ( 0.5000000 0.3885655 0.0812545), wk = 0.0035587 k( 261) = ( 0.5000000 0.3885655 0.0609408), wk = 0.0035587 k( 262) = ( 0.5000000 0.3885655 0.0406272), wk = 0.0035587 k( 263) = ( 0.5000000 0.3885655 0.0203136), wk = 0.0035587 k( 264) = ( 0.5000000 0.3885655 -0.0000000), wk = 0.0035587 k( 265) = ( 0.0000000 0.0000000 0.8148334), wk = 0.0035587 k( 266) = ( 0.0156250 0.0121427 0.8148334), wk = 0.0035587 k( 267) = ( 0.0312500 0.0242853 0.8148334), wk = 0.0035587 k( 268) = ( 0.0468750 0.0364280 0.8148334), wk = 0.0035587 k( 269) = ( 0.0625000 0.0485707 0.8148334), wk = 0.0035587 k( 270) = ( 0.0781250 0.0607134 0.8148334), wk = 0.0035587 k( 271) = ( 0.0937500 0.0728560 0.8148334), wk = 0.0035587 k( 272) = ( 0.1093750 0.0849987 0.8148334), wk = 0.0035587 k( 273) = ( 0.1250000 0.0971414 0.8148334), wk = 0.0035587 k( 274) = ( 0.1406250 0.1092840 0.8148334), wk = 0.0035587 k( 275) = ( 0.1562500 0.1214267 0.8148334), wk = 0.0035587 k( 276) = ( 0.1718750 0.1335694 0.8148334), wk = 0.0035587 k( 277) = ( 0.1875000 0.1457121 0.8148334), wk = 0.0035587 k( 278) = ( 0.2031250 0.1578547 0.8148334), wk = 0.0035587 k( 279) = ( 0.2187500 0.1699974 0.8148334), wk = 0.0035587 k( 280) = ( 0.2343750 0.1821401 0.8148334), wk = 0.0035587 k( 281) = ( 0.2500000 0.1942827 0.8148334), wk = 0.0035587 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0035587 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035587 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0035587 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035587 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035587 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035587 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0035587 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035587 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0035587 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035587 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0035587 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035587 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0035587 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035587 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035587 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035587 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0035587 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035587 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0035587 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035587 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0035587 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035587 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0035587 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035587 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035587 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035587 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0035587 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035587 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0035587 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035587 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0035587 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035587 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0035587 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035587 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035587 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035587 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0035587 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035587 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0035587 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 43) = ( -0.0125819 0.0125819 0.5000000), wk = 0.0035587 k( 44) = ( -0.0251639 0.0251638 0.5000000), wk = 0.0035587 k( 45) = ( -0.0377458 0.0377458 0.5000000), wk = 0.0035587 k( 46) = ( -0.0503277 0.0503277 0.5000000), wk = 0.0035587 k( 47) = ( -0.0629096 0.0629096 0.5000000), wk = 0.0035587 k( 48) = ( -0.0754916 0.0754916 0.5000000), wk = 0.0035587 k( 49) = ( -0.0880735 0.0880735 0.5000000), wk = 0.0035587 k( 50) = ( -0.1006554 0.1006554 0.5000000), wk = 0.0035587 k( 51) = ( -0.1132374 0.1132373 0.5000000), wk = 0.0035587 k( 52) = ( -0.1258193 0.1258193 0.5000000), wk = 0.0035587 k( 53) = ( -0.1384012 0.1384012 0.5000000), wk = 0.0035587 k( 54) = ( -0.1509831 0.1509831 0.5000000), wk = 0.0035587 k( 55) = ( -0.1509831 0.1509831 0.5000000), wk = 0.0035587 k( 56) = ( -0.1597086 0.1597086 0.4912746), wk = 0.0035587 k( 57) = ( -0.1684340 0.1684340 0.4825492), wk = 0.0035587 k( 58) = ( -0.1771594 0.1771594 0.4738237), wk = 0.0035587 k( 59) = ( -0.1858848 0.1858848 0.4650983), wk = 0.0035587 k( 60) = ( -0.1946102 0.1946102 0.4563729), wk = 0.0035587 k( 61) = ( -0.2033357 0.2033357 0.4476475), wk = 0.0035587 k( 62) = ( -0.2120611 0.2120611 0.4389221), wk = 0.0035587 k( 63) = ( -0.2207865 0.2207865 0.4301966), wk = 0.0035587 k( 64) = ( -0.2295119 0.2295119 0.4214712), wk = 0.0035587 k( 65) = ( -0.2382373 0.2382374 0.4127458), wk = 0.0035587 k( 66) = ( -0.2469628 0.2469628 0.4040204), wk = 0.0035587 k( 67) = ( -0.2556882 0.2556882 0.3952949), wk = 0.0035587 k( 68) = ( -0.2644136 0.2644136 0.3865695), wk = 0.0035587 k( 69) = ( -0.2731390 0.2731390 0.3778441), wk = 0.0035587 k( 70) = ( -0.2818644 0.2818644 0.3691187), wk = 0.0035587 k( 71) = ( -0.2905899 0.2905899 0.3603932), wk = 0.0035587 k( 72) = ( -0.2993153 0.2993153 0.3516678), wk = 0.0035587 k( 73) = ( -0.3080407 0.3080407 0.3429424), wk = 0.0035587 k( 74) = ( -0.3167661 0.3167661 0.3342170), wk = 0.0035587 k( 75) = ( -0.3254916 0.3254916 0.3254916), wk = 0.0035587 k( 76) = ( -0.3254916 0.3254916 0.3254916), wk = 0.0035587 k( 77) = ( -0.3166945 0.3166945 0.3166945), wk = 0.0035587 k( 78) = ( -0.3078974 0.3078974 0.3078974), wk = 0.0035587 k( 79) = ( -0.2991004 0.2991004 0.2991004), wk = 0.0035587 k( 80) = ( -0.2903033 0.2903033 0.2903033), wk = 0.0035587 k( 81) = ( -0.2815062 0.2815062 0.2815062), wk = 0.0035587 k( 82) = ( -0.2727092 0.2727092 0.2727092), wk = 0.0035587 k( 83) = ( -0.2639121 0.2639121 0.2639121), wk = 0.0035587 k( 84) = ( -0.2551150 0.2551150 0.2551150), wk = 0.0035587 k( 85) = ( -0.2463179 0.2463179 0.2463179), wk = 0.0035587 k( 86) = ( -0.2375209 0.2375209 0.2375209), wk = 0.0035587 k( 87) = ( -0.2287238 0.2287238 0.2287238), wk = 0.0035587 k( 88) = ( -0.2199267 0.2199267 0.2199267), wk = 0.0035587 k( 89) = ( -0.2111297 0.2111297 0.2111297), wk = 0.0035587 k( 90) = ( -0.2023326 0.2023326 0.2023326), wk = 0.0035587 k( 91) = ( -0.1935355 0.1935355 0.1935355), wk = 0.0035587 k( 92) = ( -0.1847385 0.1847385 0.1847385), wk = 0.0035587 k( 93) = ( -0.1759414 0.1759414 0.1759414), wk = 0.0035587 k( 94) = ( -0.1671443 0.1671443 0.1671443), wk = 0.0035587 k( 95) = ( -0.1583472 0.1583473 0.1583472), wk = 0.0035587 k( 96) = ( -0.1495502 0.1495502 0.1495502), wk = 0.0035587 k( 97) = ( -0.1407531 0.1407531 0.1407531), wk = 0.0035587 k( 98) = ( -0.1319560 0.1319560 0.1319560), wk = 0.0035587 k( 99) = ( -0.1231590 0.1231590 0.1231590), wk = 0.0035587 k( 100) = ( -0.1143619 0.1143619 0.1143619), wk = 0.0035587 k( 101) = ( -0.1055648 0.1055648 0.1055648), wk = 0.0035587 k( 102) = ( -0.0967678 0.0967678 0.0967678), wk = 0.0035587 k( 103) = ( -0.0879707 0.0879707 0.0879707), wk = 0.0035587 k( 104) = ( -0.0791736 0.0791736 0.0791736), wk = 0.0035587 k( 105) = ( -0.0703765 0.0703765 0.0703765), wk = 0.0035587 k( 106) = ( -0.0615795 0.0615795 0.0615795), wk = 0.0035587 k( 107) = ( -0.0527824 0.0527824 0.0527824), wk = 0.0035587 k( 108) = ( -0.0439853 0.0439853 0.0439853), wk = 0.0035587 k( 109) = ( -0.0351883 0.0351883 0.0351883), wk = 0.0035587 k( 110) = ( -0.0263912 0.0263912 0.0263912), wk = 0.0035587 k( 111) = ( -0.0175941 0.0175941 0.0175941), wk = 0.0035587 k( 112) = ( -0.0087971 0.0087971 0.0087971), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 115) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0035587 k( 116) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0035587 k( 117) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0035587 k( 118) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0035587 k( 119) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0035587 k( 120) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0035587 k( 121) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0035587 k( 122) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0035587 k( 123) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0035587 k( 124) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0035587 k( 125) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0035587 k( 126) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0035587 k( 127) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0035587 k( 128) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0035587 k( 129) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0035587 k( 130) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0035587 k( 131) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0035587 k( 132) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0035587 k( 133) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0035587 k( 134) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0035587 k( 135) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0035587 k( 136) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0035587 k( 137) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0035587 k( 138) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0035587 k( 139) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0035587 k( 140) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0035587 k( 141) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0035587 k( 142) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0035587 k( 143) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0035587 k( 144) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0035587 k( 145) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 146) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 147) = ( 0.4912746 0.5087254 -0.4912746), wk = 0.0035587 k( 148) = ( 0.4825492 0.5174508 -0.4825492), wk = 0.0035587 k( 149) = ( 0.4738237 0.5261763 -0.4738237), wk = 0.0035587 k( 150) = ( 0.4650983 0.5349017 -0.4650983), wk = 0.0035587 k( 151) = ( 0.4563729 0.5436271 -0.4563729), wk = 0.0035587 k( 152) = ( 0.4476475 0.5523525 -0.4476475), wk = 0.0035587 k( 153) = ( 0.4389221 0.5610780 -0.4389221), wk = 0.0035587 k( 154) = ( 0.4301966 0.5698034 -0.4301966), wk = 0.0035587 k( 155) = ( 0.4214712 0.5785288 -0.4214712), wk = 0.0035587 k( 156) = ( 0.4127458 0.5872542 -0.4127458), wk = 0.0035587 k( 157) = ( 0.4040204 0.5959796 -0.4040204), wk = 0.0035587 k( 158) = ( 0.3952949 0.6047051 -0.3952949), wk = 0.0035587 k( 159) = ( 0.3865695 0.6134305 -0.3865695), wk = 0.0035587 k( 160) = ( 0.3778441 0.6221559 -0.3778441), wk = 0.0035587 k( 161) = ( 0.3691187 0.6308813 -0.3691187), wk = 0.0035587 k( 162) = ( 0.3603932 0.6396068 -0.3603933), wk = 0.0035587 k( 163) = ( 0.3516678 0.6483322 -0.3516678), wk = 0.0035587 k( 164) = ( 0.3429424 0.6570576 -0.3429424), wk = 0.0035587 k( 165) = ( 0.3342170 0.6657830 -0.3342170), wk = 0.0035587 k( 166) = ( 0.3254916 0.6745084 -0.3254916), wk = 0.0035587 k( 167) = ( 0.3254916 0.6745084 -0.3254916), wk = 0.0035587 k( 168) = ( 0.3074087 0.6648135 -0.3074087), wk = 0.0035587 k( 169) = ( 0.2893258 0.6551186 -0.2893258), wk = 0.0035587 k( 170) = ( 0.2712430 0.6454237 -0.2712430), wk = 0.0035587 k( 171) = ( 0.2531601 0.6357288 -0.2531601), wk = 0.0035587 k( 172) = ( 0.2350772 0.6260339 -0.2350772), wk = 0.0035587 k( 173) = ( 0.2169944 0.6163390 -0.2169944), wk = 0.0035587 k( 174) = ( 0.1989115 0.6066440 -0.1989115), wk = 0.0035587 k( 175) = ( 0.1808287 0.5969491 -0.1808286), wk = 0.0035587 k( 176) = ( 0.1627458 0.5872542 -0.1627458), wk = 0.0035587 k( 177) = ( 0.1446629 0.5775593 -0.1446629), wk = 0.0035587 k( 178) = ( 0.1265800 0.5678644 -0.1265800), wk = 0.0035587 k( 179) = ( 0.1084972 0.5581695 -0.1084972), wk = 0.0035587 k( 180) = ( 0.0904143 0.5484746 -0.0904143), wk = 0.0035587 k( 181) = ( 0.0723315 0.5387797 -0.0723315), wk = 0.0035587 k( 182) = ( 0.0542486 0.5290847 -0.0542486), wk = 0.0035587 k( 183) = ( 0.0361657 0.5193898 -0.0361657), wk = 0.0035587 k( 184) = ( 0.0180829 0.5096949 -0.0180829), wk = 0.0035587 k( 185) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 186) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 187) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0035587 k( 188) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0035587 k( 189) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0035587 k( 190) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0035587 k( 191) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0035587 k( 192) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0035587 k( 193) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0035587 k( 194) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0035587 k( 195) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0035587 k( 196) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0035587 k( 197) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0035587 k( 198) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0035587 k( 199) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0035587 k( 200) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0035587 k( 201) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0035587 k( 202) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0035587 k( 203) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0035587 k( 204) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0035587 k( 205) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0035587 k( 206) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0035587 k( 207) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0035587 k( 208) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0035587 k( 209) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0035587 k( 210) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0035587 k( 211) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0035587 k( 212) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0035587 k( 213) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0035587 k( 214) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 k( 215) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 k( 216) = ( 0.2625000 0.2625000 0.2299508), wk = 0.0035587 k( 217) = ( 0.2750000 0.2750000 0.2099017), wk = 0.0035587 k( 218) = ( 0.2875000 0.2875000 0.1898525), wk = 0.0035587 k( 219) = ( 0.3000000 0.3000000 0.1698034), wk = 0.0035587 k( 220) = ( 0.3125000 0.3125000 0.1497542), wk = 0.0035587 k( 221) = ( 0.3250000 0.3250000 0.1297051), wk = 0.0035587 k( 222) = ( 0.3375000 0.3375000 0.1096559), wk = 0.0035587 k( 223) = ( 0.3500000 0.3500000 0.0896068), wk = 0.0035587 k( 224) = ( 0.3625000 0.3625000 0.0695576), wk = 0.0035587 k( 225) = ( 0.3750000 0.3750000 0.0495084), wk = 0.0035587 k( 226) = ( 0.3875000 0.3875000 0.0294593), wk = 0.0035587 k( 227) = ( 0.4000000 0.4000000 0.0094101), wk = 0.0035587 k( 228) = ( 0.4125000 0.4125000 -0.0106390), wk = 0.0035587 k( 229) = ( 0.4250000 0.4250000 -0.0306882), wk = 0.0035587 k( 230) = ( 0.4375000 0.4375000 -0.0507373), wk = 0.0035587 k( 231) = ( 0.4500000 0.4500000 -0.0707865), wk = 0.0035587 k( 232) = ( 0.4625000 0.4625000 -0.0908357), wk = 0.0035587 k( 233) = ( 0.4750000 0.4750000 -0.1108848), wk = 0.0035587 k( 234) = ( 0.4875000 0.4875000 -0.1309340), wk = 0.0035587 k( 235) = ( 0.5000000 0.5000000 -0.1509831), wk = 0.0035587 k( 236) = ( 0.5000000 0.5000000 -0.1509831), wk = 0.0035587 k( 237) = ( 0.5000000 0.5000000 -0.1634480), wk = 0.0035587 k( 238) = ( 0.5000000 0.5000000 -0.1759129), wk = 0.0035587 k( 239) = ( 0.5000000 0.5000000 -0.1883778), wk = 0.0035587 k( 240) = ( 0.5000000 0.5000000 -0.2008427), wk = 0.0035587 k( 241) = ( 0.5000000 0.5000000 -0.2133076), wk = 0.0035587 k( 242) = ( 0.5000000 0.5000000 -0.2257725), wk = 0.0035587 k( 243) = ( 0.5000000 0.5000000 -0.2382374), wk = 0.0035587 k( 244) = ( 0.5000000 0.5000000 -0.2507022), wk = 0.0035587 k( 245) = ( 0.5000000 0.5000000 -0.2631671), wk = 0.0035587 k( 246) = ( 0.5000000 0.5000000 -0.2756320), wk = 0.0035587 k( 247) = ( 0.5000000 0.5000000 -0.2880969), wk = 0.0035587 k( 248) = ( 0.5000000 0.5000000 -0.3005618), wk = 0.0035587 k( 249) = ( 0.5000000 0.5000000 -0.3130267), wk = 0.0035587 k( 250) = ( 0.5000000 0.5000000 -0.3254916), wk = 0.0035587 k( 251) = ( 0.5000000 0.5000000 -0.3379565), wk = 0.0035587 k( 252) = ( 0.5000000 0.5000000 -0.3504213), wk = 0.0035587 k( 253) = ( 0.5000000 0.5000000 -0.3628862), wk = 0.0035587 k( 254) = ( 0.5000000 0.5000000 -0.3753511), wk = 0.0035587 k( 255) = ( 0.5000000 0.5000000 -0.3878160), wk = 0.0035587 k( 256) = ( 0.5000000 0.5000000 -0.4002809), wk = 0.0035587 k( 257) = ( 0.5000000 0.5000000 -0.4127458), wk = 0.0035587 k( 258) = ( 0.5000000 0.5000000 -0.4252107), wk = 0.0035587 k( 259) = ( 0.5000000 0.5000000 -0.4376756), wk = 0.0035587 k( 260) = ( 0.5000000 0.5000000 -0.4501405), wk = 0.0035587 k( 261) = ( 0.5000000 0.5000000 -0.4626053), wk = 0.0035587 k( 262) = ( 0.5000000 0.5000000 -0.4750702), wk = 0.0035587 k( 263) = ( 0.5000000 0.5000000 -0.4875351), wk = 0.0035587 k( 264) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 265) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 266) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0035587 k( 267) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0035587 k( 268) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0035587 k( 269) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0035587 k( 270) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0035587 k( 271) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0035587 k( 272) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0035587 k( 273) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035587 k( 274) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0035587 k( 275) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0035587 k( 276) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0035587 k( 277) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0035587 k( 278) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0035587 k( 279) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0035587 k( 280) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0035587 k( 281) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 Dense grid: 69019 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 46927 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 346, 74) NL pseudopotentials 0.72 Mb ( 173, 272) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1919) G-vector shells 0.01 Mb ( 871) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.56 Mb ( 346, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.61 Mb ( 272, 2, 74) The potential is recalculated from file : ./FeAgS2.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.9 secs Computing kpt #: 7 total cpu time spent up to now is 11.0 secs Computing kpt #: 8 total cpu time spent up to now is 12.1 secs Computing kpt #: 9 total cpu time spent up to now is 13.2 secs Computing kpt #: 10 total cpu time spent up to now is 14.4 secs Computing kpt #: 11 total cpu time spent up to now is 15.5 secs Computing kpt #: 12 total cpu time spent up to now is 16.6 secs Computing kpt #: 13 total cpu time spent up to now is 17.7 secs Computing kpt #: 14 total cpu time spent up to now is 18.8 secs Computing kpt #: 15 total cpu time spent up to now is 19.9 secs Computing kpt #: 16 total cpu time spent up to now is 21.0 secs Computing kpt #: 17 total cpu time spent up to now is 22.1 secs Computing kpt #: 18 total cpu time spent up to now is 23.2 secs Computing kpt #: 19 total cpu time spent up to now is 24.3 secs Computing kpt #: 20 total cpu time spent up to now is 25.5 secs Computing kpt #: 21 total cpu time spent up to now is 26.6 secs Computing kpt #: 22 total cpu time spent up to now is 27.7 secs Computing kpt #: 23 total cpu time spent up to now is 28.9 secs Computing kpt #: 24 total cpu time spent up to now is 30.0 secs Computing kpt #: 25 total cpu time spent up to now is 31.2 secs Computing kpt #: 26 total cpu time spent up to now is 32.4 secs Computing kpt #: 27 total cpu time spent up to now is 33.5 secs Computing kpt #: 28 total cpu time spent up to now is 34.7 secs Computing kpt #: 29 total cpu time spent up to now is 35.9 secs Computing kpt #: 30 total cpu time spent up to now is 37.1 secs Computing kpt #: 31 total cpu time spent up to now is 38.3 secs Computing kpt #: 32 total cpu time spent up to now is 39.6 secs Computing kpt #: 33 total cpu time spent up to now is 40.8 secs Computing kpt #: 34 total cpu time spent up to now is 42.0 secs Computing kpt #: 35 total cpu time spent up to now is 43.3 secs Computing kpt #: 36 total cpu time spent up to now is 44.5 secs Computing kpt #: 37 total cpu time spent up to now is 45.8 secs Computing kpt #: 38 total cpu time spent up to now is 47.1 secs Computing kpt #: 39 total cpu time spent up to now is 48.4 secs Computing kpt #: 40 total cpu time spent up to now is 49.8 secs Computing kpt #: 41 total cpu time spent up to now is 51.3 secs Computing kpt #: 42 total cpu time spent up to now is 52.9 secs Computing kpt #: 43 total cpu time spent up to now is 54.5 secs Computing kpt #: 44 total cpu time spent up to now is 56.1 secs Computing kpt #: 45 total cpu time spent up to now is 57.7 secs Computing kpt #: 46 total cpu time spent up to now is 59.3 secs Computing kpt #: 47 total cpu time spent up to now is 60.8 secs Computing kpt #: 48 total cpu time spent up to now is 62.5 secs Computing kpt #: 49 total cpu time spent up to now is 64.4 secs Computing kpt #: 50 total cpu time spent up to now is 66.0 secs Computing kpt #: 51 total cpu time spent up to now is 67.7 secs Computing kpt #: 52 total cpu time spent up to now is 69.3 secs Computing kpt #: 53 total cpu time spent up to now is 71.0 secs Computing kpt #: 54 total cpu time spent up to now is 72.5 secs Computing kpt #: 55 total cpu time spent up to now is 74.1 secs Computing kpt #: 56 total cpu time spent up to now is 75.7 secs Computing kpt #: 57 total cpu time spent up to now is 77.2 secs Computing kpt #: 58 total cpu time spent up to now is 78.6 secs Computing kpt #: 59 total cpu time spent up to now is 80.1 secs Computing kpt #: 60 total cpu time spent up to now is 81.6 secs Computing kpt #: 61 total cpu time spent up to now is 83.0 secs Computing kpt #: 62 total cpu time spent up to now is 84.6 secs Computing kpt #: 63 total cpu time spent up to now is 86.0 secs Computing kpt #: 64 total cpu time spent up to now is 87.6 secs Computing kpt #: 65 total cpu time spent up to now is 89.1 secs Computing kpt #: 66 total cpu time spent up to now is 90.6 secs Computing kpt #: 67 total cpu time spent up to now is 92.1 secs Computing kpt #: 68 total cpu time spent up to now is 93.6 secs Computing kpt #: 69 total cpu time spent up to now is 95.1 secs Computing kpt #: 70 total cpu time spent up to now is 96.7 secs Computing kpt #: 71 total cpu time spent up to now is 98.3 secs Computing kpt #: 72 total cpu time spent up to now is 99.8 secs Computing kpt #: 73 total cpu time spent up to now is 101.3 secs Computing kpt #: 74 total cpu time spent up to now is 102.8 secs Computing kpt #: 75 total cpu time spent up to now is 104.4 secs Computing kpt #: 76 total cpu time spent up to now is 106.1 secs Computing kpt #: 77 total cpu time spent up to now is 107.6 secs Computing kpt #: 78 total cpu time spent up to now is 109.0 secs Computing kpt #: 79 total cpu time spent up to now is 110.5 secs Computing kpt #: 80 total cpu time spent up to now is 112.0 secs Computing kpt #: 81 total cpu time spent up to now is 113.4 secs Computing kpt #: 82 total cpu time spent up to now is 114.8 secs Computing kpt #: 83 total cpu time spent up to now is 116.1 secs Computing kpt #: 84 total cpu time spent up to now is 117.4 secs Computing kpt #: 85 total cpu time spent up to now is 118.6 secs Computing kpt #: 86 total cpu time spent up to now is 119.8 secs Computing kpt #: 87 total cpu time spent up to now is 121.1 secs Computing kpt #: 88 total cpu time spent up to now is 122.3 secs Computing kpt #: 89 total cpu time spent up to now is 123.5 secs Computing kpt #: 90 total cpu time spent up to now is 124.7 secs Computing kpt #: 91 total cpu time spent up to now is 125.9 secs Computing kpt #: 92 total cpu time spent up to now is 127.1 secs Computing kpt #: 93 total cpu time spent up to now is 128.3 secs Computing kpt #: 94 total cpu time spent up to now is 129.5 secs Computing kpt #: 95 total cpu time spent up to now is 130.6 secs Computing kpt #: 96 total cpu time spent up to now is 131.7 secs Computing kpt #: 97 total cpu time spent up to now is 132.8 secs Computing kpt #: 98 total cpu time spent up to now is 134.0 secs Computing kpt #: 99 total cpu time spent up to now is 135.1 secs Computing kpt #: 100 total cpu time spent up to now is 136.3 secs Computing kpt #: 101 total cpu time spent up to now is 137.4 secs Computing kpt #: 102 total cpu time spent up to now is 138.5 secs Computing kpt #: 103 total cpu time spent up to now is 139.7 secs Computing kpt #: 104 total cpu time spent up to now is 141.1 secs Computing kpt #: 105 total cpu time spent up to now is 142.2 secs Computing kpt #: 106 total cpu time spent up to now is 143.3 secs Computing kpt #: 107 total cpu time spent up to now is 144.5 secs Computing kpt #: 108 total cpu time spent up to now is 145.6 secs Computing kpt #: 109 total cpu time spent up to now is 146.7 secs Computing kpt #: 110 total cpu time spent up to now is 147.8 secs Computing kpt #: 111 total cpu time spent up to now is 148.9 secs Computing kpt #: 112 total cpu time spent up to now is 150.1 secs Computing kpt #: 113 total cpu time spent up to now is 151.2 secs Computing kpt #: 114 total cpu time spent up to now is 152.3 secs Computing kpt #: 115 total cpu time spent up to now is 153.4 secs Computing kpt #: 116 total cpu time spent up to now is 154.5 secs Computing kpt #: 117 total cpu time spent up to now is 155.7 secs Computing kpt #: 118 total cpu time spent up to now is 156.8 secs Computing kpt #: 119 total cpu time spent up to now is 157.9 secs Computing kpt #: 120 total cpu time spent up to now is 159.0 secs Computing kpt #: 121 total cpu time spent up to now is 160.1 secs Computing kpt #: 122 total cpu time spent up to now is 161.3 secs Computing kpt #: 123 total cpu time spent up to now is 162.4 secs Computing kpt #: 124 total cpu time spent up to now is 163.5 secs Computing kpt #: 125 total cpu time spent up to now is 164.6 secs Computing kpt #: 126 total cpu time spent up to now is 165.8 secs Computing kpt #: 127 total cpu time spent up to now is 166.9 secs Computing kpt #: 128 total cpu time spent up to now is 168.1 secs Computing kpt #: 129 total cpu time spent up to now is 169.2 secs Computing kpt #: 130 total cpu time spent up to now is 170.4 secs Computing kpt #: 131 total cpu time spent up to now is 171.6 secs Computing kpt #: 132 total cpu time spent up to now is 172.7 secs Computing kpt #: 133 total cpu time spent up to now is 173.9 secs Computing kpt #: 134 total cpu time spent up to now is 175.1 secs Computing kpt #: 135 total cpu time spent up to now is 176.3 secs Computing kpt #: 136 total cpu time spent up to now is 177.6 secs Computing kpt #: 137 total cpu time spent up to now is 178.8 secs Computing kpt #: 138 total cpu time spent up to now is 180.0 secs Computing kpt #: 139 total cpu time spent up to now is 181.2 secs Computing kpt #: 140 total cpu time spent up to now is 182.5 secs Computing kpt #: 141 total cpu time spent up to now is 183.8 secs Computing kpt #: 142 total cpu time spent up to now is 185.1 secs Computing kpt #: 143 total cpu time spent up to now is 186.6 secs Computing kpt #: 144 total cpu time spent up to now is 188.1 secs Computing kpt #: 145 total cpu time spent up to now is 189.4 secs Computing kpt #: 146 total cpu time spent up to now is 190.6 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.9 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.4 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.8 secs Computing kpt #: 150 total cpu time spent up to now is 202.7 secs Computing kpt #: 151 total cpu time spent up to now is 205.1 secs Computing kpt #: 152 total cpu time spent up to now is 206.8 secs Computing kpt #: 153 total cpu time spent up to now is 208.5 secs Computing kpt #: 154 total cpu time spent up to now is 210.3 secs Computing kpt #: 155 total cpu time spent up to now is 212.0 secs Computing kpt #: 156 total cpu time spent up to now is 213.9 secs Computing kpt #: 157 total cpu time spent up to now is 215.8 secs Computing kpt #: 158 total cpu time spent up to now is 217.7 secs Computing kpt #: 159 total cpu time spent up to now is 219.5 secs Computing kpt #: 160 total cpu time spent up to now is 221.2 secs Computing kpt #: 161 total cpu time spent up to now is 222.9 secs Computing kpt #: 162 total cpu time spent up to now is 224.6 secs Computing kpt #: 163 total cpu time spent up to now is 226.3 secs Computing kpt #: 164 total cpu time spent up to now is 227.9 secs Computing kpt #: 165 total cpu time spent up to now is 229.4 secs Computing kpt #: 166 total cpu time spent up to now is 231.0 secs Computing kpt #: 167 total cpu time spent up to now is 232.5 secs Computing kpt #: 168 total cpu time spent up to now is 234.0 secs Computing kpt #: 169 total cpu time spent up to now is 235.5 secs Computing kpt #: 170 total cpu time spent up to now is 237.0 secs Computing kpt #: 171 total cpu time spent up to now is 238.5 secs Computing kpt #: 172 total cpu time spent up to now is 240.1 secs Computing kpt #: 173 total cpu time spent up to now is 241.6 secs Computing kpt #: 174 total cpu time spent up to now is 243.0 secs Computing kpt #: 175 total cpu time spent up to now is 244.5 secs Computing kpt #: 176 total cpu time spent up to now is 246.0 secs Computing kpt #: 177 total cpu time spent up to now is 247.5 secs Computing kpt #: 178 total cpu time spent up to now is 248.9 secs Computing kpt #: 179 total cpu time spent up to now is 250.4 secs Computing kpt #: 180 total cpu time spent up to now is 251.9 secs Computing kpt #: 181 total cpu time spent up to now is 253.3 secs Computing kpt #: 182 total cpu time spent up to now is 254.7 secs Computing kpt #: 183 total cpu time spent up to now is 256.0 secs Computing kpt #: 184 total cpu time spent up to now is 257.3 secs Computing kpt #: 185 total cpu time spent up to now is 258.7 secs Computing kpt #: 186 total cpu time spent up to now is 259.9 secs Computing kpt #: 187 total cpu time spent up to now is 261.2 secs Computing kpt #: 188 total cpu time spent up to now is 262.5 secs Computing kpt #: 189 total cpu time spent up to now is 263.7 secs Computing kpt #: 190 total cpu time spent up to now is 264.9 secs Computing kpt #: 191 total cpu time spent up to now is 266.1 secs Computing kpt #: 192 total cpu time spent up to now is 267.4 secs Computing kpt #: 193 total cpu time spent up to now is 268.6 secs Computing kpt #: 194 total cpu time spent up to now is 269.8 secs Computing kpt #: 195 total cpu time spent up to now is 271.1 secs Computing kpt #: 196 total cpu time spent up to now is 272.3 secs Computing kpt #: 197 total cpu time spent up to now is 273.6 secs Computing kpt #: 198 total cpu time spent up to now is 274.8 secs Computing kpt #: 199 total cpu time spent up to now is 276.1 secs Computing kpt #: 200 total cpu time spent up to now is 277.3 secs Computing kpt #: 201 total cpu time spent up to now is 278.5 secs Computing kpt #: 202 total cpu time spent up to now is 279.7 secs Computing kpt #: 203 total cpu time spent up to now is 281.0 secs Computing kpt #: 204 total cpu time spent up to now is 282.3 secs Computing kpt #: 205 total cpu time spent up to now is 283.5 secs Computing kpt #: 206 total cpu time spent up to now is 284.7 secs Computing kpt #: 207 total cpu time spent up to now is 285.9 secs Computing kpt #: 208 total cpu time spent up to now is 287.1 secs Computing kpt #: 209 total cpu time spent up to now is 288.4 secs Computing kpt #: 210 total cpu time spent up to now is 289.7 secs Computing kpt #: 211 total cpu time spent up to now is 290.9 secs Computing kpt #: 212 total cpu time spent up to now is 292.2 secs Computing kpt #: 213 total cpu time spent up to now is 293.7 secs Computing kpt #: 214 total cpu time spent up to now is 295.2 secs Computing kpt #: 215 total cpu time spent up to now is 296.7 secs Computing kpt #: 216 total cpu time spent up to now is 298.2 secs Computing kpt #: 217 total cpu time spent up to now is 299.6 secs Computing kpt #: 218 total cpu time spent up to now is 301.1 secs Computing kpt #: 219 total cpu time spent up to now is 302.4 secs Computing kpt #: 220 total cpu time spent up to now is 303.7 secs Computing kpt #: 221 total cpu time spent up to now is 305.0 secs Computing kpt #: 222 total cpu time spent up to now is 306.3 secs Computing kpt #: 223 total cpu time spent up to now is 307.6 secs Computing kpt #: 224 total cpu time spent up to now is 308.9 secs Computing kpt #: 225 total cpu time spent up to now is 310.1 secs Computing kpt #: 226 total cpu time spent up to now is 311.4 secs Computing kpt #: 227 total cpu time spent up to now is 312.7 secs Computing kpt #: 228 total cpu time spent up to now is 314.0 secs Computing kpt #: 229 total cpu time spent up to now is 315.3 secs Computing kpt #: 230 total cpu time spent up to now is 316.5 secs Computing kpt #: 231 total cpu time spent up to now is 318.0 secs Computing kpt #: 232 total cpu time spent up to now is 319.3 secs Computing kpt #: 233 total cpu time spent up to now is 320.8 secs Computing kpt #: 234 total cpu time spent up to now is 322.3 secs Computing kpt #: 235 total cpu time spent up to now is 323.8 secs Computing kpt #: 236 total cpu time spent up to now is 325.4 secs Computing kpt #: 237 total cpu time spent up to now is 326.9 secs Computing kpt #: 238 total cpu time spent up to now is 328.5 secs Computing kpt #: 239 total cpu time spent up to now is 330.1 secs Computing kpt #: 240 total cpu time spent up to now is 331.6 secs Computing kpt #: 241 total cpu time spent up to now is 333.1 secs Computing kpt #: 242 total cpu time spent up to now is 334.7 secs Computing kpt #: 243 total cpu time spent up to now is 336.2 secs Computing kpt #: 244 total cpu time spent up to now is 337.8 secs Computing kpt #: 245 total cpu time spent up to now is 339.3 secs Computing kpt #: 246 total cpu time spent up to now is 340.9 secs Computing kpt #: 247 total cpu time spent up to now is 342.4 secs Computing kpt #: 248 total cpu time spent up to now is 344.1 secs Computing kpt #: 249 total cpu time spent up to now is 345.8 secs Computing kpt #: 250 total cpu time spent up to now is 347.6 secs Computing kpt #: 251 total cpu time spent up to now is 349.4 secs Computing kpt #: 252 total cpu time spent up to now is 351.1 secs Computing kpt #: 253 total cpu time spent up to now is 353.0 secs Computing kpt #: 254 total cpu time spent up to now is 355.0 secs Computing kpt #: 255 total cpu time spent up to now is 356.9 secs Computing kpt #: 256 total cpu time spent up to now is 359.5 secs Computing kpt #: 257 total cpu time spent up to now is 362.2 secs Computing kpt #: 258 total cpu time spent up to now is 364.5 secs Computing kpt #: 259 total cpu time spent up to now is 366.5 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 369.8 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 373.1 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 376.5 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 379.8 secs Computing kpt #: 264 total cpu time spent up to now is 381.1 secs Computing kpt #: 265 total cpu time spent up to now is 382.7 secs Computing kpt #: 266 total cpu time spent up to now is 384.3 secs Computing kpt #: 267 total cpu time spent up to now is 385.9 secs Computing kpt #: 268 total cpu time spent up to now is 387.4 secs Computing kpt #: 269 total cpu time spent up to now is 388.9 secs Computing kpt #: 270 total cpu time spent up to now is 390.6 secs Computing kpt #: 271 total cpu time spent up to now is 392.1 secs Computing kpt #: 272 total cpu time spent up to now is 393.7 secs Computing kpt #: 273 total cpu time spent up to now is 395.3 secs Computing kpt #: 274 total cpu time spent up to now is 396.8 secs Computing kpt #: 275 total cpu time spent up to now is 398.4 secs Computing kpt #: 276 total cpu time spent up to now is 400.0 secs Computing kpt #: 277 total cpu time spent up to now is 401.5 secs Computing kpt #: 278 total cpu time spent up to now is 403.0 secs Computing kpt #: 279 total cpu time spent up to now is 404.6 secs Computing kpt #: 280 total cpu time spent up to now is 406.1 secs Computing kpt #: 281 total cpu time spent up to now is 407.7 secs ethr = 1.61E-08, avg # of iterations = 24.9 total cpu time spent up to now is 407.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5881 PWs) bands (ev): -7.0981 -7.0981 -6.1480 -6.1480 -6.1369 -6.1369 -6.0831 -6.0831 1.0897 1.0897 1.2939 1.2939 1.5093 1.5093 1.6656 1.6656 1.7905 1.7905 2.0320 2.0320 2.0868 2.0868 2.1673 2.1673 2.2216 2.2216 2.3046 2.3046 2.7406 2.7406 2.9262 2.9262 3.0337 3.0337 3.0512 3.0512 3.4155 3.4155 3.4856 3.4856 3.8977 3.8977 4.0441 4.0441 4.0459 4.0459 4.4631 4.4631 4.5202 4.5202 4.6547 4.6547 5.4730 5.4730 5.7459 5.7459 6.0103 6.0103 6.0967 6.0967 6.1335 6.1335 6.3856 6.3856 6.5780 6.5780 8.2846 8.2846 8.2975 8.2975 8.3989 8.3989 8.6781 8.6781 k = 0.0000 0.0000 0.0204 ( 5893 PWs) bands (ev): -7.0975 -7.0975 -6.1483 -6.1483 -6.1372 -6.1372 -6.0834 -6.0829 1.0905 1.0908 1.2925 1.2960 1.5086 1.5108 1.6646 1.6655 1.7857 1.7945 2.0237 2.0385 2.0672 2.0973 2.1555 2.1733 2.2187 2.2323 2.3080 2.3099 2.7381 2.7424 2.9153 2.9326 3.0190 3.0435 3.0528 3.0534 3.4134 3.4167 3.4824 3.4905 3.8956 3.8957 4.0433 4.0439 4.0467 4.0489 4.4603 4.4612 4.5105 4.5305 4.6491 4.6682 5.4735 5.4747 5.7458 5.7473 6.0006 6.0180 6.0917 6.0979 6.1261 6.1458 6.3836 6.3904 6.5780 6.5801 8.2739 8.2800 8.2901 8.2935 8.3960 8.3982 8.6902 8.6929 k = 0.0000 0.0000 0.0407 ( 5879 PWs) bands (ev): -7.0957 -7.0957 -6.1493 -6.1493 -6.1382 -6.1382 -6.0838 -6.0828 1.0932 1.0937 1.2920 1.2990 1.5087 1.5132 1.6620 1.6643 1.7808 1.7972 2.0145 2.0334 2.0545 2.0894 2.1509 2.1678 2.2219 2.2503 2.3177 2.3243 2.7350 2.7437 2.9013 2.9329 3.0048 3.0393 3.0549 3.0670 3.4106 3.4172 3.4810 3.4965 3.8898 3.8907 4.0400 4.0403 4.0530 4.0574 4.4540 4.4554 4.5017 4.5387 4.6534 4.6881 5.4764 5.4788 5.7470 5.7500 5.9904 6.0223 6.0829 6.0967 6.1257 6.1603 6.3848 6.3980 6.5800 6.5844 8.2392 8.2510 8.2853 8.2904 8.3895 8.3928 8.7256 8.7299 k = 0.0000 0.0000 0.0611 ( 5871 PWs) bands (ev): -7.0928 -7.0927 -6.1509 -6.1509 -6.1399 -6.1399 -6.0843 -6.0827 1.0977 1.0984 1.2923 1.3029 1.5095 1.5163 1.6579 1.6621 1.7761 1.7984 2.0037 2.0097 2.0572 2.0686 2.1505 2.1558 2.2324 2.2703 2.3306 2.3458 2.7311 2.7447 2.8852 2.9264 2.9914 3.0300 3.0586 3.0818 3.4071 3.4168 3.4815 3.5031 3.8808 3.8836 4.0344 4.0348 4.0636 4.0688 4.4459 4.4471 4.4930 4.5422 4.6689 4.7137 5.4817 5.4850 5.7495 5.7539 5.9807 6.0222 6.0724 6.0935 6.1316 6.1755 6.3892 6.4080 6.5841 6.5906 8.1908 8.2057 8.2809 8.2885 8.3787 8.3826 8.7767 8.7814 k = 0.0000 0.0000 0.0815 ( 5871 PWs) bands (ev): -7.0886 -7.0885 -6.1533 -6.1531 -6.1422 -6.1421 -6.0849 -6.0828 1.1041 1.1050 1.2934 1.3075 1.5111 1.5202 1.6519 1.6590 1.7721 1.7978 1.9826 1.9905 2.0445 2.0594 2.1430 2.1490 2.2480 2.2891 2.3445 2.3724 2.7264 2.7454 2.8676 2.9142 2.9782 3.0173 3.0645 3.0960 3.4028 3.4157 3.4838 3.5097 3.8698 3.8757 4.0274 4.0278 4.0767 4.0814 4.4367 4.4373 4.4847 4.5415 4.6943 4.7441 5.4891 5.4931 5.7534 5.7590 5.9721 6.0178 6.0621 6.0885 6.1419 6.1906 6.3965 6.4199 6.5902 6.5990 8.1356 8.1525 8.2755 8.2859 8.3634 8.3679 8.8372 8.8417 k = 0.0000 0.0000 0.1019 ( 5875 PWs) bands (ev): -7.0834 -7.0832 -6.1562 -6.1560 -6.1451 -6.1449 -6.0856 -6.0830 1.1122 1.1134 1.2953 1.3129 1.5132 1.5248 1.6442 1.6550 1.7690 1.7954 1.9550 1.9743 2.0210 2.0558 2.1340 2.1478 2.2655 2.3062 2.3578 2.4017 2.7208 2.7463 2.8490 2.8982 2.9646 3.0017 3.0719 3.1093 3.3978 3.4137 3.4877 3.5160 3.8574 3.8675 4.0198 4.0200 4.0909 4.0936 4.4262 4.4270 4.4785 4.5393 4.7266 4.7782 5.4985 5.5028 5.7586 5.7653 5.9652 6.0102 6.0530 6.0821 6.1550 6.2051 6.4062 6.4334 6.5983 6.6093 8.0769 8.0953 8.2689 8.2824 8.3437 8.3491 8.9037 8.9075 k = 0.0000 0.0000 0.1222 ( 5867 PWs) bands (ev): -7.0769 -7.0768 -6.1598 -6.1594 -6.1487 -6.1483 -6.0865 -6.0834 1.1222 1.1236 1.2980 1.3191 1.5159 1.5300 1.6351 1.6501 1.7670 1.7913 1.9278 1.9551 1.9990 2.0444 2.1316 2.1481 2.2826 2.3214 2.3697 2.4318 2.7146 2.7476 2.8298 2.8801 2.9506 2.9837 3.0803 3.1217 3.3920 3.4110 3.4929 3.5214 3.8441 3.8596 4.0120 4.0121 4.1037 4.1045 4.4142 4.4172 4.4759 4.5379 4.7635 4.8154 5.5099 5.5140 5.7651 5.7729 5.9602 6.0004 6.0456 6.0749 6.1698 6.2187 6.4183 6.4482 6.6084 6.6216 8.0166 8.0362 8.2607 8.2777 8.3198 8.3267 8.9741 8.9770 k = 0.0000 0.0000 0.1426 ( 5867 PWs) bands (ev): -7.0694 -7.0692 -6.1641 -6.1635 -6.1527 -6.1522 -6.0875 -6.0840 1.1338 1.1355 1.3013 1.3259 1.5188 1.5358 1.6249 1.6443 1.7658 1.7856 1.9014 1.9340 1.9782 2.0264 2.1346 2.1506 2.2979 2.3349 2.3791 2.4611 2.7080 2.7498 2.8102 2.8609 2.9365 2.9643 3.0890 3.1328 3.3856 3.4073 3.4991 3.5257 3.8298 3.8520 4.0043 4.0052 4.1104 4.1163 4.4022 4.4093 4.4772 4.5385 4.8032 4.8546 5.5227 5.5263 5.7731 5.7815 5.9572 5.9894 6.0402 6.0672 6.1856 6.2313 6.4322 6.4641 6.6204 6.6358 7.9558 7.9764 8.2499 8.2720 8.2918 8.3019 9.0474 9.0492 k = 0.0000 0.0000 0.1630 ( 5867 PWs) bands (ev): -7.0607 -7.0605 -6.1689 -6.1681 -6.1573 -6.1565 -6.0888 -6.0847 1.1472 1.1491 1.3054 1.3334 1.5217 1.5421 1.6141 1.6376 1.7650 1.7783 1.8761 1.9126 1.9579 2.0046 2.1407 2.1549 2.3109 2.3465 2.3853 2.4877 2.7016 2.7532 2.7905 2.8414 2.9226 2.9439 3.0976 3.1428 3.3786 3.4027 3.5059 3.5287 3.8145 3.8446 3.9976 3.9994 4.1127 4.1249 4.3924 4.4048 4.4819 4.5419 4.8447 4.8952 5.5369 5.5396 5.7823 5.7911 5.9563 5.9778 6.0367 6.0599 6.2018 6.2429 6.4474 6.4808 6.6342 6.6517 7.8952 7.9166 8.2346 8.2601 8.2653 8.2768 9.1229 9.1236 k = 0.0000 0.0000 0.1833 ( 5873 PWs) bands (ev): -7.0510 -7.0507 -6.1743 -6.1733 -6.1623 -6.1613 -6.0902 -6.0857 1.1622 1.1643 1.3100 1.3415 1.5240 1.5487 1.6035 1.6300 1.7639 1.7694 1.8527 1.8924 1.9377 1.9809 2.1481 2.1606 2.3212 2.3564 2.3878 2.5094 2.6968 2.7581 2.7711 2.8221 2.9092 2.9234 3.1058 3.1515 3.3712 3.3971 3.5131 3.5304 3.7983 3.8372 3.9919 3.9953 4.1105 4.1297 4.3868 4.4048 4.4894 4.5481 4.8869 4.9365 5.5523 5.5536 5.7926 5.8013 5.9574 5.9666 6.0351 6.0535 6.2183 6.2536 6.4638 6.4983 6.6497 6.6693 7.8352 7.8572 8.2110 8.2249 8.2554 8.2573 9.1997 9.2001 k = 0.0000 0.0000 0.2037 ( 5879 PWs) bands (ev): -7.0402 -7.0398 -6.1803 -6.1790 -6.1678 -6.1665 -6.0919 -6.0869 1.1787 1.1811 1.3153 1.3502 1.5250 1.5554 1.5941 1.6217 1.7590 1.7615 1.8323 1.8740 1.9177 1.9563 2.1558 2.1670 2.3286 2.3643 2.3864 2.5235 2.6954 2.7521 2.7639 2.8035 2.8965 2.9032 3.1136 3.1588 3.3635 3.3904 3.5204 3.5306 3.7810 3.8293 3.9878 3.9929 4.1049 4.1303 4.3867 4.4097 4.4993 4.5569 4.9293 4.9777 5.5681 5.5684 5.8035 5.8118 5.9565 5.9605 6.0354 6.0489 6.2352 6.2634 6.4811 6.5162 6.6668 6.6882 7.7763 7.7987 8.1787 8.1865 8.2386 8.2482 9.2773 9.2788 k = 0.0000 0.0000 0.2241 ( 5881 PWs) bands (ev): -7.0283 -7.0279 -6.1867 -6.1852 -6.1736 -6.1720 -6.0938 -6.0884 1.1967 1.1994 1.3210 1.3593 1.5236 1.5620 1.5869 1.6127 1.7469 1.7559 1.8166 1.8579 1.8983 1.9315 2.1633 2.1733 2.3331 2.3702 2.3815 2.5277 2.6988 2.7342 2.7686 2.7874 2.8835 2.8848 3.1209 3.1649 3.3558 3.3825 3.5278 3.5296 3.7630 3.8206 3.9852 3.9923 4.0979 4.1281 4.3919 4.4189 4.5112 4.5681 4.9710 5.0183 5.5829 5.5852 5.8141 5.8217 5.9488 5.9657 6.0372 6.0468 6.2527 6.2728 6.4989 6.5345 6.6853 6.7084 7.7189 7.7415 8.1404 8.1452 8.2237 8.2380 9.3562 9.3588 k = 0.0000 0.0000 0.2445 ( 5885 PWs) bands (ev): -7.0155 -7.0150 -6.1937 -6.1918 -6.1797 -6.1779 -6.0960 -6.0902 1.2161 1.2191 1.3273 1.3690 1.5189 1.5677 1.5829 1.6035 1.7335 1.7457 1.8067 1.8438 1.8803 1.9074 2.1703 2.1789 2.3348 2.3738 2.3742 2.5215 2.7038 2.7205 2.7618 2.7831 2.8642 2.8744 3.1279 3.1695 3.3484 3.3734 3.5275 3.5349 3.7446 3.8109 3.9844 3.9936 4.0915 4.1246 4.4015 4.4312 4.5247 4.5814 5.0115 5.0578 5.5979 5.6025 5.8228 5.8302 5.9452 5.9734 6.0405 6.0477 6.2711 6.2821 6.5172 6.5531 6.7051 6.7297 7.6631 7.6858 8.0984 8.1014 8.2090 8.2265 9.4361 9.4398 k = 0.0000 0.0000 0.2648 ( 5881 PWs) bands (ev): -7.0017 -7.0011 -6.2010 -6.1989 -6.1860 -6.1840 -6.0985 -6.0923 1.2367 1.2400 1.3339 1.3790 1.5110 1.5713 1.5818 1.5952 1.7191 1.7320 1.8012 1.8309 1.8647 1.8849 2.1764 2.1828 2.3336 2.3647 2.3762 2.5070 2.6947 2.7248 2.7466 2.7852 2.8454 2.8665 3.1345 3.1726 3.3416 3.3630 3.5245 3.5419 3.7265 3.8003 3.9853 3.9967 4.0877 4.1214 4.4142 4.4458 4.5396 4.5966 5.0504 5.0956 5.6128 5.6200 5.8278 5.8361 5.9480 5.9842 6.0450 6.0520 6.2906 6.2918 6.5357 6.5717 6.7260 6.7520 7.6095 7.6320 8.0536 8.0555 8.1938 8.2139 9.5170 9.5217 k = 0.0000 0.0000 0.2852 ( 5880 PWs) bands (ev): -6.9871 -6.9864 -6.2088 -6.2065 -6.1926 -6.1903 -6.1013 -6.0948 1.2584 1.2619 1.3411 1.3894 1.5008 1.5696 1.5821 1.5905 1.7044 1.7174 1.7967 1.8178 1.8527 1.8655 2.1815 2.1842 2.3293 2.3559 2.3762 2.4863 2.6795 2.7309 2.7365 2.7827 2.8268 2.8627 3.1411 3.1742 3.3355 3.3515 3.5210 3.5486 3.7096 3.7892 3.9879 4.0013 4.0875 4.1201 4.4289 4.4617 4.5556 4.6133 5.0872 5.1314 5.6276 5.6377 5.8278 5.8388 5.9582 5.9989 6.0506 6.0592 6.3024 6.3117 6.5542 6.5902 6.7479 6.7749 7.5583 7.5805 8.0069 8.0078 8.1777 8.2000 9.5986 9.6042 k = 0.0000 0.0000 0.3056 ( 5872 PWs) bands (ev): -6.9715 -6.9707 -6.2169 -6.2144 -6.1993 -6.1968 -6.1044 -6.0976 1.2809 1.2845 1.3486 1.4001 1.4895 1.5617 1.5823 1.5900 1.6902 1.7039 1.7895 1.8043 1.8447 1.8518 2.1824 2.1852 2.3220 2.3489 2.3745 2.4617 2.6644 2.7157 2.7467 2.7726 2.8090 2.8640 3.1475 3.1741 3.3304 3.3391 3.5174 3.5552 3.6946 3.7783 3.9920 4.0073 4.0914 4.1215 4.4446 4.4783 4.5725 4.6312 5.1215 5.1647 5.6420 5.6553 5.8235 5.8381 5.9750 6.0176 6.0572 6.0684 6.3148 6.3347 6.5726 6.6083 6.7706 6.7985 7.5099 7.5316 7.9586 7.9589 8.1606 8.1849 9.6807 9.6871 k = 0.0000 0.0000 0.3259 ( 5868 PWs) bands (ev): -6.9551 -6.9542 -6.2252 -6.2226 -6.2061 -6.2035 -6.1079 -6.1008 1.3039 1.3074 1.3569 1.4111 1.4777 1.5511 1.5808 1.5899 1.6769 1.6930 1.7776 1.7915 1.8400 1.8453 2.1768 2.1874 2.3124 2.3440 2.3710 2.4345 2.6498 2.7010 2.7502 2.7551 2.7949 2.8689 3.1541 3.1723 3.3259 3.3265 3.5140 3.5619 3.6825 3.7683 3.9973 4.0144 4.0995 4.1260 4.4608 4.4951 4.5898 4.6499 5.1529 5.1952 5.6558 5.6728 5.8162 5.8346 5.9961 6.0399 6.0654 6.0789 6.3295 6.3599 6.5906 6.6258 6.7939 6.8225 7.4648 7.4857 7.9091 7.9094 8.1424 8.1685 9.7631 9.7700 k = 0.0000 0.0000 0.3463 ( 5860 PWs) bands (ev): -6.9379 -6.9369 -6.2339 -6.2312 -6.2130 -6.2103 -6.1118 -6.1044 1.3269 1.3295 1.3664 1.4226 1.4658 1.5394 1.5765 1.5882 1.6647 1.6858 1.7625 1.7803 1.8375 1.8446 2.1676 2.1877 2.3016 2.3411 2.3657 2.4063 2.6359 2.6867 2.7317 2.7401 2.7905 2.8755 3.1609 3.1687 3.3124 3.3239 3.5111 3.5687 3.6735 3.7598 4.0038 4.0225 4.1115 4.1340 4.4770 4.5119 4.6074 4.6693 5.1813 5.2228 5.6690 5.6900 5.8074 5.8289 6.0181 6.0648 6.0769 6.0902 6.3473 6.3876 6.6082 6.6426 6.8178 6.8469 7.4233 7.4432 7.8590 7.8596 8.1232 8.1509 9.8453 9.8528 k = 0.0000 0.0000 0.3667 ( 5872 PWs) bands (ev): -6.9201 -6.9189 -6.2427 -6.2400 -6.2199 -6.2171 -6.1161 -6.1084 1.3486 1.3492 1.3787 1.4348 1.4543 1.5274 1.5690 1.5846 1.6535 1.6817 1.7475 1.7717 1.8367 1.8473 2.1554 2.1856 2.2900 2.3395 2.3573 2.3795 2.6225 2.6721 2.7036 2.7186 2.7934 2.8825 3.1633 3.1680 3.2987 3.3228 3.5088 3.5758 3.6680 3.7533 4.0110 4.0313 4.1271 4.1454 4.4929 4.5283 4.6249 4.6890 5.2064 5.2471 5.6812 5.7069 5.7980 5.8217 6.0370 6.0882 6.0946 6.1048 6.3687 6.4177 6.6251 6.6583 6.8420 6.8713 7.3858 7.4044 7.8090 7.8099 8.1029 8.1321 9.9270 9.9349 k = 0.0000 0.0000 0.3870 ( 5864 PWs) bands (ev): -6.9015 -6.9001 -6.2518 -6.2490 -6.2268 -6.2239 -6.1207 -6.1129 1.3624 1.3696 1.3955 1.4432 1.4483 1.5153 1.5589 1.5801 1.6428 1.6793 1.7353 1.7661 1.8372 1.8519 2.1414 2.1809 2.2778 2.3389 2.3391 2.3617 2.6096 2.6546 2.6743 2.6917 2.7977 2.8892 3.1561 3.1755 3.2851 3.3232 3.5074 3.5833 3.6661 3.7490 4.0189 4.0407 4.1459 4.1603 4.5083 4.5444 4.6422 4.7086 5.2280 5.2682 5.6923 5.7234 5.7889 5.8137 6.0503 6.1018 6.1202 6.1300 6.3942 6.4503 6.6412 6.6729 6.8664 6.8959 7.3527 7.3699 7.7598 7.7608 8.0814 8.1121 10.0078 10.0158 k = 0.0000 0.0000 0.4074 ( 5876 PWs) bands (ev): -6.8823 -6.8808 -6.2609 -6.2581 -6.2336 -6.2307 -6.1259 -6.1179 1.3718 1.3869 1.4143 1.4331 1.4633 1.5034 1.5474 1.5762 1.6324 1.6759 1.7286 1.7630 1.8387 1.8575 2.1267 2.1729 2.2651 2.3129 2.3386 2.3521 2.5972 2.6249 2.6534 2.6616 2.8017 2.8955 3.1474 3.1835 3.2717 3.3249 3.5067 3.5907 3.6678 3.7471 4.0272 4.0505 4.1675 4.1784 4.5231 4.5600 4.6589 4.7279 5.2458 5.2856 5.7016 5.7393 5.7804 5.8053 6.0596 6.1097 6.1515 6.1608 6.4235 6.4853 6.6564 6.6862 6.8909 6.9203 7.3243 7.3398 7.7118 7.7126 8.0589 8.0908 10.0869 10.0948 k = 0.0000 0.0000 0.4278 ( 5880 PWs) bands (ev): -6.8626 -6.8609 -6.2702 -6.2675 -6.2403 -6.2374 -6.1314 -6.1233 1.3788 1.3995 1.4241 1.4312 1.4797 1.4921 1.5361 1.5752 1.6223 1.6703 1.7286 1.7618 1.8409 1.8638 2.1122 2.1609 2.2520 2.2868 2.3382 2.3440 2.5851 2.5859 2.6295 2.6388 2.8051 2.9014 3.1372 3.1921 3.2584 3.3281 3.5066 3.5975 3.6732 3.7475 4.0356 4.0605 4.1914 4.1994 4.5373 4.5752 4.6748 4.7464 5.2597 5.2994 5.7089 5.7544 5.7732 5.7968 6.0670 6.1156 6.1860 6.1931 6.4567 6.5226 6.6707 6.6981 6.9153 6.9444 7.3008 7.3143 7.6659 7.6663 8.0353 8.0684 10.1636 10.1713 k = 0.0000 0.0000 0.4482 ( 5880 PWs) bands (ev): -6.8424 -6.8405 -6.2796 -6.2769 -6.2468 -6.2439 -6.1374 -6.1293 1.3843 1.4056 1.4181 1.4426 1.4821 1.4926 1.5303 1.5792 1.6130 1.6640 1.7339 1.7617 1.8439 1.8706 2.0989 2.1443 2.2385 2.2630 2.3360 2.3370 2.5433 2.5730 2.5966 2.6253 2.8080 2.9069 3.1258 3.2013 3.2452 3.3326 3.5069 3.6030 3.6826 3.7503 4.0441 4.0705 4.2173 4.2231 4.5507 4.5900 4.6896 4.7640 5.2695 5.3093 5.7132 5.7680 5.7687 5.7885 6.0740 6.1203 6.2218 6.2260 6.4932 6.5620 6.6841 6.7089 6.9395 6.9682 7.2823 7.2935 7.6221 7.6225 8.0107 8.0449 10.2370 10.2442 k = 0.0000 0.0000 0.4685 ( 5880 PWs) bands (ev): -6.8217 -6.8196 -6.2890 -6.2864 -6.2531 -6.2502 -6.1438 -6.1357 1.3882 1.4029 1.4176 1.4457 1.4747 1.4914 1.5400 1.5889 1.6056 1.6587 1.7425 1.7620 1.8473 1.8776 2.0876 2.1229 2.2249 2.2424 2.3279 2.3347 2.4992 2.5576 2.5670 2.6121 2.8104 2.9122 3.1134 3.2109 3.2320 3.3382 3.5075 3.6068 3.6958 3.7555 4.0525 4.0804 4.2447 4.2493 4.5634 4.6045 4.7033 4.7802 5.2750 5.3151 5.7142 5.7653 5.7800 5.7825 6.0814 6.1245 6.2580 6.2588 6.5326 6.6033 6.6966 6.7187 6.9632 6.9915 7.2686 7.2771 7.5809 7.5826 7.9852 8.0203 10.3058 10.3123 k = 0.0000 0.0000 0.4889 ( 5876 PWs) bands (ev): -6.8007 -6.7984 -6.2984 -6.2960 -6.2591 -6.2563 -6.1507 -6.1426 1.3906 1.3972 1.4177 1.4412 1.4698 1.4807 1.5597 1.5941 1.6102 1.6558 1.7533 1.7620 1.8513 1.8848 2.0786 2.0973 2.2113 2.2249 2.3194 2.3303 2.4550 2.5276 2.5525 2.5986 2.8126 2.9173 3.1002 3.2184 3.2216 3.3450 3.5079 3.6090 3.7121 3.7629 4.0606 4.0900 4.2733 4.2776 4.5755 4.6189 4.7156 4.7950 5.2761 5.3166 5.7122 5.7645 5.7730 5.7940 6.0895 6.1288 6.2913 6.2938 6.5742 6.6460 6.7083 6.7279 6.9863 7.0142 7.2594 7.2646 7.5433 7.5468 7.9588 7.9947 10.3687 10.3742 k = 0.0000 0.0000 0.5093 ( 5868 PWs) bands (ev): -6.7794 -6.7769 -6.3078 -6.3057 -6.2648 -6.2621 -6.1580 -6.1500 1.3910 1.3918 1.4157 1.4331 1.4658 1.4678 1.5813 1.5901 1.6293 1.6557 1.7618 1.7656 1.8556 1.8920 2.0689 2.0723 2.1979 2.2098 2.3105 2.3227 2.4129 2.4958 2.5412 2.5849 2.8147 2.9225 3.0862 3.2055 3.2321 3.3526 3.5080 3.6098 3.7309 3.7725 4.0683 4.0992 4.3026 4.3077 4.5869 4.6332 4.7264 4.8079 5.2727 5.3136 5.7081 5.7648 5.7664 5.8044 6.0989 6.1337 6.3230 6.3286 6.6175 6.6899 6.7194 6.7368 7.0087 7.0362 7.2542 7.2554 7.5100 7.5159 7.9316 7.9682 10.4240 10.4284 k = 0.0000 0.0000 0.5296 ( 5860 PWs) bands (ev): -6.7578 -6.7551 -6.3173 -6.3153 -6.2701 -6.2675 -6.1658 -6.1578 1.3872 1.3890 1.4119 1.4240 1.4545 1.4623 1.5869 1.6022 1.6504 1.6583 1.7618 1.7789 1.8603 1.8989 2.0392 2.0688 2.1847 2.1965 2.3010 2.3086 2.3768 2.4654 2.5303 2.5708 2.8168 2.9277 3.0718 3.1923 3.2435 3.3612 3.5076 3.6093 3.7517 3.7842 4.0754 4.1077 4.3322 4.3392 4.5977 4.6477 4.7356 4.8189 5.2647 5.3059 5.7031 5.7605 5.7650 5.8131 6.1096 6.1397 6.3537 6.3619 6.6615 6.7302 6.7342 6.7461 7.0301 7.0573 7.2487 7.2523 7.4817 7.4907 7.9037 7.9410 10.4699 10.4732 k = 0.0000 0.0000 0.5500 ( 5860 PWs) bands (ev): -6.7362 -6.7333 -6.3267 -6.3251 -6.2750 -6.2725 -6.1739 -6.1661 1.3835 1.3848 1.4069 1.4149 1.4416 1.4598 1.5854 1.6208 1.6635 1.6695 1.7633 1.7928 1.8653 1.9052 2.0100 2.0677 2.1720 2.1844 2.2843 2.2909 2.3515 2.4372 2.5194 2.5561 2.8189 2.9330 3.0570 3.1790 3.2552 3.3705 3.5065 3.6078 3.7740 3.7978 4.0817 4.1154 4.3620 4.3719 4.6081 4.6623 4.7432 4.8277 5.2523 5.2935 5.6978 5.7554 5.7645 5.8198 6.1218 6.1471 6.3830 6.3931 6.7043 6.7420 6.7549 6.7797 7.0505 7.0775 7.2441 7.2532 7.4590 7.4717 7.8753 7.9130 10.5046 10.5069 k = 0.0000 0.0000 0.5704 ( 5860 PWs) bands (ev): -6.7144 -6.7113 -6.3362 -6.3349 -6.2795 -6.2771 -6.1824 -6.1748 1.3786 1.3803 1.4013 1.4059 1.4296 1.4589 1.5855 1.6364 1.6708 1.6830 1.7686 1.8062 1.8709 1.9103 1.9840 2.0683 2.1597 2.1732 2.2523 2.2799 2.3355 2.4117 2.5086 2.5407 2.8212 2.9386 3.0419 3.1658 3.2674 3.3805 3.5047 3.6054 3.7976 3.8132 4.0873 4.1221 4.3915 4.4055 4.6180 4.6774 4.7492 4.8343 5.2357 5.2765 5.6928 5.7513 5.7631 5.8245 6.1356 6.1564 6.4105 6.4213 6.7361 6.7641 6.7650 6.8242 7.0697 7.0967 7.2413 7.2561 7.4423 7.4591 7.8464 7.8845 10.5269 10.5283 k = 0.0000 0.0000 0.5908 ( 5864 PWs) bands (ev): -6.6927 -6.6894 -6.3457 -6.3447 -6.2834 -6.2811 -6.1912 -6.1839 1.3713 1.3770 1.3958 1.3969 1.4191 1.4597 1.5872 1.6491 1.6789 1.6887 1.7789 1.8166 1.8775 1.9129 1.9655 2.0693 2.1481 2.1626 2.2201 2.2681 2.3234 2.3893 2.4977 2.5246 2.8237 2.9444 3.0266 3.1527 3.2799 3.3910 3.5020 3.6020 3.8220 3.8301 4.0918 4.1277 4.4205 4.4398 4.6275 4.6929 4.7537 4.8385 5.2153 5.2550 5.6884 5.7481 5.7606 5.8272 6.1510 6.1676 6.4355 6.4460 6.7499 6.7761 6.8030 6.8678 7.0880 7.1150 7.2401 7.2607 7.4316 7.4526 7.8173 7.8557 10.5362 10.5372 k = 0.0000 0.0000 0.6111 ( 5870 PWs) bands (ev): -6.6711 -6.6675 -6.3553 -6.3547 -6.2868 -6.2846 -6.2002 -6.1932 1.3636 1.3730 1.3879 1.3904 1.4114 1.4621 1.5901 1.6594 1.6861 1.6876 1.7917 1.8197 1.8858 1.9147 1.9582 2.0685 2.1371 2.1524 2.1934 2.2555 2.3122 2.3703 2.4865 2.5078 2.8265 2.9504 3.0115 3.1398 3.2927 3.4019 3.4984 3.5979 3.8470 3.8484 4.0952 4.1321 4.4489 4.4744 4.6369 4.7088 4.7566 4.8404 5.1916 5.2293 5.6849 5.7460 5.7571 5.8278 6.1679 6.1809 6.4570 6.4662 6.7597 6.7886 6.8443 6.9095 7.1053 7.1325 7.2409 7.2667 7.4267 7.4514 7.7882 7.8267 10.5331 10.5340 k = 0.0000 0.0000 0.6315 ( 5874 PWs) bands (ev): -6.6496 -6.6458 -6.3650 -6.3649 -6.2896 -6.2875 -6.2094 -6.2028 1.3560 1.3680 1.3791 1.3840 1.4084 1.4659 1.5938 1.6677 1.6825 1.6908 1.8026 1.8127 1.8969 1.9219 1.9597 2.0633 2.1266 2.1425 2.1766 2.2420 2.3009 2.3548 2.4751 2.4903 2.8297 2.9567 2.9965 3.1271 3.3056 3.4133 3.4940 3.5929 3.8678 3.8724 4.0974 4.1349 4.4766 4.5092 4.6460 4.7253 4.7581 4.8399 5.1652 5.1999 5.6822 5.7450 5.7527 5.8267 6.1862 6.1962 6.4739 6.4809 6.7701 6.8032 6.8834 6.9480 7.1222 7.1496 7.2438 7.2738 7.4269 7.4546 7.7593 7.7977 10.5192 10.5204 k = 0.0000 0.0000 0.6519 ( 5870 PWs) bands (ev): -6.6284 -6.6244 -6.3753 -6.3750 -6.2917 -6.2897 -6.2187 -6.2124 1.3489 1.3625 1.3705 1.3766 1.4101 1.4712 1.5981 1.6720 1.6754 1.6934 1.7998 1.8086 1.9111 1.9360 1.9657 2.0530 2.1172 2.1327 2.1714 2.2280 2.2893 2.3430 2.4634 2.4719 2.8333 2.9633 2.9817 3.1146 3.3187 3.4249 3.4887 3.5872 3.8881 3.8980 4.0981 4.1363 4.5036 4.5440 4.6553 4.7420 4.7583 4.8371 5.1369 5.1673 5.6805 5.7449 5.7476 5.8239 6.2057 6.2133 6.4850 6.4895 6.7827 6.8204 6.9185 6.9820 7.1395 7.1666 7.2487 7.2818 7.4314 7.4615 7.7308 7.7690 10.4972 10.4987 k = 0.0000 0.0000 0.6722 ( 5872 PWs) bands (ev): -6.6075 -6.6034 -6.3860 -6.3852 -6.2932 -6.2912 -6.2279 -6.2221 1.3425 1.3569 1.3623 1.3690 1.4154 1.4778 1.6020 1.6676 1.6683 1.6974 1.7872 1.8082 1.9274 1.9536 1.9741 2.0402 2.1096 2.1226 2.1751 2.2134 2.2773 2.3348 2.4512 2.4528 2.8375 2.9673 2.9702 3.1025 3.3319 3.4368 3.4826 3.5807 3.9088 3.9235 4.0974 4.1358 4.5300 4.5783 4.6647 4.7574 4.7586 4.8325 5.1073 5.1321 5.6798 5.7419 5.7459 5.8199 6.2264 6.2320 6.4897 6.4918 6.7984 6.8403 6.9480 7.0097 7.1578 7.1842 7.2551 7.2902 7.4392 7.4710 7.7029 7.7409 10.4699 10.4719 k = 0.0000 0.0000 0.6926 ( 5860 PWs) bands (ev): -6.5871 -6.5828 -6.3971 -6.3958 -6.2939 -6.2919 -6.2369 -6.2316 1.3371 1.3517 1.3547 1.3619 1.4234 1.4857 1.6042 1.6536 1.6629 1.7040 1.7778 1.8019 1.9439 1.9712 1.9857 2.0287 2.1047 2.1123 2.1838 2.1985 2.2654 2.3302 2.4330 2.4388 2.8422 2.9534 2.9774 3.0907 3.3450 3.4487 3.4757 3.5736 3.9298 3.9486 4.0950 4.1336 4.5558 4.6117 4.6750 4.7558 4.7734 4.8275 5.0772 5.0948 5.6801 5.7359 5.7479 5.8149 6.2480 6.2522 6.4878 6.4882 6.8175 6.8628 6.9706 7.0298 7.1777 7.2028 7.2626 7.2985 7.4496 7.4825 7.6759 7.7135 10.4404 10.4427 k = 0.0000 0.0000 0.7130 ( 5860 PWs) bands (ev): -6.5671 -6.5628 -6.4088 -6.4070 -6.2938 -6.2919 -6.2456 -6.2408 1.3326 1.3471 1.3478 1.3555 1.4337 1.4947 1.6029 1.6334 1.6612 1.7115 1.7713 1.7908 1.9588 1.9851 2.0023 2.0203 2.1016 2.1034 2.1834 2.1940 2.2548 2.3289 2.4126 2.4260 2.8474 2.9401 2.9850 3.0792 3.3580 3.4607 3.4679 3.5658 3.9506 3.9730 4.0908 4.1293 4.5812 4.6422 4.6872 4.7542 4.7818 4.8266 5.0473 5.0562 5.6814 5.7296 5.7507 5.8090 6.2704 6.2735 6.4793 6.4801 6.8395 6.8871 6.9855 7.0418 7.1988 7.2223 7.2701 7.3059 7.4618 7.4956 7.6501 7.6872 10.4114 10.4137 k = 0.0000 0.0000 0.7334 ( 5852 PWs) bands (ev): -6.5478 -6.5434 -6.4210 -6.4187 -6.2928 -6.2909 -6.2539 -6.2496 1.3292 1.3417 1.3434 1.3501 1.4463 1.5048 1.5973 1.6102 1.6646 1.7193 1.7664 1.7764 1.9707 1.9966 2.0148 2.0218 2.0907 2.1065 2.1679 2.2008 2.2493 2.3308 2.3917 2.4130 2.8533 2.9274 2.9928 3.0681 3.3708 3.4595 3.4726 3.5573 3.9710 3.9965 4.0848 4.1230 4.6063 4.6663 4.7028 4.7547 4.7778 4.8359 5.0167 5.0182 5.6835 5.7232 5.7544 5.8027 6.2934 6.2958 6.4660 6.4674 6.8635 6.9125 6.9925 7.0462 7.2199 7.2422 7.2768 7.3117 7.4755 7.5098 7.6255 7.6622 10.3854 10.3874 k = 0.0000 0.0000 0.7537 ( 5848 PWs) bands (ev): -6.5291 -6.5247 -6.4340 -6.4312 -6.2910 -6.2890 -6.2616 -6.2578 1.3269 1.3365 1.3406 1.3456 1.4609 1.5158 1.5859 1.5884 1.6721 1.7268 1.7599 1.7620 1.9795 2.0076 2.0107 2.0411 2.0800 2.1144 2.1521 2.1978 2.2546 2.3355 2.3705 2.3999 2.8599 2.9155 3.0010 3.0574 3.3834 3.4503 3.4843 3.5483 3.9905 4.0188 4.0769 4.1145 4.6313 4.6823 4.7168 4.7645 4.7647 4.8523 4.9768 4.9903 5.6864 5.7168 5.7589 5.7960 6.3167 6.3187 6.4493 6.4510 6.8883 6.9380 6.9921 7.0438 7.2395 7.2614 7.2817 7.3150 7.4904 7.5250 7.6023 7.6385 10.3642 10.3656 k = 0.0000 0.0000 0.7741 ( 5842 PWs) bands (ev): -6.5111 -6.5069 -6.4477 -6.4445 -6.2884 -6.2862 -6.2686 -6.2652 1.3258 1.3323 1.3388 1.3421 1.4776 1.5277 1.5617 1.5774 1.6827 1.7339 1.7428 1.7574 1.9864 2.0068 2.0187 2.0560 2.0731 2.1263 2.1358 2.1867 2.2688 2.3426 2.3490 2.3869 2.8672 2.9043 3.0095 3.0471 3.3957 3.4405 3.4959 3.5387 4.0090 4.0396 4.0670 4.1038 4.6559 4.6935 4.7200 4.7469 4.7894 4.8718 4.9370 4.9638 5.6901 5.7107 5.7640 5.7892 6.3403 6.3420 6.4301 6.4318 6.9127 6.9626 6.9852 7.0358 7.2562 7.2789 7.2840 7.3153 7.5062 7.5411 7.5805 7.6163 10.3495 10.3502 k = 0.0000 0.0000 0.7945 ( 5842 PWs) bands (ev): -6.4940 -6.4899 -6.4623 -6.4587 -6.2848 -6.2824 -6.2749 -6.2719 1.3257 1.3290 1.3380 1.3397 1.4962 1.5384 1.5400 1.5652 1.6955 1.7260 1.7406 1.7524 1.9922 2.0025 2.0300 2.0520 2.0844 2.1190 2.1408 2.1722 2.2868 2.3277 2.3518 2.3743 2.8753 2.8938 3.0184 3.0371 3.4076 3.4301 3.5072 3.5286 4.0260 4.0552 4.0586 4.0909 4.6802 4.7026 4.7165 4.7263 4.8227 4.8928 4.8977 4.9388 5.6944 5.7048 5.7697 5.7824 6.3638 6.3653 6.4091 6.4108 6.9356 6.9728 6.9855 7.0229 7.2692 7.2831 7.2935 7.3119 7.5231 7.5581 7.5601 7.5956 10.3422 10.3426 k = 0.0000 0.0000 0.8148 ( 5852 PWs) bands (ev): -6.4777 -6.4777 -6.4738 -6.4738 -6.2803 -6.2803 -6.2776 -6.2776 1.3268 1.3268 1.3383 1.3383 1.5165 1.5165 1.5527 1.5527 1.7100 1.7100 1.7468 1.7468 1.9975 1.9975 2.0413 2.0413 2.1017 2.1017 2.1564 2.1564 2.3068 2.3068 2.3624 2.3624 2.8841 2.8841 3.0276 3.0276 3.4191 3.4191 3.5180 3.5180 4.0415 4.0415 4.0758 4.0758 4.7038 4.7038 4.7102 4.7102 4.8594 4.8594 4.9152 4.9152 5.6994 5.6994 5.7759 5.7759 6.3868 6.3868 6.3884 6.3884 6.9559 6.9559 7.0058 7.0058 7.2782 7.2782 7.3046 7.3046 7.5410 7.5410 7.5762 7.5762 10.3427 10.3427 k = 0.0000 0.0000 0.8148 ( 5852 PWs) bands (ev): -6.4777 -6.4777 -6.4738 -6.4738 -6.2803 -6.2803 -6.2776 -6.2776 1.3268 1.3268 1.3383 1.3383 1.5165 1.5165 1.5527 1.5527 1.7100 1.7100 1.7468 1.7468 1.9975 1.9975 2.0413 2.0413 2.1017 2.1017 2.1564 2.1564 2.3068 2.3068 2.3624 2.3624 2.8841 2.8841 3.0276 3.0276 3.4191 3.4191 3.5180 3.5180 4.0415 4.0415 4.0758 4.0758 4.7038 4.7038 4.7102 4.7102 4.8594 4.8594 4.9152 4.9152 5.6994 5.6994 5.7759 5.7759 6.3868 6.3868 6.3884 6.3884 6.9559 6.9559 7.0058 7.0058 7.2782 7.2782 7.3046 7.3046 7.5410 7.5410 7.5762 7.5762 10.3427 10.3428 k =-0.0126 0.0162 0.8148 ( 5852 PWs) bands (ev): -6.4777 -6.4777 -6.4738 -6.4738 -6.2803 -6.2803 -6.2777 -6.2777 1.3241 1.3241 1.3388 1.3388 1.5169 1.5169 1.5532 1.5532 1.7099 1.7099 1.7475 1.7475 1.9958 1.9959 2.0422 2.0422 2.1017 2.1017 2.1591 2.1591 2.3067 2.3067 2.3630 2.3631 2.8845 2.8845 3.0278 3.0278 3.4186 3.4186 3.5175 3.5175 4.0413 4.0414 4.0769 4.0769 4.7007 4.7007 4.7127 4.7127 4.8593 4.8593 4.9157 4.9157 5.6995 5.6995 5.7759 5.7759 6.3852 6.3852 6.3876 6.3877 6.9555 6.9555 7.0054 7.0054 7.2781 7.2781 7.3045 7.3045 7.5398 7.5398 7.5749 7.5749 10.3444 10.3444 k =-0.0252 0.0324 0.8148 ( 5852 PWs) bands (ev): -6.4777 -6.4777 -6.4738 -6.4738 -6.2805 -6.2805 -6.2778 -6.2778 1.3176 1.3176 1.3389 1.3389 1.5182 1.5182 1.5548 1.5548 1.7096 1.7096 1.7497 1.7497 1.9916 1.9916 2.0437 2.0437 2.1031 2.1031 2.1662 2.1663 2.3066 2.3066 2.3648 2.3648 2.8855 2.8855 3.0285 3.0285 3.4172 3.4172 3.5158 3.5158 4.0411 4.0411 4.0802 4.0802 4.6952 4.6952 4.7162 4.7162 4.8591 4.8591 4.9172 4.9172 5.6998 5.6998 5.7760 5.7760 6.3810 6.3810 6.3850 6.3850 6.9540 6.9540 7.0039 7.0039 7.2776 7.2776 7.3040 7.3040 7.5365 7.5365 7.5711 7.5711 10.3495 10.3496 k =-0.0377 0.0486 0.8148 ( 5858 PWs) bands (ev): -6.4777 -6.4776 -6.4739 -6.4739 -6.2807 -6.2807 -6.2779 -6.2779 1.3089 1.3089 1.3372 1.3372 1.5199 1.5199 1.5573 1.5573 1.7095 1.7095 1.7532 1.7533 1.9860 1.9861 2.0436 2.0436 2.1078 2.1078 2.1765 2.1765 2.3064 2.3064 2.3677 2.3677 2.8872 2.8872 3.0296 3.0296 3.4150 3.4150 3.5130 3.5130 4.0410 4.0410 4.0852 4.0852 4.6889 4.6889 4.7190 4.7191 4.8589 4.8589 4.9196 4.9196 5.7004 5.7004 5.7762 5.7762 6.3746 6.3746 6.3802 6.3802 6.9514 6.9514 7.0013 7.0013 7.2769 7.2769 7.3032 7.3032 7.5312 7.5312 7.5648 7.5648 10.3581 10.3581 k =-0.0503 0.0648 0.8148 ( 5854 PWs) bands (ev): -6.4777 -6.4776 -6.4740 -6.4740 -6.2810 -6.2810 -6.2781 -6.2781 1.2988 1.2988 1.3334 1.3334 1.5217 1.5217 1.5603 1.5603 1.7097 1.7097 1.7581 1.7581 1.9803 1.9803 2.0412 2.0412 2.1165 2.1165 2.1887 2.1887 2.3066 2.3066 2.3717 2.3717 2.8896 2.8896 3.0311 3.0311 3.4118 3.4118 3.5092 3.5092 4.0415 4.0415 4.0915 4.0915 4.6822 4.6823 4.7210 4.7210 4.8590 4.8590 4.9229 4.9229 5.7012 5.7012 5.7765 5.7765 6.3662 6.3662 6.3734 6.3734 6.9475 6.9475 6.9974 6.9974 7.2758 7.2758 7.3020 7.3020 7.5243 7.5243 7.5566 7.5566 10.3699 10.3700 k =-0.0629 0.0810 0.8148 ( 5856 PWs) bands (ev): -6.4777 -6.4777 -6.4742 -6.4742 -6.2812 -6.2812 -6.2782 -6.2782 1.2877 1.2877 1.3278 1.3278 1.5230 1.5230 1.5634 1.5634 1.7107 1.7107 1.7641 1.7641 1.9749 1.9749 2.0372 2.0372 2.1287 2.1287 2.2019 2.2019 2.3072 2.3073 2.3766 2.3767 2.8927 2.8927 3.0331 3.0331 3.4079 3.4079 3.5044 3.5044 4.0427 4.0427 4.0986 4.0986 4.6752 4.6752 4.7218 4.7218 4.8595 4.8595 4.9268 4.9268 5.7022 5.7022 5.7768 5.7768 6.3559 6.3559 6.3648 6.3648 6.9419 6.9419 6.9919 6.9919 7.2743 7.2743 7.3005 7.3005 7.5163 7.5163 7.5469 7.5469 10.3851 10.3851 k =-0.0755 0.0971 0.8148 ( 5856 PWs) bands (ev): -6.4780 -6.4780 -6.4746 -6.4746 -6.2814 -6.2814 -6.2783 -6.2783 1.2759 1.2759 1.3206 1.3206 1.5235 1.5235 1.5662 1.5662 1.7127 1.7127 1.7714 1.7714 1.9701 1.9701 2.0323 2.0323 2.1435 2.1435 2.2153 2.2153 2.3089 2.3089 2.3826 2.3826 2.8964 2.8964 3.0356 3.0356 3.4033 3.4033 3.4988 3.4988 4.0447 4.0447 4.1064 4.1064 4.6680 4.6680 4.7214 4.7214 4.8606 4.8606 4.9314 4.9314 5.7036 5.7036 5.7773 5.7773 6.3441 6.3441 6.3545 6.3545 6.9344 6.9344 6.9846 6.9846 7.2725 7.2725 7.2984 7.2984 7.5076 7.5076 7.5361 7.5361 10.4032 10.4032 k =-0.0881 0.1133 0.8148 ( 5850 PWs) bands (ev): -6.4784 -6.4784 -6.4753 -6.4753 -6.2814 -6.2814 -6.2782 -6.2781 1.2636 1.2636 1.3120 1.3120 1.5228 1.5228 1.5684 1.5684 1.7157 1.7157 1.7798 1.7798 1.9659 1.9660 2.0273 2.0274 2.1600 2.1601 2.2283 2.2284 2.3121 2.3121 2.3895 2.3896 2.9008 2.9008 3.0384 3.0384 3.3981 3.3982 3.4925 3.4925 4.0476 4.0476 4.1146 4.1146 4.6606 4.6607 4.7198 4.7198 4.8623 4.8623 4.9364 4.9364 5.7052 5.7052 5.7779 5.7779 6.3310 6.3310 6.3428 6.3428 6.9248 6.9248 6.9753 6.9753 7.2702 7.2702 7.2960 7.2960 7.4987 7.4987 7.5250 7.5250 10.4242 10.4242 k =-0.1007 0.1295 0.8148 ( 5850 PWs) bands (ev): -6.4791 -6.4791 -6.4762 -6.4762 -6.2812 -6.2812 -6.2778 -6.2778 1.2511 1.2511 1.3024 1.3024 1.5209 1.5209 1.5695 1.5695 1.7198 1.7198 1.7894 1.7894 1.9626 1.9626 2.0226 2.0226 2.1779 2.1779 2.2401 2.2402 2.3174 2.3174 2.3975 2.3975 2.9059 2.9059 3.0417 3.0417 3.3924 3.3924 3.4856 3.4856 4.0513 4.0513 4.1228 4.1228 4.6533 4.6534 4.7171 4.7171 4.8648 4.8648 4.9419 4.9419 5.7071 5.7071 5.7787 5.7787 6.3169 6.3169 6.3299 6.3299 6.9127 6.9127 6.9637 6.9637 7.2673 7.2673 7.2929 7.2929 7.4900 7.4900 7.5141 7.5141 10.4478 10.4479 k =-0.1132 0.1457 0.8148 ( 5846 PWs) bands (ev): -6.4801 -6.4801 -6.4774 -6.4774 -6.2807 -6.2807 -6.2771 -6.2771 1.2385 1.2385 1.2920 1.2920 1.5176 1.5176 1.5692 1.5692 1.7247 1.7247 1.8001 1.8001 1.9600 1.9600 2.0184 2.0184 2.1966 2.1966 2.2502 2.2502 2.3255 2.3255 2.4065 2.4065 2.9116 2.9116 3.0453 3.0453 3.3862 3.3862 3.4783 3.4783 4.0559 4.0559 4.1309 4.1309 4.6462 4.6462 4.7132 4.7133 4.8681 4.8681 4.9478 4.9478 5.7094 5.7094 5.7796 5.7796 6.3020 6.3021 6.3162 6.3162 6.8980 6.8980 6.9498 6.9498 7.2637 7.2637 7.2893 7.2893 7.4818 7.4818 7.5043 7.5043 10.4738 10.4738 k =-0.1258 0.1619 0.8148 ( 5848 PWs) bands (ev): -6.4815 -6.4815 -6.4791 -6.4791 -6.2798 -6.2798 -6.2760 -6.2760 1.2258 1.2258 1.2809 1.2809 1.5132 1.5132 1.5676 1.5676 1.7303 1.7303 1.8115 1.8115 1.9583 1.9583 2.0148 2.0148 2.2157 2.2157 2.2586 2.2586 2.3364 2.3364 2.4167 2.4167 2.9179 2.9179 3.0494 3.0494 3.3796 3.3796 3.4705 3.4705 4.0611 4.0611 4.1386 4.1386 4.6393 4.6394 4.7085 4.7085 4.8721 4.8721 4.9539 4.9539 5.7121 5.7121 5.7807 5.7807 6.2867 6.2867 6.3018 6.3018 6.8807 6.8807 6.9335 6.9335 7.2595 7.2595 7.2850 7.2850 7.4742 7.4742 7.4961 7.4961 10.5019 10.5019 k =-0.1384 0.1781 0.8148 ( 5840 PWs) bands (ev): -6.4834 -6.4834 -6.4813 -6.4812 -6.2784 -6.2784 -6.2745 -6.2745 1.2131 1.2131 1.2694 1.2694 1.5078 1.5078 1.5645 1.5645 1.7362 1.7363 1.8233 1.8233 1.9574 1.9574 2.0118 2.0119 2.2343 2.2343 2.2665 2.2665 2.3497 2.3497 2.4283 2.4283 2.9248 2.9248 3.0538 3.0539 3.3728 3.3728 3.4625 3.4625 4.0668 4.0668 4.1457 4.1457 4.6330 4.6330 4.7032 4.7032 4.8768 4.8768 4.9603 4.9603 5.7152 5.7152 5.7821 5.7821 6.2711 6.2711 6.2870 6.2870 6.8609 6.8609 6.9148 6.9148 7.2545 7.2545 7.2801 7.2801 7.4673 7.4673 7.4898 7.4898 10.5318 10.5318 k =-0.1510 0.1943 0.8148 ( 5846 PWs) bands (ev): -6.4859 -6.4858 -6.4839 -6.4839 -6.2766 -6.2765 -6.2724 -6.2724 1.2006 1.2006 1.2575 1.2575 1.5014 1.5014 1.5600 1.5600 1.7423 1.7423 1.8351 1.8351 1.9574 1.9574 2.0095 2.0095 2.2503 2.2503 2.2764 2.2764 2.3646 2.3646 2.4413 2.4413 2.9323 2.9323 3.0587 3.0587 3.3657 3.3657 3.4543 3.4543 4.0729 4.0729 4.1519 4.1519 4.6273 4.6273 4.6975 4.6975 4.8821 4.8821 4.9668 4.9668 5.7186 5.7186 5.7836 5.7836 6.2554 6.2554 6.2720 6.2720 6.8389 6.8389 6.8939 6.8939 7.2487 7.2487 7.2744 7.2744 7.4613 7.4613 7.4855 7.4855 10.5633 10.5633 k =-0.1510 0.1943 0.8148 ( 5846 PWs) bands (ev): -6.4859 -6.4858 -6.4839 -6.4839 -6.2766 -6.2765 -6.2724 -6.2724 1.2006 1.2006 1.2575 1.2575 1.5014 1.5014 1.5600 1.5600 1.7423 1.7423 1.8351 1.8351 1.9574 1.9574 2.0095 2.0095 2.2503 2.2503 2.2764 2.2764 2.3646 2.3646 2.4413 2.4413 2.9323 2.9323 3.0587 3.0587 3.3657 3.3657 3.4543 3.4543 4.0729 4.0729 4.1519 4.1519 4.6273 4.6273 4.6975 4.6975 4.8821 4.8821 4.9668 4.9668 5.7186 5.7186 5.7836 5.7836 6.2554 6.2554 6.2720 6.2720 6.8389 6.8389 6.8939 6.8939 7.2487 7.2487 7.2744 7.2744 7.4613 7.4613 7.4855 7.4855 10.5633 10.5633 k =-0.1597 0.2055 0.8006 ( 5862 PWs) bands (ev): -6.4946 -6.4926 -6.4814 -6.4797 -6.2811 -6.2771 -6.2685 -6.2640 1.1911 1.1930 1.2482 1.2502 1.4894 1.5046 1.5497 1.5633 1.7403 1.7530 1.8367 1.8494 1.9546 1.9607 2.0077 2.0090 2.2532 2.2609 2.2802 2.2924 2.3736 2.3778 2.4495 2.4553 2.9331 2.9427 3.0571 3.0678 3.3523 3.3687 3.4396 3.4574 4.0728 4.0807 4.1527 4.1572 4.6020 4.6393 4.6775 4.7157 4.8791 4.8904 4.9696 4.9762 5.7178 5.7248 5.7811 5.7885 6.2238 6.2415 6.2654 6.2815 6.8112 6.8325 6.8697 6.8854 7.2306 7.2469 7.2627 7.2851 7.4530 7.4634 7.4798 7.4882 10.5835 10.5919 k =-0.1684 0.2167 0.7864 ( 5864 PWs) bands (ev): -6.5031 -6.5011 -6.4782 -6.4767 -6.2854 -6.2816 -6.2596 -6.2547 1.1819 1.1859 1.2388 1.2433 1.4790 1.5073 1.5404 1.5659 1.7392 1.7633 1.8375 1.8634 1.9515 1.9642 2.0067 2.0086 2.2560 2.2642 2.2818 2.3138 2.3812 2.3942 2.4583 2.4738 2.9345 2.9533 3.0563 3.0775 3.3388 3.3712 3.4246 3.4606 4.0721 4.0873 4.1511 4.1616 4.5746 4.6271 4.6825 4.7364 4.8759 4.8955 4.9758 4.9871 5.7173 5.7311 5.7792 5.7933 6.1922 6.2109 6.2754 6.2910 6.7828 6.8233 6.8447 6.8738 7.2085 7.2249 7.2667 7.2952 7.4454 7.4679 7.4754 7.4937 10.6077 10.6193 k =-0.1772 0.2280 0.7722 ( 5864 PWs) bands (ev): -6.5114 -6.5094 -6.4761 -6.4746 -6.2896 -6.2860 -6.2501 -6.2448 1.1729 1.1793 1.2291 1.2368 1.4703 1.5093 1.5323 1.5678 1.7386 1.7728 1.8374 1.8768 1.9483 1.9676 2.0070 2.0087 2.2578 2.2653 2.2826 2.3361 2.3878 2.4128 2.4675 2.4953 2.9364 2.9640 3.0564 3.0880 3.3251 3.3731 3.4098 3.4639 4.0700 4.0933 4.1464 4.1659 4.5463 4.6010 4.7019 4.7578 4.8743 4.8988 4.9843 4.9980 5.7173 5.7373 5.7778 5.7980 6.1611 6.1806 6.2852 6.3004 6.7543 6.8103 6.8206 6.8595 7.1834 7.1983 7.2706 7.3028 7.4393 7.4696 7.4778 7.5017 10.6354 10.6472 k =-0.1859 0.2392 0.7580 ( 5858 PWs) bands (ev): -6.5193 -6.5173 -6.4749 -6.4734 -6.2937 -6.2902 -6.2401 -6.2344 1.1641 1.1732 1.2192 1.2308 1.4634 1.5104 1.5260 1.5690 1.7383 1.7813 1.8363 1.8887 1.9456 1.9713 2.0085 2.0099 2.2577 2.2658 2.2842 2.3574 2.3945 2.4327 2.4770 2.5189 2.9385 2.9745 3.0577 3.0992 3.3115 3.3732 3.3964 3.4671 4.0662 4.0991 4.1386 4.1704 4.5177 4.5730 4.7232 4.7777 4.8762 4.9024 4.9935 5.0082 5.7177 5.7432 5.7770 5.8022 6.1309 6.1510 6.2949 6.3096 6.7262 6.7894 6.8023 6.8428 7.1556 7.1693 7.2720 7.3066 7.4361 7.4690 7.4869 7.5117 10.6660 10.6780 k =-0.1946 0.2504 0.7437 ( 5856 PWs) bands (ev): -6.5270 -6.5249 -6.4745 -6.4728 -6.2975 -6.2941 -6.2299 -6.2238 1.1555 1.1675 1.2093 1.2253 1.4582 1.5100 1.5222 1.5697 1.7381 1.7884 1.8343 1.8977 1.9446 1.9754 2.0107 2.0126 2.2561 2.2653 2.2878 2.3766 2.4020 2.4533 2.4869 2.5437 2.9408 2.9846 3.0604 3.1113 3.2980 3.3674 3.3884 3.4704 4.0602 4.1048 4.1281 4.1753 4.4894 4.5452 4.7431 4.7929 4.8849 4.9080 5.0025 5.0171 5.7186 5.7483 5.7771 5.8058 6.1020 6.1227 6.3043 6.3186 6.6988 6.7643 6.7867 6.8243 7.1256 7.1386 7.2705 7.3060 7.4366 7.4705 7.4980 7.5233 10.6989 10.7111 k =-0.2033 0.2616 0.7295 ( 5856 PWs) bands (ev): -6.5342 -6.5322 -6.4747 -6.4728 -6.3012 -6.2979 -6.2196 -6.2132 1.1471 1.1622 1.1993 1.2203 1.4545 1.5080 1.5211 1.5699 1.7377 1.7940 1.8313 1.9021 1.9468 1.9804 2.0136 2.0168 2.2539 2.2634 2.2933 2.3924 2.4113 2.4733 2.4982 2.5692 2.9431 2.9936 3.0649 3.1241 3.2850 3.3545 3.3870 3.4736 4.0517 4.1080 4.1178 4.1805 4.4619 4.5184 4.7598 4.8013 4.9019 4.9173 5.0109 5.0245 5.7197 5.7520 5.7783 5.8086 6.0751 6.0961 6.3131 6.3273 6.6725 6.7388 6.7707 6.8045 7.0937 7.1067 7.2660 7.3009 7.4409 7.4748 7.5102 7.5359 10.7333 10.7456 k =-0.2121 0.2729 0.7153 ( 5855 PWs) bands (ev): -6.5411 -6.5391 -6.4753 -6.4732 -6.3047 -6.3015 -6.2095 -6.2028 1.1389 1.1573 1.1895 1.2158 1.4523 1.5054 1.5216 1.5697 1.7372 1.7978 1.8274 1.9015 1.9524 1.9864 2.0173 2.0220 2.2518 2.2606 2.3004 2.4041 2.4226 2.4901 2.5131 2.5950 2.9453 3.0013 3.0714 3.1374 3.2727 3.3391 3.3879 3.4768 4.0408 4.0967 4.1198 4.1859 4.4355 4.4931 4.7722 4.8042 4.9246 4.9318 5.0185 5.0302 5.7212 5.7537 5.7807 5.8104 6.0508 6.0718 6.3213 6.3356 6.6473 6.7135 6.7543 6.7840 7.0604 7.0742 7.2591 7.2925 7.4480 7.4814 7.5232 7.5492 10.7684 10.7806 k =-0.2208 0.2841 0.7011 ( 5857 PWs) bands (ev): -6.5476 -6.5456 -6.4762 -6.4739 -6.3079 -6.3049 -6.1996 -6.1926 1.1311 1.1527 1.1800 1.2118 1.4513 1.5034 1.5226 1.5691 1.7364 1.8000 1.8229 1.8976 1.9598 1.9932 2.0217 2.0284 2.2500 2.2571 2.3085 2.4132 2.4345 2.5020 2.5332 2.6207 2.9473 3.0073 3.0799 3.1510 3.2619 3.3229 3.3892 3.4799 4.0274 4.0795 4.1256 4.1917 4.4108 4.4698 4.7804 4.8042 4.9432 4.9568 5.0255 5.0351 5.7228 5.7532 5.7843 5.8109 6.0295 6.0504 6.3287 6.3436 6.6234 6.6886 6.7378 6.7634 7.0261 7.0412 7.2504 7.2819 7.4570 7.4898 7.5365 7.5628 10.8032 10.8152 k =-0.2295 0.2953 0.6869 ( 5853 PWs) bands (ev): -6.5536 -6.5516 -6.4773 -6.4748 -6.3109 -6.3080 -6.1901 -6.1829 1.1237 1.1483 1.1712 1.2082 1.4513 1.5021 1.5239 1.5683 1.7353 1.8004 1.8179 1.8920 1.9675 2.0003 2.0265 2.0359 2.2486 2.2537 2.3173 2.4209 2.4454 2.5109 2.5560 2.6462 2.9489 3.0118 3.0896 3.1643 3.2535 3.3066 3.3906 3.4828 4.0116 4.0604 4.1314 4.1977 4.3881 4.4488 4.7855 4.8032 4.9576 4.9868 5.0296 5.0433 5.7243 5.7506 5.7884 5.8103 6.0119 6.0325 6.3353 6.3513 6.6007 6.6641 6.7217 6.7435 6.9913 7.0081 7.2408 7.2704 7.4669 7.4993 7.5499 7.5765 10.8364 10.8480 k =-0.2382 0.3066 0.6726 ( 5855 PWs) bands (ev): -6.5592 -6.5572 -6.4785 -6.4758 -6.3138 -6.3109 -6.1811 -6.1737 1.1167 1.1438 1.1633 1.2051 1.4523 1.5016 1.5253 1.5673 1.7340 1.7992 1.8128 1.8858 1.9751 2.0070 2.0313 2.0446 2.2466 2.2513 2.3267 2.4278 2.4547 2.5183 2.5799 2.6711 2.9502 3.0152 3.0993 3.1767 3.2488 3.2903 3.3919 3.4856 3.9937 4.0399 4.1366 4.2038 4.3677 4.4301 4.7888 4.8025 4.9668 5.0157 5.0311 5.0587 5.7253 5.7459 5.7919 5.8093 5.9980 6.0182 6.3411 6.3586 6.5794 6.6399 6.7065 6.7249 6.9564 6.9753 7.2308 7.2587 7.4771 7.5093 7.5630 7.5899 10.8666 10.8775 k =-0.2470 0.3178 0.6584 ( 5857 PWs) bands (ev): -6.5643 -6.5623 -6.4798 -6.4769 -6.3163 -6.3136 -6.1726 -6.1651 1.1103 1.1390 1.1566 1.2025 1.4538 1.5019 1.5268 1.5661 1.7325 1.7964 1.8081 1.8793 1.9822 2.0128 2.0360 2.0543 2.2435 2.2508 2.3366 2.4339 2.4624 2.5247 2.6041 2.6951 2.9510 3.0177 3.1073 3.1876 3.2492 3.2745 3.3930 3.4883 3.9741 4.0184 4.1407 4.2101 4.3498 4.4142 4.7913 4.8028 4.9695 5.0217 5.0522 5.0798 5.7250 5.7396 5.7938 5.8096 5.9880 6.0075 6.3460 6.3654 6.5594 6.6160 6.6925 6.7083 6.9218 6.9429 7.2210 7.2474 7.4871 7.5193 7.5756 7.6028 10.8921 10.9021 k =-0.2557 0.3290 0.6442 ( 5859 PWs) bands (ev): -6.5689 -6.5670 -6.4810 -6.4780 -6.3187 -6.3160 -6.1649 -6.1572 1.1043 1.1338 1.1514 1.2002 1.4559 1.5027 1.5283 1.5648 1.7309 1.7920 1.8041 1.8731 1.9890 2.0178 2.0402 2.0645 2.2398 2.2515 2.3468 2.4390 2.4688 2.5301 2.6282 2.7178 2.9513 3.0198 3.1120 3.1971 3.2535 3.2614 3.3939 3.4907 3.9533 3.9962 4.1435 4.2165 4.3345 4.4009 4.7935 4.8049 4.9667 5.0155 5.0823 5.1044 5.7224 5.7320 5.7938 5.8125 5.9815 5.9999 6.3502 6.3718 6.5408 6.5927 6.6802 6.6943 6.8881 6.9112 7.2118 7.2370 7.4966 7.5290 7.5876 7.6149 10.9111 10.9200 k =-0.2644 0.3402 0.6300 ( 5861 PWs) bands (ev): -6.5730 -6.5711 -6.4822 -6.4791 -6.3207 -6.3181 -6.1580 -6.1501 1.0990 1.1283 1.1476 1.1982 1.4582 1.5039 1.5299 1.5634 1.7294 1.7865 1.8006 1.8672 1.9953 2.0219 2.0440 2.0745 2.2363 2.2529 2.3571 2.4428 2.4742 2.5346 2.6519 2.7388 2.9511 3.0216 3.1127 3.2049 3.2470 3.2665 3.3944 3.4928 3.9324 3.9737 4.1450 4.2227 4.3217 4.3902 4.7962 4.8090 4.9598 5.0063 5.1116 5.1300 5.7166 5.7241 5.7938 5.8171 5.9776 5.9947 6.3537 6.3776 6.5237 6.5702 6.6699 6.6834 6.8555 6.8806 7.2035 7.2276 7.5053 7.5380 7.5986 7.6262 10.9225 10.9303 k =-0.2731 0.3515 0.6158 ( 5865 PWs) bands (ev): -6.5765 -6.5747 -6.4834 -6.4801 -6.3225 -6.3200 -6.1518 -6.1438 1.0943 1.1230 1.1448 1.1966 1.4606 1.5054 1.5317 1.5619 1.7279 1.7807 1.7974 1.8618 2.0011 2.0251 2.0472 2.0840 2.2331 2.2547 2.3674 2.4450 2.4790 2.5383 2.6749 2.7575 2.9505 3.0232 3.1101 3.2059 3.2451 3.2780 3.3946 3.4947 3.9120 3.9512 4.1455 4.2286 4.3110 4.3820 4.7999 4.8150 4.9500 4.9949 5.1393 5.1548 5.7082 5.7158 5.7952 5.8224 5.9757 5.9913 6.3567 6.3830 6.5084 6.5489 6.6622 6.6756 6.8244 6.8512 7.1961 7.2195 7.5132 7.5462 7.6085 7.6363 10.9259 10.9328 k =-0.2819 0.3627 0.6015 ( 5861 PWs) bands (ev): -6.5796 -6.5778 -6.4844 -6.4810 -6.3241 -6.3216 -6.1465 -6.1384 1.0903 1.1181 1.1427 1.1953 1.4630 1.5071 1.5335 1.5604 1.7267 1.7749 1.7946 1.8571 2.0064 2.0275 2.0500 2.0926 2.2303 2.2567 2.3777 2.4456 2.4832 2.5411 2.6970 2.7732 2.9496 3.0248 3.1057 3.1977 3.2544 3.2900 3.3944 3.4963 3.8934 3.9294 4.1451 4.2341 4.3024 4.3760 4.8050 4.8230 4.9380 4.9818 5.1647 5.1778 5.6991 5.7070 5.7982 5.8279 5.9750 5.9890 6.3594 6.3880 6.4951 6.5293 6.6573 6.6711 6.7951 6.8234 7.1899 7.2126 7.5200 7.5533 7.6172 7.6452 10.9228 10.9292 k =-0.2906 0.3739 0.5873 ( 5855 PWs) bands (ev): -6.5821 -6.5803 -6.4852 -6.4818 -6.3253 -6.3229 -6.1421 -6.1339 1.0870 1.1139 1.1412 1.1943 1.4652 1.5086 1.5354 1.5588 1.7258 1.7695 1.7922 1.8531 2.0111 2.0291 2.0523 2.0999 2.2280 2.2586 2.3876 2.4445 2.4870 2.5431 2.7177 2.7853 2.9487 3.0264 3.1009 3.1864 3.2684 3.3008 3.3937 3.4975 3.8773 3.9089 4.1443 4.2388 4.2955 4.3718 4.8118 4.8326 4.9246 4.9676 5.1870 5.1978 5.6904 5.6981 5.8021 5.8331 5.9748 5.9874 6.3616 6.3924 6.4841 6.5119 6.6554 6.6698 6.7682 6.7976 7.1848 7.2071 7.5258 7.5593 7.6245 7.6526 10.9155 10.9219 k =-0.2993 0.3852 0.5731 ( 5859 PWs) bands (ev): -6.5841 -6.5823 -6.4859 -6.4824 -6.3263 -6.3239 -6.1387 -6.1304 1.0844 1.1105 1.1401 1.1935 1.4670 1.5100 1.5372 1.5572 1.7252 1.7648 1.7901 1.8500 2.0151 2.0299 2.0542 2.1057 2.2261 2.2603 2.3970 2.4419 2.4902 2.5445 2.7367 2.7931 2.9479 3.0277 3.0966 3.1754 3.2830 3.3095 3.3925 3.4985 3.8649 3.8905 4.1432 4.2426 4.2902 4.3691 4.8200 4.8434 4.9105 4.9529 5.2056 5.2141 5.6829 5.6898 5.8062 5.8378 5.9747 5.9861 6.3636 6.3961 6.4757 6.4969 6.6567 6.6714 6.7441 6.7742 7.1808 7.2028 7.5303 7.5640 7.6303 7.6585 10.9068 10.9133 k =-0.3080 0.3964 0.5589 ( 5858 PWs) bands (ev): -6.5855 -6.5837 -6.4864 -6.4829 -6.3270 -6.3246 -6.1362 -6.1279 1.0826 1.1080 1.1393 1.1930 1.4684 1.5111 1.5389 1.5558 1.7249 1.7612 1.7886 1.8477 2.0183 2.0302 2.0556 2.1100 2.2248 2.2616 2.4057 2.4380 2.4927 2.5453 2.7532 2.7964 2.9475 3.0289 3.0934 3.1665 3.2964 3.3151 3.3911 3.4991 3.8569 3.8750 4.1423 4.2454 4.2864 4.3674 4.8293 4.8549 4.8965 4.9387 5.2199 5.2259 5.6772 5.6832 5.8098 5.8414 5.9746 5.9851 6.3651 6.3992 6.4705 6.4848 6.6610 6.6753 6.7234 6.7541 7.1780 7.1998 7.5335 7.5675 7.6345 7.6628 10.8990 10.9057 k =-0.3168 0.4076 0.5447 ( 5856 PWs) bands (ev): -6.5863 -6.5846 -6.4867 -6.4831 -6.3275 -6.3251 -6.1347 -6.1264 1.0815 1.1065 1.1389 1.1927 1.4693 1.5118 1.5402 1.5547 1.7248 1.7588 1.7877 1.8463 2.0205 2.0301 2.0564 2.1126 2.2241 2.2624 2.4130 2.4337 2.4942 2.5458 2.7658 2.7958 2.9474 3.0297 3.0915 3.1606 3.3071 3.3169 3.3899 3.4995 3.8538 3.8633 4.1416 4.2472 4.2841 4.3665 4.8381 4.8656 4.8840 4.9270 5.2292 5.2327 5.6736 5.6789 5.8123 5.8438 5.9745 5.9844 6.3662 6.4012 6.4687 6.4760 6.6679 6.6789 6.7079 6.7392 7.1763 7.1980 7.5355 7.5695 7.6370 7.6654 10.8937 10.9005 k =-0.3255 0.4188 0.5304 ( 5850 PWs) bands (ev): -6.5866 -6.5849 -6.4868 -6.4832 -6.3276 -6.3252 -6.1342 -6.1259 1.0811 1.1060 1.1388 1.1926 1.4696 1.5120 1.5407 1.5542 1.7248 1.7580 1.7873 1.8458 2.0213 2.0299 2.0567 2.1134 2.2238 2.2627 2.4166 2.4311 2.4948 2.5459 2.7712 2.7944 2.9474 3.0300 3.0909 3.1586 3.3131 3.3152 3.3893 3.4996 3.8549 3.8572 4.1414 4.2478 4.2833 4.3662 4.8425 4.8731 4.8755 4.9220 5.2327 5.2347 5.6724 5.6775 5.8132 5.8447 5.9744 5.9842 6.3666 6.4020 6.4704 6.4710 6.6732 6.6786 6.7021 6.7332 7.1756 7.1974 7.5362 7.5702 7.6379 7.6663 10.8918 10.8987 k =-0.3255 0.4188 0.5304 ( 5850 PWs) bands (ev): -6.5866 -6.5849 -6.4868 -6.4832 -6.3276 -6.3252 -6.1342 -6.1259 1.0811 1.1060 1.1388 1.1926 1.4696 1.5120 1.5407 1.5542 1.7248 1.7580 1.7873 1.8458 2.0213 2.0299 2.0567 2.1134 2.2238 2.2627 2.4166 2.4311 2.4948 2.5459 2.7712 2.7944 2.9474 3.0300 3.0909 3.1586 3.3131 3.3152 3.3893 3.4996 3.8549 3.8572 4.1414 4.2478 4.2833 4.3662 4.8425 4.8731 4.8755 4.9220 5.2327 5.2347 5.6724 5.6775 5.8132 5.8447 5.9744 5.9842 6.3666 6.4020 6.4704 6.4710 6.6732 6.6786 6.7021 6.7332 7.1756 7.1974 7.5362 7.5702 7.6379 7.6663 10.8918 10.8987 k =-0.3167 0.4075 0.5161 ( 5852 PWs) bands (ev): -6.5937 -6.5921 -6.4752 -6.4715 -6.3336 -6.3309 -6.1326 -6.1241 1.0921 1.1175 1.1501 1.2034 1.4856 1.5272 1.5642 1.5653 1.7237 1.7454 1.7849 1.8449 2.0214 2.0327 2.0672 2.1205 2.1806 2.2342 2.4141 2.4142 2.4944 2.5475 2.7520 2.7758 2.9404 3.0211 3.0893 3.1626 3.3176 3.3181 3.3988 3.5110 3.8475 3.8507 4.1021 4.2167 4.2982 4.3804 4.8185 4.8553 4.8662 4.9053 5.2412 5.2413 5.6730 5.6758 5.8129 5.8470 5.9709 5.9802 6.3905 6.4195 6.4491 6.4574 6.6784 6.6960 6.7093 6.7273 7.1974 7.2194 7.5321 7.5648 7.6414 7.6677 10.8761 10.8821 k =-0.3079 0.3962 0.5018 ( 5846 PWs) bands (ev): -6.6031 -6.6017 -6.4633 -6.4596 -6.3374 -6.3345 -6.1310 -6.1223 1.1040 1.1298 1.1619 1.2145 1.5025 1.5418 1.5713 1.5874 1.7273 1.7330 1.7829 1.8435 2.0194 2.0332 2.0774 2.1276 2.1395 2.2060 2.4015 2.4121 2.4953 2.5498 2.7330 2.7579 2.9337 3.0130 3.0881 3.1663 3.3192 3.3228 3.4075 3.5216 3.8412 3.8453 4.0641 4.1864 4.3125 4.3938 4.7918 4.8331 4.8561 4.8887 5.2459 5.2481 5.6752 5.6758 5.8128 5.8498 5.9654 5.9738 6.3947 6.4036 6.4456 6.4759 6.6808 6.7151 6.7255 6.7270 7.2220 7.2440 7.5247 7.5557 7.6428 7.6666 10.8574 10.8626 k =-0.2991 0.3849 0.4874 ( 5848 PWs) bands (ev): -6.6148 -6.6135 -6.4512 -6.4473 -6.3392 -6.3360 -6.1294 -6.1204 1.1166 1.1429 1.1742 1.2259 1.5200 1.5554 1.5718 1.6092 1.7214 1.7356 1.7813 1.8418 2.0136 2.0287 2.0869 2.1002 2.1384 2.1812 2.3924 2.4104 2.4974 2.5528 2.7141 2.7410 2.9274 3.0054 3.0870 3.1698 3.3201 3.3270 3.4157 3.5314 3.8362 3.8409 4.0278 4.1573 4.3260 4.4062 4.7628 4.8070 4.8450 4.8723 5.2489 5.2530 5.6774 5.6792 5.8126 5.8528 5.9582 5.9655 6.3767 6.3784 6.4620 6.5019 6.6839 6.7197 6.7446 6.7496 7.2491 7.2710 7.5142 7.5433 7.6422 7.6634 10.8355 10.8400 k =-0.2903 0.3736 0.4731 ( 5854 PWs) bands (ev): -6.6285 -6.6274 -6.4388 -6.4349 -6.3389 -6.3355 -6.1277 -6.1186 1.1300 1.1568 1.1870 1.2377 1.5380 1.5673 1.5677 1.6281 1.7121 1.7471 1.7802 1.8398 2.0022 2.0124 2.0739 2.0950 2.1491 2.1640 2.3863 2.4087 2.5006 2.5565 2.6957 2.7255 2.9213 2.9984 3.0860 3.1730 3.3201 3.3307 3.4232 3.5404 3.8325 3.8372 3.9934 4.1294 4.3385 4.4175 4.7321 4.7777 4.8329 4.8557 5.2501 5.2561 5.6804 5.6846 5.8124 5.8559 5.9496 5.9555 6.3523 6.3533 6.4814 6.5268 6.6891 6.7206 6.7717 6.7761 7.2788 7.3001 7.5010 7.5275 7.6402 7.6585 10.8102 10.8140 k =-0.2815 0.3622 0.4588 ( 5852 PWs) bands (ev): -6.6441 -6.6431 -6.4262 -6.4222 -6.3368 -6.3333 -6.1259 -6.1167 1.1442 1.1714 1.2004 1.2501 1.5548 1.5613 1.5770 1.6410 1.7081 1.7600 1.7796 1.8377 1.9815 1.9835 2.0624 2.1010 2.1576 2.1620 2.3826 2.4069 2.5047 2.5610 2.6781 2.7117 2.9154 2.9919 3.0852 3.1760 3.3192 3.3339 3.4302 3.5487 3.8301 3.8338 3.9616 4.1026 4.3499 4.4276 4.7001 4.7462 4.8198 4.8387 5.2496 5.2572 5.6848 5.6915 5.8121 5.8592 5.9400 5.9443 6.3264 6.3290 6.4991 6.5494 6.6964 6.7230 6.8012 6.8050 7.3109 7.3309 7.4856 7.5088 7.6372 7.6525 10.7813 10.7844 k =-0.2727 0.3509 0.4444 ( 5856 PWs) bands (ev): -6.6612 -6.6602 -6.4135 -6.4095 -6.3332 -6.3295 -6.1241 -6.1149 1.1592 1.1869 1.2144 1.2630 1.5489 1.5756 1.5836 1.6441 1.7134 1.7723 1.7794 1.8354 1.9446 1.9583 2.0578 2.1053 2.1621 2.1772 2.3806 2.4045 2.5097 2.5662 2.6615 2.7001 2.9095 2.9857 3.0845 3.1786 3.3173 3.3364 3.4368 3.5562 3.8290 3.8299 3.9334 4.0771 4.3600 4.4364 4.6673 4.7131 4.8058 4.8211 5.2475 5.2565 5.6904 5.6995 5.8114 5.8625 5.9296 5.9322 6.3008 6.3047 6.5142 6.5690 6.7055 6.7267 6.8320 6.8353 7.3452 7.3621 7.4695 7.4877 7.6339 7.6460 10.7485 10.7510 k =-0.2639 0.3396 0.4301 ( 5858 PWs) bands (ev): -6.6795 -6.6786 -6.4007 -6.3966 -6.3282 -6.3244 -6.1223 -6.1130 1.1750 1.2030 1.2291 1.2767 1.5374 1.5866 1.5937 1.6384 1.7271 1.7791 1.7815 1.8328 1.9084 1.9288 2.0554 2.1094 2.1749 2.1951 2.3798 2.4011 2.5153 2.5722 2.6463 2.6912 2.9036 2.9799 3.0839 3.1809 3.3145 3.3383 3.4430 3.5629 3.8238 3.8292 3.9106 4.0529 4.3688 4.4436 4.6343 4.6792 4.7910 4.8031 5.2438 5.2539 5.6969 5.7087 5.8104 5.8655 5.9189 5.9197 6.2758 6.2807 6.5265 6.5854 6.7153 6.7314 6.8635 6.8662 7.3814 7.3896 7.4569 7.4647 7.6310 7.6400 10.7117 10.7137 k =-0.2551 0.3283 0.4158 ( 5842 PWs) bands (ev): -6.6987 -6.6980 -6.3878 -6.3836 -6.3222 -6.3183 -6.1205 -6.1112 1.1916 1.2198 1.2443 1.2909 1.5249 1.5860 1.6111 1.6283 1.7451 1.7785 1.7842 1.8294 1.8786 1.8976 2.0537 2.1138 2.1934 2.2158 2.3798 2.3966 2.5215 2.5786 2.6332 2.6854 2.8976 2.9742 3.0833 3.1829 3.3107 3.3395 3.4490 3.5689 3.8134 3.8306 3.8952 4.0300 4.3758 4.4490 4.6019 4.6452 4.7756 4.7847 5.2386 5.2496 5.7042 5.7189 5.8089 5.8679 5.9076 5.9082 6.2512 6.2570 6.5362 6.5984 6.7249 6.7363 6.8947 6.8969 7.3989 7.4192 7.4407 7.4629 7.6293 7.6356 10.6708 10.6722 k =-0.2463 0.3170 0.4014 ( 5836 PWs) bands (ev): -6.7187 -6.7180 -6.3748 -6.3707 -6.3154 -6.3114 -6.1187 -6.1093 1.2089 1.2373 1.2601 1.3059 1.5118 1.5819 1.6160 1.6268 1.7643 1.7735 1.7773 1.8265 1.8618 1.8668 2.0523 2.1185 2.2162 2.2391 2.3798 2.3904 2.5282 2.5850 2.6230 2.6829 2.8913 2.9686 3.0827 3.1845 3.3059 3.3398 3.4549 3.5742 3.7983 3.8332 3.8880 4.0084 4.3807 4.4518 4.5710 4.6120 4.7598 4.7660 5.2320 5.2435 5.7120 5.7298 5.8067 5.8685 5.8972 5.8977 6.2271 6.2336 6.5435 6.6079 6.7331 6.7405 6.9246 6.9262 7.3874 7.4152 7.4599 7.4903 7.6299 7.6341 10.6257 10.6266 k =-0.2375 0.3056 0.3871 ( 5844 PWs) bands (ev): -6.7392 -6.7385 -6.3619 -6.3577 -6.3079 -6.3039 -6.1169 -6.1075 1.2269 1.2554 1.2764 1.3213 1.4986 1.5749 1.6024 1.6394 1.7487 1.7724 1.7845 1.8277 1.8399 1.8564 2.0511 2.1234 2.2423 2.2646 2.3793 2.3826 2.5354 2.5903 2.6176 2.6839 2.8846 2.9629 3.0821 3.1858 3.3003 3.3393 3.4607 3.5787 3.7804 3.8366 3.8868 3.9880 4.3829 4.4506 4.5435 4.5805 4.7435 4.7470 5.2239 5.2358 5.7199 5.7413 5.8035 5.8646 5.8878 5.8914 6.2033 6.2104 6.5486 6.6141 6.7387 6.7432 6.9517 6.9528 7.3708 7.3923 7.5004 7.5239 7.6335 7.6374 10.5763 10.5767 k =-0.2287 0.2943 0.3727 ( 5854 PWs) bands (ev): -6.7600 -6.7593 -6.3490 -6.3449 -6.2998 -6.2958 -6.1150 -6.1057 1.2455 1.2739 1.2931 1.3372 1.4855 1.5656 1.5875 1.6464 1.7195 1.7673 1.7898 1.8293 1.8329 1.8556 2.0501 2.1283 2.2707 2.2919 2.3734 2.3778 2.5432 2.5931 2.6188 2.6882 2.8775 2.9570 3.0815 3.1867 3.2939 3.3380 3.4664 3.5826 3.7619 3.8409 3.8895 3.9689 4.3818 4.4433 4.5220 4.5518 4.7270 4.7280 5.2146 5.2264 5.7276 5.7531 5.7993 5.8559 5.8791 5.8911 6.1799 6.1874 6.5516 6.6171 6.7409 6.7438 6.9743 6.9747 7.3558 7.3725 7.5415 7.5567 7.6412 7.6479 10.5226 10.5226 k =-0.2199 0.2830 0.3584 ( 5853 PWs) bands (ev): -6.7808 -6.7803 -6.3362 -6.3321 -6.2914 -6.2874 -6.1132 -6.1040 1.2648 1.2929 1.3097 1.3532 1.4728 1.5548 1.5714 1.6420 1.6962 1.7564 1.7780 1.8409 1.8437 1.8569 2.0495 2.1333 2.3000 2.3196 2.3637 2.3753 2.5514 2.5947 2.6257 2.6957 2.8698 2.9510 3.0808 3.1872 3.2871 3.3359 3.4722 3.5860 3.7444 3.8458 3.8943 3.9510 4.3765 4.4284 4.5081 4.5271 4.7091 4.7103 5.2040 5.2154 5.7345 5.7647 5.7943 5.8457 5.8717 5.8936 6.1569 6.1646 6.5525 6.6168 6.7391 6.7417 6.9901 6.9903 7.3461 7.3586 7.5822 7.5857 7.6546 7.6684 10.4643 10.4649 k =-0.2111 0.2717 0.3441 ( 5855 PWs) bands (ev): -6.8017 -6.8012 -6.3235 -6.3194 -6.2827 -6.2787 -6.1114 -6.1022 1.2847 1.3121 1.3259 1.3689 1.4611 1.5431 1.5545 1.6214 1.6854 1.7386 1.7686 1.8479 1.8627 1.8649 2.0493 2.1385 2.3282 2.3388 2.3618 2.3727 2.5600 2.5982 2.6357 2.7058 2.8615 2.9446 3.0802 3.1873 3.2801 3.3331 3.4781 3.5888 3.7288 3.8509 3.9003 3.9344 4.3666 4.4080 4.5002 4.5074 4.6904 4.6935 5.1921 5.2028 5.7396 5.7730 5.7911 5.8362 5.8660 5.8972 6.1341 6.1419 6.5513 6.6131 6.7329 6.7369 6.9968 6.9974 7.3443 7.3530 7.6103 7.6203 7.6755 7.6990 10.4021 10.4032 k =-0.2023 0.2604 0.3297 ( 5867 PWs) bands (ev): -6.8225 -6.8220 -6.3110 -6.3070 -6.2739 -6.2699 -6.1096 -6.1006 1.3048 1.3313 1.3407 1.3830 1.4510 1.5309 1.5380 1.5928 1.6804 1.7194 1.7618 1.8495 1.8765 1.8872 2.0495 2.1438 2.3324 2.3471 2.3770 2.3847 2.5691 2.6045 2.6477 2.7183 2.8525 2.9378 3.0796 3.1870 3.2731 3.3298 3.4841 3.5910 3.7153 3.8561 3.9067 3.9189 4.3527 4.3858 4.4924 4.4951 4.6721 4.6767 5.1791 5.1888 5.7417 5.7703 5.7973 5.8294 5.8619 5.9015 6.1115 6.1194 6.5477 6.6058 6.7224 6.7294 6.9939 6.9944 7.3518 7.3573 7.6336 7.6538 7.7059 7.7363 10.3362 10.3377 k =-0.1935 0.2490 0.3154 ( 5871 PWs) bands (ev): -6.8429 -6.8425 -6.2987 -6.2948 -6.2649 -6.2610 -6.1078 -6.0990 1.3248 1.3502 1.3528 1.3936 1.4436 1.5187 1.5241 1.5637 1.6755 1.7018 1.7558 1.8486 1.8946 1.9093 2.0503 2.1494 2.3201 2.3473 2.3974 2.4123 2.5786 2.6137 2.6613 2.7326 2.8428 2.9307 3.0790 3.1863 3.2667 3.3264 3.4903 3.5926 3.7046 3.8609 3.9047 3.9129 4.3363 4.3643 4.4811 4.4905 4.6543 4.6600 5.1648 5.1732 5.7398 5.7610 5.8089 5.8265 5.8594 5.9061 6.0893 6.0972 6.5418 6.5948 6.7080 6.7198 6.9817 6.9820 7.3684 7.3714 7.6584 7.6840 7.7441 7.7772 10.2668 10.2687 k =-0.1847 0.2377 0.3011 ( 5871 PWs) bands (ev): -6.8631 -6.8626 -6.2867 -6.2828 -6.2559 -6.2521 -6.1060 -6.0974 1.3424 1.3618 1.3682 1.3973 1.4396 1.5093 1.5144 1.5382 1.6694 1.6864 1.7504 1.8469 1.9148 1.9306 2.0518 2.1551 2.3071 2.3406 2.4217 2.4391 2.5883 2.6250 2.6769 2.7483 2.8325 2.9233 3.0784 3.1853 3.2613 3.3234 3.4967 3.5935 3.6967 3.8648 3.8920 3.9182 4.3195 4.3447 4.4720 4.4856 4.6371 4.6433 5.1494 5.1562 5.7334 5.7493 5.8214 5.8277 5.8584 5.9111 6.0675 6.0754 6.5332 6.5801 6.6905 6.7086 6.9615 6.9631 7.3926 7.3937 7.6859 7.7142 7.7864 7.8198 10.1943 10.1966 k =-0.1759 0.2264 0.2867 ( 5875 PWs) bands (ev): -6.8828 -6.8823 -6.2749 -6.2712 -6.2469 -6.2433 -6.1043 -6.0959 1.3485 1.3752 1.3831 1.3924 1.4367 1.5019 1.5137 1.5208 1.6620 1.6735 1.7456 1.8446 1.9355 1.9507 2.0542 2.1609 2.2945 2.3328 2.4446 2.4638 2.5983 2.6373 2.6943 2.7650 2.8216 2.9155 3.0778 3.1838 3.2574 3.3210 3.5033 3.5935 3.6921 3.8666 3.8817 3.9222 4.3039 4.3280 4.4639 4.4797 4.6205 4.6268 5.1328 5.1377 5.7235 5.7364 5.8319 5.8338 5.8586 5.9161 6.0463 6.0544 6.5217 6.5618 6.6707 6.6962 6.9360 6.9393 7.4221 7.4226 7.7164 7.7459 7.8302 7.8631 10.1189 10.1216 k =-0.1671 0.2151 0.2724 ( 5871 PWs) bands (ev): -6.9019 -6.9015 -6.2635 -6.2599 -6.2380 -6.2345 -6.1026 -6.0944 1.3423 1.3748 1.3947 1.3986 1.4288 1.4972 1.5174 1.5219 1.6537 1.6631 1.7418 1.8421 1.9558 1.9693 2.0576 2.1661 2.2831 2.3256 2.4649 2.4856 2.6085 2.6495 2.7136 2.7821 2.8104 2.9076 3.0774 3.1819 3.2555 3.3199 3.5101 3.5921 3.6911 3.8634 3.8766 3.9243 4.2909 4.3144 4.4559 4.4728 4.6048 4.6106 5.1150 5.1177 5.7112 5.7226 5.8380 5.8452 5.8602 5.9209 6.0261 6.0347 6.5071 6.5402 6.6497 6.6829 6.9074 6.9126 7.4552 7.4567 7.7497 7.7798 7.8745 7.9066 10.0411 10.0442 k =-0.1583 0.2038 0.2581 ( 5877 PWs) bands (ev): -6.9205 -6.9201 -6.2524 -6.2489 -6.2293 -6.2259 -6.1009 -6.0930 1.3300 1.3549 1.4057 1.4117 1.4184 1.4977 1.5274 1.5342 1.6449 1.6557 1.7392 1.8394 1.9745 1.9862 2.0620 2.1701 2.2735 2.3200 2.4825 2.5038 2.6188 2.6608 2.7342 2.7993 2.7994 2.8997 3.0769 3.1796 3.2560 3.3205 3.5171 3.5892 3.6939 3.8562 3.8757 3.9242 4.2810 4.3040 4.4475 4.4647 4.5899 4.5946 5.0961 5.0963 5.6973 5.7080 5.8445 5.8544 5.8637 5.9251 6.0073 6.0173 6.4892 6.5160 6.6283 6.6688 6.8773 6.8844 7.4915 7.4940 7.7852 7.8155 7.9186 7.9496 9.9612 9.9648 k =-0.1496 0.1924 0.2437 ( 5873 PWs) bands (ev): -6.9384 -6.9380 -6.2417 -6.2385 -6.2207 -6.2176 -6.0993 -6.0917 1.3141 1.3323 1.3972 1.4067 1.4376 1.5044 1.5453 1.5471 1.6359 1.6522 1.7385 1.8368 1.9907 2.0013 2.0675 2.1720 2.2666 2.3169 2.4972 2.5178 2.6293 2.6704 2.7552 2.7894 2.8157 2.8924 3.0766 3.1770 3.2592 3.3229 3.5241 3.5849 3.7005 3.8492 3.8749 3.9218 4.2744 4.2966 4.4387 4.4556 4.5759 4.5790 5.0734 5.0760 5.6824 5.6927 5.8503 5.8603 5.8690 5.9279 5.9912 6.0037 6.4682 6.4898 6.6072 6.6540 6.8468 6.8558 7.5304 7.5337 7.8226 7.8526 7.9621 7.9920 9.8797 9.8836 k =-0.1408 0.1811 0.2294 ( 5869 PWs) bands (ev): -6.9556 -6.9552 -6.2315 -6.2284 -6.2124 -6.2094 -6.0978 -6.0905 1.2956 1.3087 1.3815 1.4026 1.4588 1.5155 1.5576 1.5668 1.6278 1.6535 1.7402 1.8342 2.0040 2.0149 2.0733 2.1712 2.2631 2.3166 2.5091 2.5273 2.6400 2.6776 2.7746 2.7828 2.8302 2.8867 3.0763 3.1741 3.2653 3.3274 3.5310 3.5792 3.7108 3.8438 3.8732 3.9173 4.2707 4.2917 4.4295 4.4458 4.5628 4.5638 5.0491 5.0546 5.6668 5.6770 5.8541 5.8647 5.8730 5.9289 5.9793 5.9954 6.4444 6.4623 6.5867 6.6383 6.8168 6.8275 7.5713 7.5752 7.8613 7.8908 8.0048 8.0335 9.7968 9.8011 k =-0.1320 0.1698 0.2150 ( 5865 PWs) bands (ev): -6.9720 -6.9716 -6.2217 -6.2189 -6.2043 -6.2016 -6.0963 -6.0894 1.2757 1.2851 1.3675 1.3954 1.4795 1.5278 1.5653 1.5872 1.6236 1.6596 1.7453 1.8317 2.0145 2.0270 2.0785 2.1674 2.2636 2.3188 2.5180 2.5320 2.6510 2.6817 2.7752 2.7975 2.8402 2.8853 3.0759 3.1708 3.2741 3.3338 3.5375 3.5723 3.7247 3.8406 3.8708 3.9112 4.2689 4.2882 4.4204 4.4357 4.5492 4.5508 5.0235 5.0322 5.6506 5.6608 5.8541 5.8683 5.8732 5.9293 5.9733 5.9932 6.4185 6.4342 6.5669 6.6218 6.7879 6.8000 7.6138 7.6184 7.9007 7.9295 8.0463 8.0737 9.7131 9.7177 k =-0.1232 0.1585 0.2007 ( 5873 PWs) bands (ev): -6.9875 -6.9872 -6.2124 -6.2099 -6.1965 -6.1941 -6.0949 -6.0883 1.2551 1.2621 1.3551 1.3867 1.4996 1.5375 1.5725 1.5946 1.6346 1.6687 1.7550 1.8294 2.0226 2.0380 2.0824 2.1611 2.2681 2.3223 2.5234 2.5318 2.6622 2.6827 2.7749 2.8166 2.8427 2.8915 3.0754 3.1671 3.2854 3.3418 3.5434 3.5645 3.7419 3.8402 3.8679 3.9040 4.2674 4.2848 4.4121 4.4264 4.5353 4.5399 4.9965 5.0086 5.6340 5.6440 5.8493 5.8647 5.8756 5.9315 5.9738 5.9956 6.3912 6.4061 6.5477 6.6044 6.7604 6.7736 7.6577 7.6629 7.9403 7.9682 8.0865 8.1124 9.6288 9.6338 k =-0.1144 0.1472 0.1864 ( 5869 PWs) bands (ev): -7.0022 -7.0019 -6.2037 -6.2015 -6.1891 -6.1869 -6.0935 -6.0873 1.2346 1.2399 1.3442 1.3773 1.5186 1.5415 1.5825 1.5903 1.6596 1.6786 1.7701 1.8272 2.0287 2.0483 2.0848 2.1528 2.2758 2.3258 2.5246 2.5270 2.6738 2.6820 2.7789 2.8351 2.8393 2.9038 3.0747 3.1630 3.2984 3.3510 3.5481 3.5560 3.7623 3.8431 3.8649 3.8965 4.2646 4.2797 4.4057 4.4190 4.5222 4.5306 4.9684 4.9840 5.6171 5.6271 5.8402 5.8545 5.8812 5.9366 5.9793 6.0010 6.3632 6.3785 6.5291 6.5864 6.7346 6.7486 7.7029 7.7086 7.9797 8.0064 8.1250 8.1495 9.5443 9.5496 k =-0.1056 0.1358 0.1720 ( 5865 PWs) bands (ev): -7.0159 -7.0157 -6.1956 -6.1936 -6.1819 -6.1801 -6.0923 -6.0864 1.2147 1.2189 1.3346 1.3678 1.5356 1.5406 1.5844 1.5949 1.6881 1.6887 1.7903 1.8253 2.0331 2.0581 2.0865 2.1432 2.2854 2.3279 2.5178 2.5209 2.6815 2.6855 2.7865 2.8337 2.8529 2.9188 3.0736 3.1584 3.3124 3.3608 3.5468 3.5512 3.7853 3.8497 3.8623 3.8891 4.2588 4.2714 4.4019 4.4146 4.5104 4.5229 4.9391 4.9583 5.6003 5.6101 5.8286 5.8419 5.8877 5.9444 5.9879 6.0080 6.3351 6.3518 6.5108 6.5676 6.7107 6.7252 7.7494 7.7556 8.0183 8.0438 8.1617 8.1846 9.4600 9.4656 k =-0.0968 0.1245 0.1577 ( 5861 PWs) bands (ev): -7.0287 -7.0285 -6.1880 -6.1864 -6.1752 -6.1737 -6.0910 -6.0856 1.1958 1.1992 1.3262 1.3585 1.5373 1.5480 1.5817 1.6076 1.6972 1.7193 1.8148 1.8236 2.0357 2.0677 2.0886 2.1328 2.2953 2.3276 2.5050 2.5118 2.6830 2.6973 2.7970 2.8283 2.8703 2.9349 3.0721 3.1532 3.3268 3.3708 3.5373 3.5524 3.8107 3.8568 3.8638 3.8825 4.2488 4.2587 4.4012 4.4137 4.5000 4.5173 4.9087 4.9316 5.5835 5.5931 5.8161 5.8286 5.8951 5.9539 5.9981 6.0158 6.3076 6.3262 6.4930 6.5484 6.6887 6.7033 7.7971 7.8037 8.0558 8.0799 8.1963 8.2177 9.3761 9.3820 k =-0.0880 0.1132 0.1434 ( 5867 PWs) bands (ev): -7.0405 -7.0403 -6.1810 -6.1798 -6.1689 -6.1677 -6.0899 -6.0849 1.1780 1.1808 1.3188 1.3495 1.5330 1.5512 1.5875 1.6194 1.7064 1.7504 1.8227 1.8424 2.0365 2.0774 2.0921 2.1222 2.3040 2.3242 2.4888 2.4976 2.6870 2.7089 2.8097 2.8242 2.8874 2.9513 3.0701 3.1473 3.3408 3.3804 3.5277 3.5515 3.8378 3.8569 3.8769 3.8775 4.2344 4.2416 4.4032 4.4158 4.4914 4.5140 4.8775 4.9042 5.5670 5.5763 5.8038 5.8155 5.9031 5.9646 6.0089 6.0239 6.2809 6.3020 6.4756 6.5289 6.6687 6.6832 7.8460 7.8530 8.0917 8.1142 8.2288 8.2484 9.2931 9.2993 k =-0.0792 0.1019 0.1290 ( 5875 PWs) bands (ev): -7.0513 -7.0511 -6.1748 -6.1738 -6.1631 -6.1621 -6.0889 -6.0843 1.1616 1.1640 1.3124 1.3409 1.5285 1.5474 1.5993 1.6295 1.7163 1.7802 1.8239 1.8721 2.0360 2.0873 2.0975 2.1115 2.3103 2.3176 2.4699 2.4792 2.6931 2.7196 2.8227 2.8245 2.9043 2.9676 3.0676 3.1407 3.3540 3.3893 3.5181 3.5484 3.8567 3.8643 3.8750 3.8955 4.2162 4.2209 4.4070 4.4196 4.4852 4.5133 4.8456 4.8760 5.5510 5.5599 5.7922 5.8032 5.9119 5.9759 6.0199 6.0319 6.2554 6.2794 6.4590 6.5093 6.6506 6.6647 7.8960 7.9032 8.1257 8.1465 8.2588 8.2768 9.2113 9.2177 k =-0.0704 0.0906 0.1147 ( 5879 PWs) bands (ev): -7.0610 -7.0608 -6.1691 -6.1684 -6.1577 -6.1571 -6.0879 -6.0838 1.1467 1.1488 1.3069 1.3329 1.5241 1.5416 1.6121 1.6380 1.7265 1.8013 1.8343 1.9032 2.0347 2.0968 2.1018 2.1048 2.3078 2.3133 2.4488 2.4579 2.7002 2.7289 2.8246 2.8411 2.9209 2.9833 3.0646 3.1333 3.3660 3.3972 3.5089 3.5434 3.8578 3.8693 3.8965 3.9169 4.1952 4.1977 4.4121 4.4240 4.4821 4.5150 4.8133 4.8474 5.5359 5.5442 5.7817 5.7919 5.9215 5.9876 6.0308 6.0399 6.2313 6.2582 6.4432 6.4900 6.6346 6.6479 7.9469 7.9545 8.1573 8.1763 8.2862 8.3024 9.1311 9.1376 k =-0.0616 0.0792 0.1004 ( 5881 PWs) bands (ev): -7.0696 -7.0694 -6.1641 -6.1637 -6.1530 -6.1525 -6.0870 -6.0834 1.1335 1.1352 1.3022 1.3255 1.5200 1.5355 1.6243 1.6449 1.7370 1.8068 1.8604 1.9353 2.0334 2.0901 2.1091 2.1138 2.2951 2.3125 2.4261 2.4346 2.7076 2.7359 2.8308 2.8590 2.9369 2.9980 3.0611 3.1249 3.3768 3.4040 3.5004 3.5369 3.8602 3.8692 3.9247 3.9399 4.1722 4.1728 4.4178 4.4279 4.4821 4.5189 4.7811 4.8185 5.5218 5.5295 5.7725 5.7817 5.9317 5.9992 6.0413 6.0475 6.2089 6.2386 6.4286 6.4712 6.6205 6.6329 7.9987 8.0064 8.1862 8.2033 8.3110 8.3253 9.0529 9.0595 k =-0.0528 0.0679 0.0860 ( 5875 PWs) bands (ev): -7.0771 -7.0770 -6.1598 -6.1595 -6.1488 -6.1485 -6.0862 -6.0831 1.1219 1.1233 1.2985 1.3187 1.5165 1.5298 1.6352 1.6506 1.7472 1.8068 1.8920 1.9678 2.0326 2.0804 2.1201 2.1242 2.2800 2.3077 2.4025 2.4103 2.7146 2.7405 2.8411 2.8777 2.9522 3.0115 3.0575 3.1155 3.3862 3.4093 3.4930 3.5292 3.8642 3.8707 3.9519 3.9635 4.1473 4.1481 4.4241 4.4315 4.4848 4.5243 4.7494 4.7898 5.5092 5.5161 5.7647 5.7729 5.9425 6.0099 6.0511 6.0551 6.1883 6.2205 6.4155 6.4533 6.6084 6.6195 8.0510 8.0588 8.2121 8.2273 8.3329 8.3453 8.9773 8.9840 k =-0.0440 0.0566 0.0717 ( 5871 PWs) bands (ev): -7.0835 -7.0834 -6.1562 -6.1560 -6.1452 -6.1450 -6.0855 -6.0829 1.1120 1.1132 1.2956 1.3127 1.5135 1.5246 1.6445 1.6554 1.7568 1.8054 1.9244 2.0003 2.0329 2.0712 2.1310 2.1356 2.2633 2.2988 2.3788 2.3860 2.7210 2.7430 2.8546 2.8961 2.9664 3.0233 3.0540 3.1050 3.3943 3.4133 3.4872 3.5209 3.8696 3.8740 3.9771 3.9861 4.1222 4.1240 4.4311 4.4355 4.4892 4.5302 4.7190 4.7616 5.4981 5.5040 5.7583 5.7652 5.9539 6.0188 6.0601 6.0633 6.1698 6.2036 6.4043 6.4367 6.5983 6.6080 8.1032 8.1111 8.2347 8.2479 8.3518 8.3623 8.9050 8.9116 k =-0.0352 0.0453 0.0573 ( 5877 PWs) bands (ev): -7.0887 -7.0886 -6.1532 -6.1531 -6.1422 -6.1421 -6.0848 -6.0827 1.1040 1.1049 1.2936 1.3074 1.5112 1.5201 1.6521 1.6592 1.7656 1.8034 1.9561 2.0320 2.0348 2.0625 2.1408 2.1476 2.2461 2.2857 2.3561 2.3624 2.7265 2.7441 2.8700 2.9128 2.9795 3.0331 3.0510 3.0934 3.4009 3.4158 3.4831 3.5124 3.8762 3.8789 3.9993 4.0065 4.0983 4.1008 4.4388 4.4408 4.4941 4.5354 4.6914 4.7345 5.4888 5.4937 5.7532 5.7589 5.9655 6.0246 6.0686 6.0722 6.1536 6.1877 6.3951 6.4218 6.5901 6.5982 8.1544 8.1621 8.2538 8.2650 8.3676 8.3762 8.8373 8.8436 k =-0.0264 0.0340 0.0430 ( 5875 PWs) bands (ev): -7.0928 -7.0927 -6.1509 -6.1509 -6.1399 -6.1398 -6.0843 -6.0827 1.0977 1.0984 1.2924 1.3028 1.5096 1.5162 1.6579 1.6622 1.7733 1.8009 1.9854 2.0395 2.0535 2.0628 2.1478 2.1595 2.2309 2.2690 2.3358 2.3407 2.7312 2.7442 2.8861 2.9258 2.9919 3.0404 3.0493 3.0806 3.4063 3.4170 3.4810 3.5042 3.8835 3.8849 4.0178 4.0234 4.0771 4.0797 4.4468 4.4477 4.4990 4.5383 4.6686 4.7092 5.4815 5.4853 5.7494 5.7538 5.9773 6.0264 6.0769 6.0820 6.1402 6.1727 6.3885 6.4089 6.5841 6.5902 8.2026 8.2101 8.2692 8.2784 8.3803 8.3869 8.7762 8.7819 k =-0.0176 0.0226 0.0287 ( 5877 PWs) bands (ev): -7.0957 -7.0957 -6.1493 -6.1493 -6.1382 -6.1382 -6.0838 -6.0828 1.0932 1.0937 1.2920 1.2990 1.5087 1.5131 1.6620 1.6644 1.7800 1.7980 2.0088 2.0465 2.0497 2.0870 2.1507 2.1694 2.2212 2.2499 2.3193 2.3225 2.7351 2.7436 2.9016 2.9327 3.0048 3.0450 3.0491 3.0670 3.4104 3.4173 3.4808 3.4968 3.8905 3.8910 4.0318 4.0358 4.0599 4.0621 4.4544 4.4552 4.5042 4.5369 4.6538 4.6866 5.4763 5.4789 5.7470 5.7499 5.9890 6.0242 6.0844 6.0917 6.1306 6.1584 6.3846 6.3984 6.5800 6.5842 8.2445 8.2514 8.2807 8.2882 8.3898 8.3944 8.7252 8.7298 k =-0.0088 0.0113 0.0143 ( 5885 PWs) bands (ev): -7.0975 -7.0975 -6.1483 -6.1483 -6.1372 -6.1372 -6.0834 -6.0829 1.0905 1.0908 1.2925 1.2960 1.5086 1.5108 1.6646 1.6656 1.7857 1.7946 2.0232 2.0393 2.0675 2.0970 2.1555 2.1736 2.2185 2.2322 2.3082 2.3096 2.7381 2.7424 2.9154 2.9325 3.0190 3.0448 3.0500 3.0549 3.4134 3.4167 3.4824 3.4905 3.8957 3.8958 4.0409 4.0431 4.0487 4.0501 4.4603 4.4612 4.5109 4.5301 4.6492 4.6679 5.4735 5.4748 5.7458 5.7473 6.0002 6.0185 6.0912 6.0978 6.1274 6.1450 6.3835 6.3905 6.5780 6.5801 8.2738 8.2791 8.2898 8.2950 8.3960 8.3984 8.6901 8.6928 k = 0.0000 0.0000 0.0000 ( 5881 PWs) bands (ev): -7.0981 -7.0981 -6.1480 -6.1480 -6.1369 -6.1369 -6.0831 -6.0831 1.0897 1.0897 1.2939 1.2939 1.5093 1.5093 1.6656 1.6656 1.7905 1.7905 2.0320 2.0320 2.0868 2.0868 2.1673 2.1673 2.2216 2.2216 2.3046 2.3046 2.7406 2.7406 2.9262 2.9262 3.0337 3.0337 3.0512 3.0512 3.4155 3.4155 3.4856 3.4856 3.8977 3.8977 4.0441 4.0441 4.0459 4.0459 4.4631 4.4631 4.5202 4.5202 4.6547 4.6547 5.4730 5.4730 5.7459 5.7459 6.0103 6.0103 6.0967 6.0967 6.1335 6.1335 6.3856 6.3856 6.5780 6.5780 8.2846 8.2846 8.2975 8.2975 8.3989 8.3989 8.6781 8.6781 k = 0.0000 0.0000 0.0000 ( 5881 PWs) bands (ev): -7.0981 -7.0981 -6.1480 -6.1480 -6.1369 -6.1369 -6.0831 -6.0831 1.0897 1.0897 1.2939 1.2939 1.5093 1.5093 1.6656 1.6656 1.7905 1.7905 2.0320 2.0320 2.0868 2.0868 2.1673 2.1673 2.2216 2.2216 2.3046 2.3046 2.7406 2.7406 2.9262 2.9262 3.0337 3.0337 3.0512 3.0512 3.4155 3.4155 3.4856 3.4856 3.8977 3.8977 4.0441 4.0441 4.0459 4.0459 4.4631 4.4631 4.5202 4.5202 4.6547 4.6547 5.4730 5.4730 5.7459 5.7459 6.0103 6.0103 6.0967 6.0967 6.1335 6.1335 6.3856 6.3856 6.5780 6.5780 8.2846 8.2846 8.2975 8.2975 8.3989 8.3989 8.6781 8.6781 k = 0.0161 0.0125-0.0000 ( 5889 PWs) bands (ev): -7.0975 -7.0975 -6.1480 -6.1480 -6.1369 -6.1369 -6.0838 -6.0838 1.0887 1.0887 1.2939 1.2939 1.5091 1.5091 1.6658 1.6658 1.7901 1.7901 2.0251 2.0251 2.0868 2.0868 2.1663 2.1663 2.2280 2.2280 2.3059 2.3059 2.7414 2.7414 2.9261 2.9261 3.0336 3.0336 3.0513 3.0513 3.4151 3.4151 3.4833 3.4833 3.9013 3.9013 4.0434 4.0434 4.0462 4.0462 4.4644 4.4644 4.5214 4.5214 4.6554 4.6554 5.4732 5.4732 5.7457 5.7457 6.0114 6.0114 6.0975 6.0975 6.1348 6.1348 6.3846 6.3846 6.5775 6.5775 8.2829 8.2829 8.2956 8.2956 8.3849 8.3849 8.6948 8.6948 k = 0.0323 0.0251-0.0000 ( 5897 PWs) bands (ev): -7.0957 -7.0957 -6.1480 -6.1480 -6.1370 -6.1370 -6.0859 -6.0859 1.0856 1.0856 1.2939 1.2939 1.5085 1.5085 1.6660 1.6660 1.7887 1.7887 2.0075 2.0075 2.0865 2.0865 2.1635 2.1635 2.2435 2.2435 2.3108 2.3108 2.7439 2.7439 2.9258 2.9258 3.0334 3.0334 3.0514 3.0514 3.4141 3.4141 3.4765 3.4765 3.9120 3.9120 4.0418 4.0418 4.0465 4.0465 4.4683 4.4683 4.5250 4.5250 4.6577 4.6577 5.4740 5.4740 5.7449 5.7449 6.0149 6.0149 6.1003 6.1003 6.1385 6.1385 6.3820 6.3820 6.5761 6.5761 8.2775 8.2775 8.2896 8.2896 8.3502 8.3502 8.7375 8.7375 k = 0.0484 0.0376-0.0000 ( 5901 PWs) bands (ev): -7.0927 -7.0927 -6.1480 -6.1480 -6.1371 -6.1371 -6.0895 -6.0895 1.0807 1.0807 1.2937 1.2937 1.5075 1.5075 1.6663 1.6663 1.7862 1.7862 1.9842 1.9842 2.0857 2.0857 2.1590 2.1590 2.2604 2.2605 2.3224 2.3225 2.7480 2.7480 2.9254 2.9254 3.0331 3.0331 3.0517 3.0517 3.4124 3.4124 3.4660 3.4660 3.9289 3.9289 4.0398 4.0398 4.0465 4.0465 4.4748 4.4748 4.5309 4.5309 4.6614 4.6614 5.4754 5.4754 5.7438 5.7438 6.0208 6.0208 6.1049 6.1049 6.1447 6.1447 6.3777 6.3777 6.5738 6.5738 8.2685 8.2685 8.2771 8.2771 8.3084 8.3084 8.7952 8.7952 k = 0.0645 0.0501-0.0000 ( 5885 PWs) bands (ev): -7.0885 -7.0885 -6.1481 -6.1481 -6.1372 -6.1372 -6.0944 -6.0943 1.0743 1.0743 1.2931 1.2931 1.5058 1.5058 1.6668 1.6668 1.7824 1.7824 1.9592 1.9592 2.0846 2.0846 2.1532 2.1532 2.2719 2.2719 2.3439 2.3439 2.7536 2.7536 2.9248 2.9248 3.0329 3.0329 3.0521 3.0521 3.4100 3.4100 3.4526 3.4526 3.9514 3.9514 4.0375 4.0375 4.0462 4.0462 4.4837 4.4837 4.5390 4.5390 4.6667 4.6667 5.4774 5.4774 5.7423 5.7423 6.0289 6.0289 6.1114 6.1114 6.1534 6.1534 6.3717 6.3717 6.5707 6.5707 8.2448 8.2448 8.2565 8.2565 8.2786 8.2786 8.8613 8.8613 k = 0.0806 0.0627-0.0000 ( 5881 PWs) bands (ev): -7.0831 -7.0831 -6.1482 -6.1482 -6.1374 -6.1374 -6.1006 -6.1006 1.0666 1.0666 1.2917 1.2917 1.5034 1.5034 1.6675 1.6675 1.7767 1.7768 1.9349 1.9349 2.0831 2.0831 2.1462 2.1462 2.2773 2.2773 2.3733 2.3733 2.7604 2.7604 2.9241 2.9241 3.0326 3.0327 3.0527 3.0527 3.4070 3.4070 3.4373 3.4373 3.9781 3.9781 4.0351 4.0351 4.0457 4.0457 4.4948 4.4948 4.5491 4.5491 4.6734 4.6734 5.4799 5.4799 5.7404 5.7404 6.0392 6.0392 6.1198 6.1198 6.1643 6.1643 6.3640 6.3640 6.5669 6.5669 8.1976 8.1976 8.2406 8.2406 8.2601 8.2601 8.9327 8.9327 k = 0.0968 0.0752-0.0000 ( 5877 PWs) bands (ev): -7.0766 -7.0766 -6.1482 -6.1482 -6.1377 -6.1377 -6.1083 -6.1083 1.0580 1.0580 1.2894 1.2894 1.5000 1.5000 1.6681 1.6681 1.7688 1.7688 1.9130 1.9131 2.0815 2.0815 2.1386 2.1386 2.2792 2.2792 2.4069 2.4069 2.7683 2.7683 2.9234 2.9234 3.0325 3.0325 3.0533 3.0533 3.4035 3.4035 3.4207 3.4207 4.0079 4.0079 4.0327 4.0327 4.0454 4.0454 4.5079 4.5079 4.5610 4.5610 4.6817 4.6817 5.4830 5.4830 5.7380 5.7380 6.0516 6.0516 6.1300 6.1300 6.1772 6.1772 6.3549 6.3549 6.5626 6.5626 8.1482 8.1482 8.2214 8.2214 8.2408 8.2408 9.0080 9.0080 k = 0.1129 0.0877-0.0000 ( 5877 PWs) bands (ev): -7.0689 -7.0689 -6.1483 -6.1483 -6.1380 -6.1380 -6.1172 -6.1172 1.0490 1.0490 1.2859 1.2859 1.4954 1.4954 1.6687 1.6687 1.7581 1.7581 1.8948 1.8948 2.0800 2.0800 2.1306 2.1306 2.2792 2.2792 2.4422 2.4422 2.7771 2.7771 2.9225 2.9225 3.0325 3.0326 3.0541 3.0541 3.3993 3.3993 3.4034 3.4034 4.0297 4.0297 4.0360 4.0360 4.0503 4.0503 4.5227 4.5227 4.5747 4.5747 4.6914 4.6914 5.4867 5.4867 5.7352 5.7352 6.0661 6.0661 6.1421 6.1421 6.1919 6.1919 6.3443 6.3443 6.5580 6.5580 8.0992 8.0992 8.1989 8.1989 8.2189 8.2189 9.0861 9.0861 k = 0.1290 0.1003-0.0000 ( 5857 PWs) bands (ev): -7.0601 -7.0601 -6.1485 -6.1485 -6.1383 -6.1383 -6.1275 -6.1275 1.0396 1.0396 1.2812 1.2812 1.4895 1.4896 1.6691 1.6691 1.7448 1.7449 1.8806 1.8806 2.0784 2.0784 2.1228 2.1228 2.2780 2.2780 2.4779 2.4779 2.7866 2.7866 2.9218 2.9218 3.0329 3.0329 3.0551 3.0551 3.3859 3.3859 3.3948 3.3948 4.0276 4.0276 4.0402 4.0402 4.0807 4.0807 4.5390 4.5390 4.5899 4.5899 4.7025 4.7025 5.4910 5.4910 5.7320 5.7320 6.0826 6.0826 6.1561 6.1561 6.2078 6.2078 6.3326 6.3326 6.5537 6.5537 8.0513 8.0513 8.1733 8.1733 8.1941 8.1941 9.1666 9.1666 k = 0.1452 0.1128-0.0000 ( 5857 PWs) bands (ev): -7.0501 -7.0501 -6.1486 -6.1486 -6.1392 -6.1391 -6.1385 -6.1385 1.0302 1.0302 1.2750 1.2750 1.4822 1.4822 1.6689 1.6689 1.7298 1.7298 1.8705 1.8705 2.0765 2.0765 2.1156 2.1156 2.2759 2.2759 2.5131 2.5131 2.7965 2.7965 2.9212 2.9212 3.0335 3.0335 3.0563 3.0563 3.3685 3.3685 3.3897 3.3897 4.0255 4.0255 4.0396 4.0396 4.1180 4.1180 4.5566 4.5566 4.6063 4.6063 4.7150 4.7150 5.4958 5.4958 5.7285 5.7285 6.1010 6.1010 6.1716 6.1716 6.2244 6.2244 6.3198 6.3198 6.5500 6.5500 8.0048 8.0048 8.1447 8.1447 8.1665 8.1665 9.2491 9.2491 k = 0.1613 0.1253-0.0000 ( 5861 PWs) bands (ev): -7.0390 -7.0390 -6.1518 -6.1518 -6.1487 -6.1487 -6.1390 -6.1390 1.0209 1.0209 1.2675 1.2675 1.4734 1.4734 1.6668 1.6668 1.7148 1.7148 1.8636 1.8636 2.0737 2.0738 2.1099 2.1099 2.2732 2.2733 2.5472 2.5472 2.8066 2.8066 2.9209 2.9209 3.0345 3.0345 3.0576 3.0576 3.3515 3.3515 3.3843 3.3843 4.0235 4.0235 4.0386 4.0386 4.1574 4.1574 4.5751 4.5751 4.6239 4.6239 4.7288 4.7288 5.5012 5.5012 5.7246 5.7246 6.1210 6.1210 6.1883 6.1883 6.2406 6.2406 6.3068 6.3068 6.5477 6.5477 7.9596 7.9596 8.1132 8.1132 8.1362 8.1362 9.3330 9.3330 k = 0.1774 0.1379-0.0000 ( 5869 PWs) bands (ev): -7.0269 -7.0269 -6.1657 -6.1657 -6.1488 -6.1488 -6.1394 -6.1394 1.0121 1.0121 1.2586 1.2586 1.4633 1.4633 1.6606 1.6606 1.7031 1.7031 1.8593 1.8593 2.0693 2.0693 2.1065 2.1065 2.2703 2.2703 2.5796 2.5796 2.8166 2.8166 2.9212 2.9212 3.0359 3.0359 3.0592 3.0592 3.3349 3.3350 3.3784 3.3784 4.0218 4.0218 4.0375 4.0376 4.1982 4.1982 4.5943 4.5943 4.6424 4.6424 4.7439 4.7439 5.5072 5.5072 5.7204 5.7204 6.1426 6.1426 6.2049 6.2049 6.2554 6.2554 6.2951 6.2951 6.5479 6.5479 7.9159 7.9159 8.0789 8.0789 8.1031 8.1031 9.4182 9.4182 k = 0.1935 0.1504-0.0000 ( 5865 PWs) bands (ev): -7.0137 -7.0137 -6.1809 -6.1809 -6.1490 -6.1490 -6.1399 -6.1399 1.0037 1.0037 1.2484 1.2484 1.4520 1.4520 1.6483 1.6483 1.6972 1.6973 1.8568 1.8568 2.0628 2.0628 2.1056 2.1056 2.2675 2.2675 2.6097 2.6097 2.8266 2.8266 2.9224 2.9224 3.0378 3.0378 3.0611 3.0611 3.3190 3.3190 3.3723 3.3723 4.0205 4.0205 4.0366 4.0366 4.2402 4.2402 4.6141 4.6141 4.6617 4.6617 4.7600 4.7600 5.5138 5.5138 5.7162 5.7162 6.1653 6.1653 6.2176 6.2176 6.2671 6.2671 6.2895 6.2895 6.5517 6.5517 7.8734 7.8734 8.0421 8.0421 8.0676 8.0676 9.5042 9.5042 k = 0.2097 0.1629-0.0000 ( 5873 PWs) bands (ev): -6.9994 -6.9994 -6.1971 -6.1971 -6.1491 -6.1491 -6.1403 -6.1403 0.9959 0.9959 1.2371 1.2371 1.4399 1.4399 1.6315 1.6315 1.6961 1.6961 1.8557 1.8558 2.0546 2.0546 2.1066 2.1067 2.2651 2.2651 2.6367 2.6367 2.8365 2.8365 2.9245 2.9246 3.0401 3.0401 3.0632 3.0632 3.3037 3.3038 3.3659 3.3659 4.0194 4.0194 4.0358 4.0358 4.2830 4.2830 4.6342 4.6342 4.6816 4.6816 4.7772 4.7772 5.5210 5.5210 5.7116 5.7116 6.1882 6.1882 6.2190 6.2190 6.2769 6.2769 6.2956 6.2956 6.5602 6.5602 7.8322 7.8322 8.0028 8.0028 8.0297 8.0297 9.5908 9.5908 k = 0.2258 0.1755-0.0000 ( 5889 PWs) bands (ev): -6.9842 -6.9842 -6.2144 -6.2144 -6.1492 -6.1492 -6.1408 -6.1408 0.9889 0.9889 1.2247 1.2247 1.4272 1.4272 1.6126 1.6126 1.6973 1.6973 1.8556 1.8556 2.0453 2.0454 2.1086 2.1086 2.2637 2.2637 2.6599 2.6599 2.8467 2.8467 2.9280 2.9280 3.0429 3.0430 3.0657 3.0657 3.2893 3.2893 3.3593 3.3593 4.0186 4.0186 4.0351 4.0351 4.3264 4.3264 4.6543 4.6543 4.7018 4.7018 4.7954 4.7954 5.5288 5.5288 5.7071 5.7071 6.2073 6.2073 6.2099 6.2099 6.2885 6.2885 6.3121 6.3121 6.5740 6.5740 7.7920 7.7920 7.9612 7.9612 7.9895 7.9895 9.6777 9.6777 k = 0.2419 0.1880-0.0000 ( 5877 PWs) bands (ev): -6.9680 -6.9680 -6.2326 -6.2326 -6.1493 -6.1493 -6.1413 -6.1413 0.9827 0.9827 1.2114 1.2115 1.4143 1.4143 1.5928 1.5928 1.6999 1.6999 1.8562 1.8562 2.0355 2.0355 2.1105 2.1105 2.2639 2.2639 2.6785 2.6785 2.8576 2.8576 2.9327 2.9328 3.0462 3.0462 3.0686 3.0686 3.2756 3.2756 3.3525 3.3525 4.0183 4.0183 4.0347 4.0347 4.3703 4.3703 4.6743 4.6743 4.7221 4.7221 4.8145 4.8145 5.5372 5.5372 5.7027 5.7027 6.1907 6.1907 6.2243 6.2243 6.3024 6.3024 6.3366 6.3366 6.5935 6.5935 7.7528 7.7528 7.9176 7.9176 7.9473 7.9473 9.7645 9.7645 k = 0.2581 0.2005-0.0000 ( 5873 PWs) bands (ev): -6.9508 -6.9508 -6.2519 -6.2519 -6.1494 -6.1494 -6.1418 -6.1418 0.9774 0.9774 1.1975 1.1975 1.4015 1.4015 1.5728 1.5728 1.7032 1.7032 1.8574 1.8574 2.0252 2.0253 2.1115 2.1115 2.2663 2.2663 2.6917 2.6917 2.8699 2.8699 2.9386 2.9386 3.0498 3.0498 3.0718 3.0719 3.2627 3.2627 3.3456 3.3456 4.0182 4.0182 4.0344 4.0344 4.4144 4.4144 4.6940 4.6940 4.7421 4.7421 4.8343 4.8343 5.5464 5.5464 5.6985 5.6985 6.1705 6.1705 6.2286 6.2286 6.3231 6.3231 6.3661 6.3661 6.6180 6.6180 7.7144 7.7144 7.8719 7.8719 7.9031 7.9031 9.8508 9.8508 k = 0.2742 0.2131-0.0000 ( 5873 PWs) bands (ev): -6.9328 -6.9328 -6.2720 -6.2720 -6.1495 -6.1495 -6.1423 -6.1423 0.9729 0.9729 1.1831 1.1831 1.3891 1.3891 1.5528 1.5528 1.7073 1.7073 1.8590 1.8590 2.0149 2.0149 2.1109 2.1110 2.2713 2.2713 2.6993 2.6993 2.8837 2.8837 2.9453 2.9453 3.0536 3.0537 3.0756 3.0756 3.2506 3.2506 3.3385 3.3385 4.0184 4.0184 4.0342 4.0342 4.4585 4.4585 4.7132 4.7132 4.7615 4.7615 4.8548 4.8548 5.5561 5.5561 5.6948 5.6948 6.1485 6.1485 6.2225 6.2225 6.3514 6.3514 6.3989 6.3989 6.6467 6.6467 7.6767 7.6767 7.8245 7.8245 7.8571 7.8571 9.9363 9.9363 k = 0.2903 0.2256-0.0000 ( 5873 PWs) bands (ev): -6.9139 -6.9139 -6.2929 -6.2929 -6.1496 -6.1496 -6.1429 -6.1429 0.9694 0.9694 1.1683 1.1683 1.3773 1.3773 1.5330 1.5330 1.7119 1.7119 1.8608 1.8608 2.0045 2.0045 2.1085 2.1085 2.2791 2.2791 2.7017 2.7017 2.8988 2.8988 2.9526 2.9526 3.0576 3.0576 3.0799 3.0799 3.2394 3.2394 3.3312 3.3313 4.0188 4.0188 4.0341 4.0341 4.5024 4.5024 4.7318 4.7318 4.7802 4.7802 4.8758 4.8758 5.5665 5.5665 5.6917 5.6917 6.1253 6.1253 6.2092 6.2092 6.3848 6.3848 6.4343 6.4343 6.6788 6.6788 7.6394 7.6394 7.7756 7.7756 7.8096 7.8096 10.0208 10.0208 k = 0.3065 0.2382-0.0000 ( 5861 PWs) bands (ev): -6.8942 -6.8942 -6.3147 -6.3147 -6.1497 -6.1497 -6.1434 -6.1434 0.9668 0.9668 1.1534 1.1534 1.3663 1.3663 1.5135 1.5135 1.7171 1.7171 1.8627 1.8627 1.9945 1.9946 2.1042 2.1042 2.2897 2.2897 2.6996 2.6996 2.9148 2.9148 2.9602 2.9602 3.0616 3.0616 3.0848 3.0848 3.2289 3.2289 3.3239 3.3239 4.0195 4.0195 4.0342 4.0342 4.5459 4.5459 4.7496 4.7496 4.7978 4.7978 4.8970 4.8970 5.5776 5.5776 5.6896 5.6896 6.1012 6.1012 6.1909 6.1909 6.4220 6.4220 6.4722 6.4722 6.7136 6.7136 7.6025 7.6025 7.7253 7.7253 7.7606 7.7606 10.1037 10.1037 k = 0.3226 0.2507-0.0000 ( 5865 PWs) bands (ev): -6.8737 -6.8737 -6.3371 -6.3371 -6.1497 -6.1497 -6.1439 -6.1439 0.9652 0.9652 1.1385 1.1385 1.3562 1.3562 1.4944 1.4944 1.7227 1.7227 1.8645 1.8645 1.9851 1.9851 2.0981 2.0981 2.3026 2.3026 2.6937 2.6937 2.9309 2.9309 2.9677 2.9678 3.0656 3.0656 3.0904 3.0904 3.2193 3.2193 3.3163 3.3163 4.0204 4.0204 4.0343 4.0343 4.5887 4.5887 4.7665 4.7665 4.8142 4.8142 4.9180 4.9180 5.5893 5.5893 5.6886 5.6886 6.0762 6.0762 6.1690 6.1690 6.4619 6.4619 6.5121 6.5121 6.7502 6.7502 7.5658 7.5658 7.6738 7.6738 7.7105 7.7105 10.1849 10.1849 k = 0.3387 0.2632-0.0000 ( 5873 PWs) bands (ev): -6.8524 -6.8524 -6.3602 -6.3602 -6.1498 -6.1498 -6.1444 -6.1444 0.9645 0.9645 1.1238 1.1238 1.3474 1.3474 1.4758 1.4758 1.7288 1.7288 1.8658 1.8658 1.9764 1.9764 2.0905 2.0905 2.3176 2.3176 2.6849 2.6849 2.9465 2.9465 2.9751 2.9751 3.0694 3.0695 3.0965 3.0965 3.2106 3.2106 3.3085 3.3085 4.0215 4.0215 4.0345 4.0345 4.6305 4.6305 4.7823 4.7823 4.8293 4.8293 4.9382 4.9383 5.6017 5.6017 5.6893 5.6893 6.0507 6.0507 6.1444 6.1444 6.5040 6.5040 6.5539 6.5539 6.7881 6.7881 7.5289 7.5289 7.6215 7.6215 7.6594 7.6594 10.2639 10.2639 k = 0.3548 0.2758-0.0000 ( 5885 PWs) bands (ev): -6.8305 -6.8305 -6.3838 -6.3838 -6.1498 -6.1498 -6.1449 -6.1449 0.9647 0.9647 1.1093 1.1093 1.3398 1.3398 1.4579 1.4579 1.7353 1.7353 1.8663 1.8663 1.9691 1.9691 2.0819 2.0819 2.3343 2.3343 2.6737 2.6737 2.9611 2.9611 2.9822 2.9822 3.0733 3.0733 3.1031 3.1031 3.2029 3.2029 3.3006 3.3006 4.0227 4.0227 4.0347 4.0347 4.6709 4.6709 4.7971 4.7971 4.8433 4.8433 4.9572 4.9572 5.6146 5.6146 5.6921 5.6921 6.0247 6.0247 6.1176 6.1176 6.5481 6.5481 6.5976 6.5976 6.8269 6.8269 7.4917 7.4917 7.5685 7.5685 7.6076 7.6076 10.3405 10.3405 k = 0.3710 0.2883-0.0000 ( 5897 PWs) bands (ev): -6.8079 -6.8079 -6.4080 -6.4080 -6.1498 -6.1498 -6.1454 -6.1454 0.9658 0.9658 1.0953 1.0953 1.3335 1.3335 1.4406 1.4406 1.7423 1.7423 1.8656 1.8656 1.9636 1.9636 2.0724 2.0724 2.3522 2.3522 2.6604 2.6604 2.9744 2.9744 2.9888 2.9888 3.0771 3.0771 3.1098 3.1098 3.1963 3.1963 3.2925 3.2925 4.0239 4.0239 4.0349 4.0349 4.7096 4.7096 4.8107 4.8107 4.8562 4.8562 4.9741 4.9741 5.6283 5.6283 5.6971 5.6971 5.9985 5.9985 6.0892 6.0892 6.5939 6.5939 6.6426 6.6426 6.8664 6.8664 7.4537 7.4537 7.5155 7.5155 7.5555 7.5555 10.4143 10.4143 k = 0.3871 0.3008-0.0000 ( 5897 PWs) bands (ev): -6.7848 -6.7848 -6.4325 -6.4325 -6.1497 -6.1497 -6.1459 -6.1459 0.9679 0.9679 1.0818 1.0818 1.3288 1.3288 1.4242 1.4242 1.7497 1.7497 1.8633 1.8633 1.9602 1.9602 2.0624 2.0624 2.3712 2.3712 2.6456 2.6456 2.9860 2.9860 2.9950 2.9950 3.0811 3.0811 3.1161 3.1161 3.1912 3.1912 3.2841 3.2841 4.0253 4.0253 4.0350 4.0350 4.7459 4.7459 4.8231 4.8231 4.8684 4.8684 4.9884 4.9884 5.6428 5.6428 5.7048 5.7048 5.9722 5.9722 6.0595 6.0595 6.6411 6.6411 6.6889 6.6889 6.9062 6.9062 7.4144 7.4144 7.4628 7.4628 7.5036 7.5036 10.4850 10.4850 k = 0.4032 0.3134-0.0000 ( 5905 PWs) bands (ev): -6.7611 -6.7611 -6.4575 -6.4575 -6.1496 -6.1496 -6.1463 -6.1463 0.9708 0.9708 1.0688 1.0688 1.3256 1.3256 1.4087 1.4087 1.7575 1.7575 1.8593 1.8593 1.9592 1.9592 2.0520 2.0520 2.3908 2.3909 2.6294 2.6294 2.9958 2.9958 3.0005 3.0005 3.0852 3.0852 3.1215 3.1215 3.1882 3.1882 3.2755 3.2755 4.0266 4.0266 4.0351 4.0351 4.7789 4.7789 4.8341 4.8341 4.8804 4.8805 4.9994 4.9994 5.6582 5.6582 5.7152 5.7152 5.9459 5.9459 6.0289 6.0289 6.6895 6.6895 6.7362 6.7362 6.9460 6.9460 7.3727 7.3727 7.4114 7.4114 7.4525 7.4525 10.5524 10.5525 k = 0.4194 0.3259-0.0000 ( 5901 PWs) bands (ev): -6.7370 -6.7370 -6.4828 -6.4828 -6.1495 -6.1495 -6.1468 -6.1468 0.9746 0.9746 1.0565 1.0565 1.3240 1.3240 1.3943 1.3943 1.7657 1.7657 1.8535 1.8535 1.9606 1.9606 2.0415 2.0415 2.4111 2.4111 2.6122 2.6122 3.0038 3.0038 3.0055 3.0055 3.0896 3.0896 3.1250 3.1251 3.1877 3.1877 3.2667 3.2667 4.0279 4.0279 4.0351 4.0351 4.8075 4.8075 4.8437 4.8438 4.8933 4.8933 5.0067 5.0067 5.6748 5.6748 5.7283 5.7283 5.9199 5.9199 5.9979 5.9979 6.7386 6.7386 6.7838 6.7838 6.9858 6.9858 7.3280 7.3281 7.3619 7.3619 7.4032 7.4032 10.6163 10.6163 k = 0.4355 0.3384-0.0000 ( 5893 PWs) bands (ev): -6.7124 -6.7124 -6.5083 -6.5083 -6.1494 -6.1494 -6.1472 -6.1472 0.9792 0.9792 1.0449 1.0449 1.3241 1.3241 1.3809 1.3809 1.7742 1.7742 1.8464 1.8464 1.9641 1.9641 2.0310 2.0310 2.4317 2.4317 2.5941 2.5941 3.0097 3.0097 3.0100 3.0101 3.0943 3.0943 3.1263 3.1263 3.1902 3.1902 3.2576 3.2576 4.0292 4.0292 4.0350 4.0350 4.8302 4.8302 4.8518 4.8518 4.9082 4.9082 5.0097 5.0098 5.6927 5.6927 5.7437 5.7437 5.8947 5.8947 5.9669 5.9669 6.7879 6.7879 6.8310 6.8310 7.0253 7.0253 7.2811 7.2811 7.3140 7.3140 7.3566 7.3566 10.6763 10.6763 k = 0.4516 0.3510-0.0000 ( 5901 PWs) bands (ev): -6.6875 -6.6875 -6.5339 -6.5339 -6.1492 -6.1492 -6.1476 -6.1476 0.9846 0.9846 1.0339 1.0339 1.3257 1.3257 1.3688 1.3688 1.7831 1.7831 1.8382 1.8382 1.9692 1.9692 2.0207 2.0207 2.4526 2.4526 2.5751 2.5751 3.0133 3.0133 3.0144 3.0144 3.0991 3.0992 3.1252 3.1253 3.1954 3.1954 3.2484 3.2484 4.0303 4.0303 4.0347 4.0347 4.8461 4.8461 4.8582 4.8582 4.9255 4.9255 5.0084 5.0084 5.7118 5.7118 5.7604 5.7604 5.8711 5.8711 5.9363 5.9363 6.8364 6.8364 6.8761 6.8761 7.0640 7.0640 7.2347 7.2347 7.2675 7.2675 7.3130 7.3130 10.7321 10.7321 k = 0.4677 0.3635-0.0000 ( 5901 PWs) bands (ev): -6.6623 -6.6623 -6.5597 -6.5597 -6.1490 -6.1490 -6.1479 -6.1479 0.9909 0.9909 1.0238 1.0238 1.3290 1.3290 1.3579 1.3579 1.7922 1.7922 1.8294 1.8294 1.9757 1.9757 2.0106 2.0106 2.4735 2.4735 2.5555 2.5556 3.0160 3.0160 3.0172 3.0172 3.1042 3.1042 3.1225 3.1225 3.2026 3.2026 3.2390 3.2390 4.0314 4.0314 4.0343 4.0343 4.8562 4.8562 4.8626 4.8626 4.9444 4.9444 5.0028 5.0028 5.7320 5.7320 5.7757 5.7757 5.8517 5.8517 5.9069 5.9069 6.8822 6.8822 6.9158 6.9158 7.1011 7.1011 7.1933 7.1933 7.2244 7.2244 7.2721 7.2722 10.7835 10.7835 k = 0.4839 0.3760-0.0000 ( 5901 PWs) bands (ev): -6.6368 -6.6368 -6.5854 -6.5854 -6.1488 -6.1488 -6.1482 -6.1482 0.9979 0.9979 1.0144 1.0144 1.3339 1.3339 1.3485 1.3485 1.8014 1.8014 1.8202 1.8202 1.9833 1.9833 2.0009 2.0009 2.4943 2.4943 2.5355 2.5355 3.0179 3.0179 3.0186 3.0187 3.1092 3.1092 3.1186 3.1186 3.2110 3.2110 3.2295 3.2295 4.0323 4.0323 4.0338 4.0338 4.8620 4.8620 4.8648 4.8648 4.9629 4.9629 4.9930 4.9930 5.7525 5.7525 5.7817 5.7817 5.8446 5.8446 5.8796 5.8796 6.9213 6.9213 6.9426 6.9426 7.1320 7.1320 7.1642 7.1642 7.1933 7.1933 7.2338 7.2338 10.8302 10.8302 k = 0.5000 0.3886-0.0000 ( 5902 PWs) bands (ev): -6.6112 -6.6112 -6.6112 -6.6112 -6.1485 -6.1485 -6.1485 -6.1485 1.0058 1.0058 1.0058 1.0058 1.3404 1.3404 1.3404 1.3404 1.8108 1.8108 1.8108 1.8108 1.9918 1.9918 1.9918 1.9918 2.5150 2.5150 2.5151 2.5151 3.0188 3.0188 3.0189 3.0189 3.1141 3.1141 3.1141 3.1141 3.2201 3.2201 3.2201 3.2201 4.0332 4.0332 4.0332 4.0332 4.8647 4.8647 4.8647 4.8647 4.9795 4.9795 4.9795 4.9795 5.7711 5.7711 5.7711 5.7711 5.8567 5.8567 5.8567 5.8567 6.9450 6.9450 6.9450 6.9450 7.1475 7.1475 7.1476 7.1476 7.2007 7.2007 7.2007 7.2007 10.8716 10.8716 k = 0.5000 0.3886-0.0000 ( 5902 PWs) bands (ev): -6.6112 -6.6112 -6.6112 -6.6112 -6.1485 -6.1485 -6.1485 -6.1485 1.0058 1.0058 1.0058 1.0058 1.3404 1.3404 1.3404 1.3404 1.8108 1.8108 1.8108 1.8108 1.9918 1.9918 1.9918 1.9918 2.5150 2.5150 2.5151 2.5151 3.0188 3.0188 3.0189 3.0189 3.1141 3.1141 3.1141 3.1141 3.2201 3.2201 3.2201 3.2201 4.0332 4.0332 4.0332 4.0332 4.8647 4.8647 4.8647 4.8647 4.9795 4.9795 4.9795 4.9795 5.7711 5.7711 5.7711 5.7711 5.8567 5.8567 5.8567 5.8567 6.9450 6.9450 6.9450 6.9450 7.1475 7.1475 7.1476 7.1476 7.2007 7.2007 7.2007 7.2007 10.8716 10.8716 k = 0.4913 0.3998 0.0142 ( 5898 PWs) bands (ev): -6.6110 -6.6109 -6.6109 -6.6107 -6.1492 -6.1492 -6.1487 -6.1482 1.0042 1.0052 1.0068 1.0084 1.3393 1.3394 1.3421 1.3423 1.8082 1.8088 1.8130 1.8141 1.9870 1.9908 1.9926 1.9966 2.5109 2.5120 2.5170 2.5189 2.9919 3.0140 3.0227 3.0422 3.0899 3.1130 3.1142 3.1385 3.2156 3.2187 3.2222 3.2237 4.0295 4.0324 4.0326 4.0392 4.8560 4.8605 4.8655 4.8692 4.9749 4.9765 4.9831 4.9876 5.7699 5.7722 5.7737 5.7751 5.8555 5.8561 5.8575 5.8580 6.9344 6.9406 6.9446 6.9461 7.1191 7.1407 7.1484 7.1682 7.1871 7.2015 7.2101 7.2285 10.8711 10.8725 k = 0.4825 0.4110 0.0284 ( 5890 PWs) bands (ev): -6.6105 -6.6101 -6.6100 -6.6096 -6.1513 -6.1511 -6.1488 -6.1478 1.0035 1.0053 1.0081 1.0123 1.3388 1.3390 1.3445 1.3449 1.8062 1.8071 1.8153 1.8182 1.9824 1.9896 1.9934 2.0015 2.5065 2.5080 2.5180 2.5224 2.9632 3.0080 3.0254 3.0480 3.0790 3.1121 3.1132 3.1614 3.2099 3.2174 3.2254 3.2278 4.0272 4.0305 4.0316 4.0479 4.8417 4.8490 4.8657 4.8723 4.9742 4.9748 4.9875 4.9979 5.7690 5.7744 5.7813 5.7845 5.8540 5.8563 5.8581 5.8603 6.9157 6.9289 6.9401 6.9402 7.0895 7.1197 7.1502 7.1659 7.2065 7.2097 7.2312 7.2593 10.8722 10.8737 k = 0.4738 0.4222 0.0427 ( 5882 PWs) bands (ev): -6.6095 -6.6090 -6.6084 -6.6077 -6.1546 -6.1544 -6.1488 -6.1473 1.0034 1.0064 1.0098 1.0174 1.3391 1.3393 1.3475 1.3483 1.8048 1.8056 1.8177 1.8228 1.9777 1.9883 1.9942 2.0066 2.5019 2.5029 2.5181 2.5256 2.9329 3.0000 3.0260 3.0266 3.0877 3.1113 3.1169 3.1814 3.2029 3.2149 3.2295 3.2342 4.0236 4.0270 4.0333 4.0588 4.8226 4.8295 4.8664 4.8755 4.9725 4.9781 4.9931 5.0092 5.7683 5.7765 5.7941 5.7983 5.8524 5.8575 5.8586 5.8643 6.8919 6.9094 6.9303 6.9321 7.0599 7.0926 7.1515 7.1603 7.2247 7.2335 7.2591 7.2912 10.8746 10.8758 k = 0.4651 0.4335 0.0569 ( 5868 PWs) bands (ev): -6.6081 -6.6074 -6.6060 -6.6052 -6.1592 -6.1590 -6.1487 -6.1467 1.0036 1.0087 1.0118 1.0237 1.3402 1.3402 1.3513 1.3525 1.8039 1.8043 1.8201 1.8280 1.9731 1.9870 1.9950 2.0120 2.4967 2.4969 2.5172 2.5285 2.9013 2.9848 3.0045 3.0261 3.0880 3.1093 3.1324 3.1949 3.1966 3.2117 3.2344 3.2445 4.0182 4.0220 4.0381 4.0720 4.7992 4.8035 4.8677 4.8793 4.9712 4.9830 5.0006 5.0212 5.7672 5.7783 5.8103 5.8144 5.8513 5.8589 5.8613 5.8714 6.8652 6.8846 6.9175 6.9206 7.0306 7.0644 7.1507 7.1537 7.2458 7.2629 7.2895 7.3234 10.8782 10.8806 k = 0.4564 0.4447 0.0711 ( 5866 PWs) bands (ev): -6.6063 -6.6054 -6.6030 -6.6020 -6.1651 -6.1648 -6.1485 -6.1460 1.0041 1.0121 1.0141 1.0311 1.3418 1.3420 1.3557 1.3575 1.8032 1.8033 1.8225 1.8334 1.9686 1.9856 1.9959 2.0176 2.4896 2.4918 2.5154 2.5310 2.8684 2.9570 2.9925 3.0232 3.0827 3.1076 3.1519 3.1864 3.2001 3.2141 3.2398 3.2589 4.0113 4.0155 4.0455 4.0870 4.7723 4.7725 4.8695 4.8834 4.9703 4.9879 5.0103 5.0336 5.7653 5.7790 5.8264 5.8282 5.8521 5.8603 5.8698 5.8841 6.8370 6.8570 6.9018 6.9060 7.0018 7.0363 7.1460 7.1479 7.2708 7.2935 7.3205 7.3556 10.8830 10.8869 k = 0.4476 0.4559 0.0853 ( 5862 PWs) bands (ev): -6.6042 -6.6031 -6.5994 -6.5982 -6.1722 -6.1718 -6.1482 -6.1452 1.0051 1.0165 1.0167 1.0395 1.3441 1.3447 1.3609 1.3635 1.8023 1.8028 1.8249 1.8388 1.9644 1.9845 1.9970 2.0234 2.4815 2.4864 2.5128 2.5332 2.8343 2.9246 2.9831 3.0179 3.0755 3.1069 3.1678 3.1813 3.1935 3.2220 3.2456 3.2762 4.0032 4.0078 4.0552 4.1035 4.7376 4.7425 4.8719 4.8879 4.9695 4.9922 5.0222 5.0467 5.7623 5.7781 5.8344 5.8373 5.8575 5.8635 5.8872 5.9049 6.8085 6.8281 6.8836 6.8884 6.9735 7.0087 7.1379 7.1435 7.2979 7.3245 7.3516 7.3875 10.8889 10.8944 k = 0.4389 0.4672 0.0995 ( 5866 PWs) bands (ev): -6.6017 -6.6005 -6.5950 -6.5936 -6.1805 -6.1799 -6.1478 -6.1443 1.0065 1.0197 1.0219 1.0489 1.3472 1.3485 1.3669 1.3704 1.8015 1.8021 1.8272 1.8438 1.9608 1.9837 1.9983 2.0294 2.4724 2.4808 2.5094 2.5350 2.7991 2.8902 2.9733 3.0101 3.0671 3.1073 3.1639 3.1842 3.1954 3.2296 3.2516 3.2947 3.9939 3.9988 4.0669 4.1214 4.6997 4.7104 4.8747 4.8925 4.9688 4.9959 5.0357 5.0604 5.7580 5.7753 5.8348 5.8420 5.8663 5.8696 5.9130 5.9326 6.7802 6.7989 6.8630 6.8682 6.9457 6.9817 7.1297 7.1383 7.3258 7.3553 7.3823 7.4188 10.8957 10.9029 k = 0.4302 0.4784 0.1138 ( 5866 PWs) bands (ev): -6.5989 -6.5976 -6.5901 -6.5885 -6.1897 -6.1892 -6.1473 -6.1433 1.0084 1.0230 1.0282 1.0590 1.3510 1.3534 1.3737 1.3785 1.8008 1.8009 1.8294 1.8479 1.9583 1.9835 2.0000 2.0357 2.4623 2.4751 2.5052 2.5365 2.7629 2.8544 2.9628 2.9999 3.0580 3.1088 3.1548 3.1736 3.2140 3.2368 3.2579 3.3134 3.9838 3.9889 4.0803 4.1401 4.6596 4.6765 4.8776 4.8970 4.9679 4.9989 5.0505 5.0746 5.7522 5.7706 5.8332 5.8433 5.8764 5.8783 5.9438 5.9647 6.7526 6.7701 6.8406 6.8457 6.9186 6.9555 7.1217 7.1329 7.3536 7.3854 7.4123 7.4493 10.9031 10.9122 k = 0.4215 0.4896 0.1280 ( 5862 PWs) bands (ev): -6.5960 -6.5945 -6.5845 -6.5827 -6.2000 -6.1993 -6.1467 -6.1422 1.0108 1.0268 1.0352 1.0698 1.3557 1.3595 1.3812 1.3877 1.7989 1.8003 1.8317 1.8505 1.9574 1.9840 2.0018 2.0421 2.4515 2.4693 2.5002 2.5376 2.7259 2.8175 2.9514 2.9878 3.0485 3.1113 3.1456 3.1619 3.2322 3.2438 3.2643 3.3320 3.9730 3.9782 4.0951 4.1596 4.6178 4.6412 4.8807 4.9014 4.9666 5.0012 5.0663 5.0894 5.7452 5.7640 5.8311 5.8433 5.8874 5.8892 5.9776 5.9997 6.7262 6.7422 6.8167 6.8215 6.8921 6.9299 7.1147 7.1280 7.3807 7.4142 7.4414 7.4786 10.9109 10.9216 k = 0.4127 0.5008 0.1422 ( 5866 PWs) bands (ev): -6.5928 -6.5912 -6.5782 -6.5763 -6.2111 -6.2104 -6.1459 -6.1411 1.0138 1.0310 1.0429 1.0811 1.3612 1.3671 1.3897 1.3982 1.7958 1.7997 1.8338 1.8508 1.9585 1.9853 2.0040 2.0486 2.4399 2.4634 2.4942 2.5385 2.6885 2.7797 2.9390 2.9740 3.0387 3.1143 3.1368 3.1496 3.2493 3.2506 3.2711 3.3502 3.9616 3.9667 4.1109 4.1795 4.5748 4.6050 4.8837 4.9054 4.9646 5.0026 5.0828 5.1046 5.7372 5.7561 5.8287 5.8427 5.8991 5.9014 6.0131 6.0364 6.7013 6.7154 6.7917 6.7957 6.8664 6.9052 7.1087 7.1238 7.4068 7.4415 7.4693 7.5067 10.9184 10.9305 k = 0.4040 0.5121 0.1564 ( 5862 PWs) bands (ev): -6.5897 -6.5879 -6.5714 -6.5692 -6.2230 -6.2222 -6.1451 -6.1398 1.0174 1.0357 1.0510 1.0927 1.3677 1.3763 1.3989 1.4099 1.7916 1.7990 1.8360 1.8488 1.9620 1.9876 2.0064 2.0553 2.4275 2.4575 2.4871 2.5391 2.6511 2.7412 2.9256 2.9589 3.0287 3.1175 3.1288 3.1373 3.2575 3.2645 3.2791 3.3679 3.9499 3.9548 4.1276 4.1997 4.5311 4.5683 4.8864 4.9088 4.9616 5.0028 5.0998 5.1200 5.7285 5.7472 5.8263 5.8418 5.9113 5.9144 6.0498 6.0741 6.6780 6.6900 6.7661 6.7692 6.8418 6.8814 7.1044 7.1210 7.4312 7.4669 7.4957 7.5331 10.9250 10.9379 k = 0.3953 0.5233 0.1706 ( 5870 PWs) bands (ev): -6.5865 -6.5847 -6.5640 -6.5617 -6.2355 -6.2345 -6.1443 -6.1385 1.0216 1.0409 1.0597 1.1044 1.3751 1.3872 1.4090 1.4229 1.7860 1.7982 1.8382 1.8443 1.9676 1.9907 2.0090 2.0619 2.4144 2.4516 2.4781 2.5394 2.6146 2.7023 2.9112 2.9426 3.0187 3.1181 3.1216 3.1277 3.2642 3.2758 3.2900 3.3850 3.9380 3.9426 4.1448 4.2197 4.4868 4.5313 4.8885 4.9113 4.9573 5.0016 5.1170 5.1355 5.7195 5.7376 5.8240 5.8409 5.9236 5.9278 6.0870 6.1124 6.6564 6.6660 6.7408 6.7425 6.8182 6.8586 7.1021 7.1198 7.4537 7.4901 7.5205 7.5577 10.9300 10.9432 k = 0.3866 0.5345 0.1849 ( 5866 PWs) bands (ev): -6.5836 -6.5817 -6.5560 -6.5535 -6.2483 -6.2473 -6.1433 -6.1372 1.0264 1.0467 1.0686 1.1160 1.3835 1.3999 1.4200 1.4372 1.7793 1.7973 1.8378 1.8402 1.9752 1.9947 2.0119 2.0686 2.4006 2.4457 2.4660 2.5393 2.5805 2.6633 2.8959 2.9256 3.0087 3.1086 3.1152 3.1285 3.2709 3.2834 3.3036 3.4016 3.9262 3.9302 4.1624 4.2396 4.4424 4.4944 4.8900 4.9129 4.9516 4.9988 5.1341 5.1508 5.7105 5.7277 5.8217 5.8401 5.9356 5.9409 6.1245 6.1509 6.6363 6.6431 6.7166 6.7167 6.7960 6.8369 7.1021 7.1206 7.4740 7.5109 7.5434 7.5803 10.9331 10.9460 k = 0.3778 0.5458 0.1991 ( 5866 PWs) bands (ev): -6.5810 -6.5790 -6.5475 -6.5449 -6.2614 -6.2602 -6.1422 -6.1357 1.0320 1.0531 1.0779 1.1276 1.3929 1.4144 1.4319 1.4527 1.7715 1.7961 1.8296 1.8421 1.9839 1.9994 2.0150 2.0751 2.3860 2.4387 2.4495 2.5389 2.5515 2.6249 2.8798 2.9078 2.9988 3.0963 3.1098 3.1324 3.2775 3.2897 3.3177 3.4176 3.9145 3.9179 4.1801 4.2591 4.3981 4.4578 4.8905 4.9131 4.9440 4.9941 5.1510 5.1658 5.7019 5.7179 5.8197 5.8396 5.9468 5.9533 6.1619 6.1893 6.6168 6.6207 6.6933 6.6950 6.7754 6.8166 7.1044 7.1237 7.4918 7.5290 7.5642 7.6005 10.9339 10.9462 k = 0.3691 0.5570 0.2133 ( 5870 PWs) bands (ev): -6.5790 -6.5770 -6.5385 -6.5357 -6.2744 -6.2731 -6.1411 -6.1342 1.0383 1.0602 1.0874 1.1389 1.4032 1.4306 1.4448 1.4694 1.7630 1.7946 1.8201 1.8437 1.9934 2.0046 2.0185 2.0816 2.3703 2.4201 2.4373 2.5298 2.5374 2.5881 2.8629 2.8894 2.9892 3.0840 3.1051 3.1368 3.2839 3.2951 3.3314 3.4329 3.9032 3.9059 4.1977 4.2779 4.3541 4.4217 4.8899 4.9119 4.9346 4.9873 5.1673 5.1801 5.6938 5.7085 5.8179 5.8394 5.9566 5.9642 6.1989 6.2274 6.5966 6.5978 6.6743 6.6776 6.7565 6.7978 7.1094 7.1293 7.5069 7.5441 7.5827 7.6182 10.9325 10.9440 k = 0.3604 0.5682 0.2275 ( 5870 PWs) bands (ev): -6.5778 -6.5757 -6.5290 -6.5260 -6.2871 -6.2856 -6.1398 -6.1326 1.0453 1.0679 1.0971 1.1499 1.4146 1.4479 1.4591 1.4868 1.7540 1.7924 1.8099 1.8450 2.0027 2.0101 2.0227 2.0880 2.3534 2.3879 2.4316 2.5153 2.5307 2.5579 2.8454 2.8706 2.9800 3.0720 3.1011 3.1412 3.2902 3.3001 3.3444 3.4476 3.8924 3.8943 4.2148 4.2958 4.3109 4.3866 4.8878 4.9090 4.9231 4.9783 5.1828 5.1935 5.6867 5.6998 5.8164 5.8395 5.9647 5.9733 6.2352 6.2648 6.5736 6.5743 6.6619 6.6659 6.7396 6.7807 7.1171 7.1374 7.5191 7.5562 7.5988 7.6334 10.9290 10.9395 k = 0.3517 0.5794 0.2417 ( 5874 PWs) bands (ev): -6.5776 -6.5756 -6.5191 -6.5159 -6.2991 -6.2974 -6.1385 -6.1310 1.0531 1.0763 1.1071 1.1608 1.4269 1.4651 1.4758 1.5048 1.7450 1.7888 1.8002 1.8458 2.0106 2.0156 2.0285 2.0943 2.3346 2.3501 2.4269 2.5061 2.5076 2.5468 2.8274 2.8516 2.9711 3.0605 3.0978 3.1457 3.2963 3.3046 3.3568 3.4616 3.8823 3.8832 4.2300 4.2698 4.3110 4.3542 4.8837 4.9040 4.9099 4.9670 5.1973 5.2059 5.6808 5.6921 5.8151 5.8401 5.9707 5.9800 6.2705 6.3015 6.5482 6.5496 6.6566 6.6602 6.7250 6.7656 7.1275 7.1483 7.5283 7.5649 7.6124 7.6458 10.9232 10.9328 k = 0.3429 0.5907 0.2560 ( 5870 PWs) bands (ev): -6.5788 -6.5769 -6.5087 -6.5054 -6.3101 -6.3082 -6.1372 -6.1294 1.0616 1.0854 1.1174 1.1714 1.4402 1.4812 1.4957 1.5227 1.7366 1.7813 1.7936 1.8463 2.0162 2.0210 2.0366 2.1005 2.3093 2.3134 2.4229 2.4787 2.5002 2.5450 2.8089 2.8324 2.9627 3.0496 3.0951 3.1501 3.3022 3.3087 3.3684 3.4750 3.8728 3.8731 4.2201 4.2543 4.3079 4.3402 4.8761 4.8963 4.8967 4.9535 5.2105 5.2170 5.6764 5.6857 5.8142 5.8412 5.9744 5.9842 6.3046 6.3371 6.5220 6.5232 6.6582 6.6604 6.7132 6.7525 7.1407 7.1618 7.5342 7.5702 7.6235 7.6555 10.9151 10.9238 k = 0.3342 0.6019 0.2702 ( 5868 PWs) bands (ev): -6.5817 -6.5799 -6.4979 -6.4945 -6.3197 -6.3176 -6.1357 -6.1276 1.0710 1.0953 1.1279 1.1820 1.4544 1.4967 1.5176 1.5396 1.7295 1.7702 1.7900 1.8463 2.0195 2.0259 2.0463 2.1068 2.2669 2.2894 2.4195 2.4526 2.4966 2.5450 2.7901 2.8133 2.9548 3.0395 3.0928 3.1544 3.3078 3.3123 3.3792 3.4877 3.8634 3.8646 4.1812 4.2681 4.2792 4.3518 4.8623 4.8848 4.8866 4.9383 5.2224 5.2266 5.6736 5.6808 5.8136 5.8427 5.9756 5.9855 6.3370 6.3710 6.4957 6.4964 6.6655 6.6657 6.7048 6.7417 7.1567 7.1782 7.5369 7.5720 7.6319 7.6623 10.9047 10.9124 k = 0.3255 0.6131 0.2844 ( 5850 PWs) bands (ev): -6.5866 -6.5849 -6.4868 -6.4832 -6.3276 -6.3252 -6.1342 -6.1259 1.0811 1.1060 1.1388 1.1926 1.4696 1.5120 1.5407 1.5542 1.7248 1.7580 1.7873 1.8458 2.0213 2.0299 2.0567 2.1134 2.2238 2.2627 2.4166 2.4311 2.4948 2.5459 2.7712 2.7944 2.9474 3.0300 3.0909 3.1586 3.3131 3.3152 3.3893 3.4996 3.8549 3.8572 4.1414 4.2478 4.2833 4.3662 4.8425 4.8731 4.8755 4.9220 5.2327 5.2347 5.6724 5.6775 5.8132 5.8447 5.9744 5.9842 6.3666 6.4020 6.4704 6.4710 6.6732 6.6786 6.7021 6.7332 7.1756 7.1974 7.5362 7.5702 7.6379 7.6663 10.8918 10.8986 k = 0.3255 0.6131 0.2844 ( 5850 PWs) bands (ev): -6.5866 -6.5849 -6.4868 -6.4832 -6.3276 -6.3252 -6.1342 -6.1259 1.0811 1.1060 1.1388 1.1926 1.4696 1.5120 1.5407 1.5542 1.7248 1.7580 1.7873 1.8458 2.0213 2.0299 2.0567 2.1134 2.2238 2.2627 2.4166 2.4311 2.4948 2.5459 2.7712 2.7944 2.9474 3.0300 3.0909 3.1586 3.3131 3.3152 3.3893 3.4996 3.8549 3.8572 4.1414 4.2478 4.2833 4.3662 4.8425 4.8731 4.8755 4.9220 5.2327 5.2347 5.6724 5.6775 5.8132 5.8447 5.9744 5.9842 6.3666 6.4020 6.4704 6.4710 6.6732 6.6786 6.7021 6.7332 7.1756 7.1974 7.5362 7.5702 7.6379 7.6663 10.8918 10.8987 k = 0.3074 0.6077 0.2912 ( 5851 PWs) bands (ev): -6.5913 -6.5896 -6.4801 -6.4766 -6.3301 -6.3276 -6.1336 -6.1251 1.0865 1.1117 1.1444 1.1980 1.4766 1.5191 1.5525 1.5605 1.7234 1.7522 1.7865 1.8455 2.0175 2.0357 2.0620 2.1169 2.2031 2.2486 2.4076 2.4308 2.4930 2.5481 2.7613 2.7853 2.9447 3.0250 3.0905 3.1603 3.3110 3.3199 3.3942 3.5052 3.8506 3.8540 4.1220 4.2314 4.2913 4.3731 4.8296 4.8613 4.8742 4.9134 5.2374 5.2389 5.6731 5.6771 5.8135 5.8466 5.9704 5.9843 6.3786 6.4137 6.4590 6.4610 6.6727 6.6852 6.7073 6.7337 7.1864 7.2084 7.5201 7.5568 7.6493 7.6812 10.8869 10.8935 k = 0.2893 0.6023 0.2981 ( 5852 PWs) bands (ev): -6.5986 -6.5969 -6.4725 -6.4690 -6.3308 -6.3279 -6.1332 -6.1246 1.0926 1.1180 1.1507 1.2039 1.4829 1.5257 1.5652 1.5668 1.7227 1.7466 1.7863 1.8453 2.0115 2.0434 2.0675 2.1206 2.1825 2.2335 2.3934 2.4378 2.4893 2.5524 2.7503 2.7759 2.9433 3.0189 3.0905 3.1617 3.3068 3.3241 3.3995 3.5107 3.8455 3.8513 4.1020 4.2129 4.3000 4.3800 4.8130 4.8474 4.8724 4.9041 5.2426 5.2445 5.6755 5.6783 5.8144 5.8500 5.9630 5.9853 6.3870 6.4183 6.4492 6.4568 6.6716 6.6904 6.7169 6.7400 7.1989 7.2214 7.4884 7.5273 7.6727 7.7076 10.8856 10.8923 k = 0.2712 0.5969 0.3049 ( 5856 PWs) bands (ev): -6.6072 -6.6054 -6.4655 -6.4621 -6.3291 -6.3259 -6.1330 -6.1244 1.0994 1.1249 1.1576 1.2104 1.4884 1.5317 1.5714 1.5793 1.7228 1.7414 1.7864 1.8451 2.0055 2.0510 2.0732 2.1244 2.1625 2.2179 2.3797 2.4461 2.4851 2.5579 2.7384 2.7663 2.9429 3.0123 3.0907 3.1626 3.3015 3.3267 3.4052 3.5160 3.8395 3.8490 4.0817 4.1927 4.3089 4.3867 4.7940 4.8319 4.8694 4.8947 5.2482 5.2509 5.6796 5.6814 5.8153 5.8547 5.9540 5.9860 6.3896 6.4120 6.4436 6.4619 6.6739 6.6971 6.7272 6.7485 7.2126 7.2357 7.4522 7.4918 7.6980 7.7342 10.8875 10.8947 k = 0.2532 0.5915 0.3117 ( 5859 PWs) bands (ev): -6.6163 -6.6145 -6.4601 -6.4569 -6.3251 -6.3213 -6.1332 -6.1244 1.1068 1.1322 1.1653 1.2176 1.4931 1.5371 1.5754 1.5933 1.7233 1.7374 1.7865 1.8448 2.0000 2.0580 2.0786 2.1276 2.1438 2.2023 2.3675 2.4547 2.4814 2.5637 2.7261 2.7566 2.9432 3.0053 3.0906 3.1629 3.2953 3.3276 3.4111 3.5211 3.8329 3.8472 4.0612 4.1709 4.3180 4.3934 4.7739 4.8151 4.8655 4.8855 5.2544 5.2579 5.6852 5.6861 5.8160 5.8604 5.9442 5.9863 6.3849 6.3998 6.4439 6.4714 6.6802 6.7069 6.7372 6.7577 7.2271 7.2506 7.4144 7.4541 7.7211 7.7581 10.8923 10.9002 k = 0.2351 0.5861 0.3186 ( 5859 PWs) bands (ev): -6.6254 -6.6237 -6.4565 -6.4536 -6.3187 -6.3144 -6.1336 -6.1248 1.1146 1.1398 1.1737 1.2257 1.4972 1.5417 1.5781 1.6072 1.7216 1.7368 1.7863 1.8442 1.9953 2.0641 2.0838 2.1234 2.1336 2.1875 2.3571 2.4624 2.4795 2.5696 2.7140 2.7468 2.9435 2.9985 3.0900 3.1626 3.2883 3.3268 3.4174 3.5259 3.8256 3.8459 4.0410 4.1478 4.3271 4.3997 4.7539 4.7976 4.8607 4.8765 5.2609 5.2651 5.6920 5.6928 5.8162 5.8667 5.9340 5.9864 6.3751 6.3855 6.4484 6.4817 6.6901 6.7198 6.7469 6.7669 7.2419 7.2653 7.3768 7.4157 7.7407 7.7782 10.8994 10.9083 k = 0.2170 0.5807 0.3254 ( 5855 PWs) bands (ev): -6.6343 -6.6326 -6.4547 -6.4521 -6.3102 -6.3054 -6.1345 -6.1255 1.1227 1.1472 1.1832 1.2348 1.5008 1.5454 1.5799 1.6202 1.7165 1.7406 1.7857 1.8430 1.9916 2.0687 2.0883 2.1091 2.1350 2.1741 2.3489 2.4662 2.4824 2.5756 2.7026 2.7371 2.9431 2.9923 3.0886 3.1616 3.2809 3.3242 3.4239 3.5302 3.8178 3.8452 4.0212 4.1236 4.3362 4.4058 4.7347 4.7800 4.8552 4.8676 5.2677 5.2725 5.6997 5.7011 5.8159 5.8730 5.9242 5.9864 6.3628 6.3706 6.4552 6.4917 6.7027 6.7352 6.7566 6.7760 7.2566 7.2773 7.3417 7.3772 7.7561 7.7942 10.9084 10.9182 k = 0.1989 0.5753 0.3322 ( 5851 PWs) bands (ev): -6.6428 -6.6412 -6.4545 -6.4522 -6.3003 -6.2949 -6.1357 -6.1267 1.1309 1.1543 1.1937 1.2450 1.5038 1.5477 1.5811 1.6320 1.7098 1.7465 1.7845 1.8413 1.9889 2.0703 2.0919 2.0981 2.1355 2.1632 2.3432 2.4654 2.4909 2.5818 2.6922 2.7276 2.9409 2.9871 3.0861 3.1599 3.2734 3.3201 3.4306 3.5340 3.8097 3.8451 4.0023 4.0985 4.3452 4.4115 4.7168 4.7629 4.8493 4.8591 5.2745 5.2798 5.7084 5.7105 5.8152 5.8781 5.9160 5.9865 6.3496 6.3557 6.4633 6.5014 6.7163 6.7520 6.7668 6.7855 7.2694 7.2763 7.3203 7.3403 7.7673 7.8057 10.9185 10.9292 k = 0.1808 0.5699 0.3391 ( 5851 PWs) bands (ev): -6.6507 -6.6492 -6.4553 -6.4532 -6.2893 -6.2835 -6.1373 -6.1282 1.1389 1.1609 1.2055 1.2564 1.5064 1.5485 1.5822 1.6420 1.7021 1.7530 1.7829 1.8389 1.9870 2.0674 2.0916 2.0959 2.1329 2.1567 2.3400 2.4627 2.5021 2.5887 2.6830 2.7184 2.9360 2.9832 3.0826 3.1574 3.2661 3.3147 3.4375 3.5371 3.8014 3.8454 3.9845 4.0732 4.3541 4.4166 4.7007 4.7466 4.8432 4.8508 5.2812 5.2867 5.7179 5.7206 5.8141 5.8795 5.9118 5.9866 6.3362 6.3412 6.4724 6.5110 6.7293 6.7684 6.7786 6.7965 7.2470 7.2784 7.3072 7.3276 7.7743 7.8130 10.9292 10.9405 k = 0.1627 0.5645 0.3459 ( 5859 PWs) bands (ev): -6.6580 -6.6567 -6.4568 -6.4550 -6.2778 -6.2716 -6.1393 -6.1303 1.1465 1.1668 1.2185 1.2690 1.5085 1.5477 1.5834 1.6494 1.6943 1.7586 1.7814 1.8362 1.9854 2.0619 2.0900 2.0979 2.1278 2.1543 2.3394 2.4591 2.5149 2.5964 2.6751 2.7098 2.9283 2.9797 3.0784 3.1541 3.2594 3.3083 3.4444 3.5393 3.7934 3.8459 3.9679 4.0482 4.3627 4.4211 4.6866 4.7314 4.8368 4.8429 5.2876 5.2933 5.7280 5.7312 5.8127 5.8756 5.9132 5.9865 6.3232 6.3272 6.4824 6.5205 6.7401 6.7807 6.7945 6.8101 7.2121 7.2543 7.3089 7.3397 7.7774 7.8160 10.9400 10.9515 k = 0.1447 0.5592 0.3527 ( 5863 PWs) bands (ev): -6.6647 -6.6635 -6.4586 -6.4571 -6.2661 -6.2595 -6.1419 -6.1328 1.1536 1.1720 1.2327 1.2826 1.5100 1.5456 1.5843 1.6531 1.6875 1.7611 1.7820 1.8333 1.9841 2.0568 2.0888 2.0990 2.1234 2.1537 2.3413 2.4545 2.5293 2.6056 2.6687 2.7019 2.9179 2.9750 3.0742 3.1500 3.2538 3.3013 3.4515 3.5404 3.7862 3.8464 3.9527 4.0242 4.3711 4.4249 4.6746 4.7175 4.8306 4.8355 5.2938 5.2993 5.7384 5.7419 5.8113 5.8683 5.9184 5.9863 6.3107 6.3140 6.4933 6.5301 6.7484 6.7889 6.8137 6.8264 7.1764 7.2190 7.3221 7.3535 7.7772 7.8153 10.9503 10.9616 k = 0.1266 0.5538 0.3596 ( 5859 PWs) bands (ev): -6.6706 -6.6696 -6.4607 -6.4593 -6.2544 -6.2475 -6.1449 -6.1359 1.1601 1.1763 1.2479 1.2970 1.5110 1.5429 1.5846 1.6507 1.6841 1.7591 1.7858 1.8308 1.9827 2.0524 2.0880 2.0989 2.1213 2.1535 2.3452 2.4489 2.5454 2.6164 2.6635 2.6950 2.9055 2.9674 3.0713 3.1454 3.2494 3.2940 3.4587 3.5404 3.7801 3.8464 3.9389 4.0019 4.3792 4.4278 4.6649 4.7048 4.8247 4.8288 5.2994 5.3046 5.7489 5.7526 5.8100 5.8600 5.9248 5.9856 6.2991 6.3018 6.5049 6.5397 6.7548 6.7947 6.8341 6.8441 7.1417 7.1835 7.3363 7.3673 7.7741 7.8112 10.9599 10.9705 k = 0.1085 0.5484 0.3664 ( 5863 PWs) bands (ev): -6.6758 -6.6749 -6.4626 -6.4615 -6.2430 -6.2359 -6.1485 -6.1395 1.1659 1.1799 1.2640 1.3115 1.5111 1.5402 1.5837 1.6424 1.6848 1.7540 1.7913 1.8288 1.9817 2.0472 2.0886 2.0983 2.1207 2.1530 2.3508 2.4424 2.5628 2.6289 2.6594 2.6892 2.8915 2.9557 3.0704 3.1401 3.2463 3.2866 3.4659 3.5392 3.7757 3.8453 3.9269 3.9821 4.3869 4.4299 4.6573 4.6933 4.8192 4.8227 5.3045 5.3093 5.7591 5.7630 5.8088 5.8516 5.9315 5.9845 6.2886 6.2908 6.5171 6.5491 6.7598 6.7989 6.8545 6.8623 7.1085 7.1489 7.3507 7.3804 7.7691 7.8043 10.9684 10.9781 k = 0.0904 0.5430 0.3732 ( 5867 PWs) bands (ev): -6.6803 -6.6795 -6.4645 -6.4635 -6.2320 -6.2246 -6.1526 -6.1437 1.1709 1.1827 1.2805 1.3256 1.5105 1.5379 1.5817 1.6304 1.6876 1.7476 1.7971 1.8273 1.9816 2.0405 2.0913 2.0979 2.1207 2.1521 2.3576 2.4352 2.5810 2.6428 2.6564 2.6849 2.8764 2.9396 3.0719 3.1343 3.2444 3.2795 3.4732 3.5366 3.7733 3.8419 3.9173 3.9651 4.3941 4.4310 4.6518 4.6832 4.8144 4.8174 5.3090 5.3132 5.7688 5.7727 5.8080 5.8436 5.9380 5.9827 6.2793 6.2812 6.5295 6.5580 6.7643 6.8015 6.8740 6.8809 7.0775 7.1158 7.3647 7.3923 7.7629 7.7953 10.9759 10.9843 k = 0.0723 0.5376 0.3801 ( 5869 PWs) bands (ev): -6.6839 -6.6833 -6.4661 -6.4653 -6.2216 -6.2140 -6.1572 -6.1485 1.1753 1.1847 1.2971 1.3382 1.5096 1.5361 1.5786 1.6170 1.6916 1.7407 1.8026 1.8260 1.9825 2.0326 2.0949 2.0983 2.1212 2.1505 2.3651 2.4277 2.5993 2.6520 2.6598 2.6825 2.8610 2.9200 3.0755 3.1280 3.2439 3.2728 3.4805 3.5329 3.7732 3.8358 3.9111 3.9510 4.4009 4.4311 4.6482 4.6743 4.8103 4.8128 5.3129 5.3164 5.7775 5.7814 5.8075 5.8362 5.9441 5.9803 6.2715 6.2730 6.5416 6.5658 6.7685 6.8024 6.8920 6.8999 7.0491 7.0846 7.3781 7.4025 7.7567 7.7851 10.9823 10.9891 k = 0.0542 0.5322 0.3869 ( 5867 PWs) bands (ev): -6.6867 -6.6863 -6.4674 -6.4668 -6.2118 -6.2042 -6.1623 -6.1538 1.1790 1.1861 1.3131 1.3481 1.5093 1.5343 1.5753 1.6036 1.6962 1.7336 1.8076 1.8248 1.9849 2.0241 2.0971 2.1005 2.1226 2.1482 2.3729 2.4200 2.6162 2.6507 2.6732 2.6834 2.8470 2.8984 3.0806 3.1214 3.2445 3.2667 3.4878 3.5281 3.7754 3.8269 3.9085 3.9394 4.4072 4.4302 4.6464 4.6665 4.8071 4.8091 5.3160 5.3187 5.7852 5.7889 5.8074 5.8294 5.9499 5.9773 6.2653 6.2665 6.5529 6.5720 6.7730 6.8014 6.9088 6.9190 7.0235 7.0555 7.3905 7.4104 7.7515 7.7745 10.9874 10.9926 k = 0.0362 0.5268 0.3937 ( 5862 PWs) bands (ev): -6.6888 -6.6884 -6.4683 -6.4679 -6.2028 -6.1955 -6.1675 -6.1596 1.1819 1.1867 1.3278 1.3539 1.5108 1.5314 1.5728 1.5914 1.7015 1.7267 1.8121 1.8233 1.9887 2.0155 2.0983 2.1022 2.1258 2.1449 2.3809 2.4122 2.6299 2.6489 2.6822 2.6900 2.8369 2.8764 3.0867 3.1145 3.2461 3.2611 3.4951 3.5225 3.7800 3.8164 3.9089 3.9300 4.4129 4.4284 4.6463 4.6600 4.8049 4.8063 5.3184 5.3203 5.7914 5.7947 5.8079 5.8233 5.9553 5.9737 6.2609 6.2617 6.5627 6.5759 6.7780 6.7987 6.9250 6.9379 7.0011 7.0289 7.4011 7.4154 7.7483 7.7646 10.9913 10.9949 k = 0.0181 0.5214 0.4006 ( 5862 PWs) bands (ev): -6.6899 -6.6898 -6.4688 -6.4686 -6.1948 -6.1892 -6.1716 -6.1657 1.1842 1.1865 1.3404 1.3544 1.5147 1.5267 1.5726 1.5818 1.7073 1.7199 1.8158 1.8214 1.9938 2.0074 2.0997 2.1022 2.1305 2.1407 2.3888 2.4044 2.6390 2.6469 2.6891 2.6959 2.8341 2.8563 3.0933 3.1074 3.2486 3.2562 3.5024 3.5162 3.7868 3.8056 3.9117 3.9224 4.4179 4.4257 4.6477 4.6546 4.8037 4.8044 5.3201 5.3210 5.7959 5.7981 5.8096 5.8178 5.9604 5.9696 6.2583 6.2587 6.5703 6.5771 6.7834 6.7944 6.9410 6.9551 6.9832 7.0048 7.4095 7.4170 7.7478 7.7563 10.9941 10.9958 k = 0.0000 0.5160 0.4074 ( 5860 PWs) bands (ev): -6.6903 -6.6903 -6.4689 -6.4689 -6.1891 -6.1891 -6.1709 -6.1709 1.1857 1.1857 1.3497 1.3497 1.5206 1.5206 1.5755 1.5755 1.7134 1.7134 1.8190 1.8190 2.0001 2.0001 2.1012 2.1012 2.1358 2.1358 2.3967 2.3967 2.6441 2.6441 2.6951 2.6951 2.8411 2.8411 3.1003 3.1003 3.2520 3.2520 3.5095 3.5095 3.7955 3.7955 3.9163 3.9163 4.4222 4.4222 4.6505 4.6505 4.8036 4.8036 5.3209 5.3209 5.7983 5.7983 5.8131 5.8131 5.9652 5.9652 6.2576 6.2576 6.5752 6.5752 6.7891 6.7891 6.9558 6.9558 6.9848 6.9848 7.4150 7.4150 7.7505 7.7505 10.9956 10.9956 k = 0.0000 0.5160 0.4074 ( 5860 PWs) bands (ev): -6.6903 -6.6903 -6.4689 -6.4689 -6.1891 -6.1891 -6.1709 -6.1709 1.1857 1.1857 1.3497 1.3497 1.5206 1.5206 1.5755 1.5755 1.7134 1.7134 1.8190 1.8190 2.0001 2.0001 2.1012 2.1012 2.1358 2.1358 2.3967 2.3967 2.6441 2.6441 2.6951 2.6951 2.8411 2.8411 3.1003 3.1003 3.2520 3.2520 3.5095 3.5095 3.7955 3.7955 3.9163 3.9163 4.4222 4.4222 4.6505 4.6505 4.8036 4.8036 5.3209 5.3209 5.7983 5.7983 5.8131 5.8131 5.9652 5.9652 6.2576 6.2576 6.5752 6.5752 6.7891 6.7891 6.9558 6.9558 6.9848 6.9848 7.4150 7.4150 7.7505 7.7505 10.9956 10.9956 k = 0.0089 0.5045 0.4220 ( 5866 PWs) bands (ev): -6.6900 -6.6898 -6.4688 -6.4686 -6.1895 -6.1893 -6.1712 -6.1710 1.1841 1.1877 1.3494 1.3505 1.5185 1.5228 1.5731 1.5779 1.7099 1.7166 1.8162 1.8218 1.9919 2.0069 2.0951 2.1007 2.1341 2.1434 2.3900 2.4027 2.6389 2.6465 2.6898 2.6971 2.8380 2.8438 3.0985 3.1045 3.2480 3.2541 3.5073 3.5121 3.7927 3.7992 3.9125 3.9225 4.4221 4.4261 4.6488 4.6515 4.8035 4.8053 5.3163 5.3187 5.7947 5.7999 5.8157 5.8160 5.9642 5.9647 6.2534 6.2638 6.5727 6.5814 6.7894 6.7922 6.9562 6.9564 6.9838 6.9860 7.4155 7.4157 7.7493 7.7497 10.9932 10.9935 k = 0.0179 0.4930 0.4365 ( 5876 PWs) bands (ev): -6.6890 -6.6887 -6.4683 -6.4680 -6.1906 -6.1902 -6.1718 -6.1715 1.1831 1.1903 1.3498 1.3520 1.5168 1.5254 1.5707 1.5802 1.7061 1.7193 1.8135 1.8246 1.9826 2.0118 2.0860 2.0940 2.1383 2.1531 2.3827 2.4079 2.6313 2.6460 2.6814 2.6957 2.8349 2.8461 3.0990 3.1112 3.2421 3.2540 3.5057 3.5153 3.7910 3.8037 3.9112 3.9309 4.4258 4.4338 4.6465 4.6519 4.8049 4.8086 5.3052 5.3100 5.7900 5.7995 5.8231 5.8242 5.9620 5.9628 6.2515 6.2719 6.5741 6.5911 6.7931 6.7986 6.9577 6.9579 6.9833 6.9875 7.4174 7.4177 7.7460 7.7468 10.9865 10.9870 k = 0.0268 0.4815 0.4511 ( 5872 PWs) bands (ev): -6.6874 -6.6868 -6.4674 -6.4669 -6.1924 -6.1918 -6.1729 -6.1723 1.1826 1.1933 1.3509 1.3542 1.5155 1.5282 1.5683 1.5825 1.7021 1.7216 1.8109 1.8275 1.9726 2.0140 2.0756 2.0860 2.1448 2.1631 2.3751 2.4123 2.6217 2.6424 2.6702 2.6910 2.8317 2.8479 3.1018 3.1200 3.2348 3.2518 3.5045 3.5190 3.7904 3.8090 3.9125 3.9412 4.4333 4.4449 4.6436 4.6517 4.8079 4.8135 5.2881 5.2954 5.7844 5.7976 5.8342 5.8370 5.9589 5.9594 6.2524 6.2820 6.5791 6.6039 6.8001 6.8081 6.9602 6.9605 6.9833 6.9892 7.4206 7.4208 7.7407 7.7419 10.9755 10.9763 k = 0.0357 0.4700 0.4656 ( 5876 PWs) bands (ev): -6.6850 -6.6843 -6.4661 -6.4655 -6.1948 -6.1940 -6.1742 -6.1735 1.1826 1.1967 1.3525 1.3569 1.5144 1.5313 1.5659 1.5848 1.6979 1.7234 1.8084 1.8304 1.9619 2.0124 2.0645 2.0795 2.1513 2.1724 2.3672 2.4156 2.6105 2.6356 2.6566 2.6831 2.8288 2.8493 3.1063 3.1308 3.2266 3.2478 3.5038 3.5229 3.7911 3.8150 3.9164 3.9532 4.4441 4.4590 4.6404 4.6511 4.8121 4.8197 5.2659 5.2759 5.7780 5.7945 5.8481 5.8535 5.9544 5.9556 6.2565 6.2941 6.5875 6.6194 6.8100 6.8200 6.9633 6.9644 6.9843 6.9909 7.4252 7.4254 7.7333 7.7350 10.9606 10.9616 k = 0.0446 0.4585 0.4802 ( 5876 PWs) bands (ev): -6.6819 -6.6811 -6.4645 -6.4637 -6.1979 -6.1968 -6.1760 -6.1750 1.1832 1.2006 1.3548 1.3602 1.5137 1.5345 1.5635 1.5869 1.6936 1.7248 1.8059 1.8332 1.9508 2.0065 2.0531 2.0758 2.1573 2.1807 2.3593 2.4178 2.5981 2.6253 2.6414 2.6722 2.8261 2.8503 3.1122 3.1432 3.2179 3.2424 3.5033 3.5270 3.7929 3.8217 3.9228 3.9666 4.4578 4.4756 4.6371 4.6502 4.8175 4.8272 5.2397 5.2524 5.7708 5.7903 5.8629 5.8725 5.9484 5.9529 6.2639 6.3083 6.5986 6.6368 6.8221 6.8339 6.9666 6.9695 6.9867 6.9929 7.4308 7.4317 7.7241 7.7262 10.9420 10.9432 k = 0.0536 0.4470 0.4947 ( 5870 PWs) bands (ev): -6.6782 -6.6772 -6.4625 -6.4615 -6.2016 -6.2003 -6.1780 -6.1769 1.1843 1.2050 1.3576 1.3640 1.5133 1.5379 1.5612 1.5889 1.6892 1.7256 1.8034 1.8358 1.9394 1.9970 2.0417 2.0746 2.1622 2.1877 2.3515 2.4188 2.5849 2.6109 2.6260 2.6586 2.8238 2.8509 3.1186 3.1565 3.2096 3.2360 3.5030 3.5312 3.7959 3.8290 3.9315 3.9811 4.4739 4.4940 4.6339 4.6491 4.8239 4.8356 5.2104 5.2260 5.7631 5.7851 5.8757 5.8925 5.9428 5.9537 6.2746 6.3247 6.6121 6.6558 6.8360 6.8491 6.9698 6.9760 6.9913 6.9951 7.4375 7.4396 7.7130 7.7157 10.9201 10.9215 k = 0.0625 0.4356 0.5093 ( 5862 PWs) bands (ev): -6.6738 -6.6726 -6.4601 -6.4590 -6.2059 -6.2045 -6.1804 -6.1791 1.1860 1.2098 1.3610 1.3683 1.5132 1.5413 1.5590 1.5908 1.6848 1.7259 1.8008 1.8383 1.9278 1.9853 2.0304 2.0748 2.1658 2.1932 2.3439 2.4184 2.5714 2.5924 2.6111 2.6428 2.8219 2.8512 3.1242 3.1698 3.2028 3.2298 3.5028 3.5352 3.8001 3.8370 3.9425 3.9966 4.4915 4.5133 4.6312 4.6480 4.8310 4.8450 5.1789 5.1976 5.7551 5.7791 5.8825 5.9071 5.9434 5.9616 6.2886 6.3433 6.6274 6.6758 6.8507 6.8649 6.9727 6.9837 6.9973 6.9987 7.4454 7.4491 7.7002 7.7035 10.8953 10.8968 k = 0.0714 0.4241 0.5238 ( 5860 PWs) bands (ev): -6.6688 -6.6674 -6.4575 -6.4563 -6.2107 -6.2092 -6.1832 -6.1817 1.1883 1.2150 1.3649 1.3730 1.5134 1.5446 1.5570 1.5923 1.6805 1.7257 1.7981 1.8405 1.9162 1.9726 2.0195 2.0755 2.1681 2.1970 2.3367 2.4165 2.5579 2.5712 2.5962 2.6251 2.8204 2.8513 3.1274 3.1808 3.1992 3.2260 3.5027 3.5390 3.8054 3.8456 3.9554 4.0128 4.5097 4.5321 4.6296 4.6470 4.8388 4.8549 5.1463 5.1682 5.7468 5.7724 5.8815 5.9066 5.9602 5.9782 6.3055 6.3637 6.6442 6.6963 6.8655 6.8804 6.9761 6.9925 7.0013 7.0078 7.4543 7.4600 7.6858 7.6898 10.8681 10.8698 k = 0.0804 0.4126 0.5384 ( 5858 PWs) bands (ev): -6.6631 -6.6616 -6.4546 -6.4532 -6.2162 -6.2144 -6.1862 -6.1845 1.1912 1.2206 1.3692 1.3780 1.5139 1.5474 1.5556 1.5935 1.6763 1.7250 1.7952 1.8424 1.9048 1.9599 2.0091 2.0760 2.1688 2.1989 2.3299 2.4131 2.5447 2.5483 2.5810 2.6061 2.8192 2.8513 3.1263 3.1850 3.2003 3.2292 3.5026 3.5426 3.8117 3.8550 3.9702 4.0298 4.5276 4.5489 4.6300 4.6462 4.8471 4.8653 5.1135 5.1387 5.7384 5.7652 5.8749 5.8979 5.9861 6.0013 6.3248 6.3855 6.6623 6.7173 6.8791 6.8945 6.9808 7.0013 7.0077 7.0191 7.4640 7.4721 7.6700 7.6748 10.8389 10.8407 k = 0.0893 0.4011 0.5529 ( 5862 PWs) bands (ev): -6.6568 -6.6551 -6.4515 -6.4500 -6.2221 -6.2202 -6.1895 -6.1877 1.1947 1.2266 1.3738 1.3833 1.5147 1.5487 1.5557 1.5941 1.6721 1.7239 1.7919 1.8437 1.8937 1.9479 1.9993 2.0758 2.1680 2.1988 2.3236 2.4080 2.5246 2.5319 2.5657 2.5863 2.8185 2.8513 3.1207 3.1813 3.2062 3.2405 3.5025 3.5458 3.8191 3.8650 3.9866 4.0473 4.5440 4.5614 4.6335 4.6457 4.8558 4.8757 5.0817 5.1100 5.7302 5.7578 5.8652 5.8868 6.0155 6.0285 6.3460 6.4083 6.6816 6.7384 6.8904 6.9062 6.9878 7.0094 7.0181 7.0320 7.4742 7.4852 7.6530 7.6588 10.8083 10.8102 k = 0.0982 0.3896 0.5675 ( 5860 PWs) bands (ev): -6.6499 -6.6481 -6.4481 -6.4466 -6.2284 -6.2264 -6.1932 -6.1912 1.1989 1.2330 1.3788 1.3887 1.5158 1.5481 1.5577 1.5941 1.6682 1.7224 1.7884 1.8443 1.8831 1.9371 1.9905 2.0747 2.1656 2.1967 2.3174 2.4011 2.5008 2.5195 2.5504 2.5665 2.8182 2.8513 3.1118 3.1735 3.2158 3.2561 3.5024 3.5486 3.8275 3.8757 4.0044 4.0654 4.5577 4.5683 4.6403 4.6455 4.8647 4.8860 5.0522 5.0833 5.7221 5.7502 5.8540 5.8749 6.0469 6.0583 6.3684 6.4313 6.7023 6.7597 6.8984 6.9147 6.9980 7.0189 7.0308 7.0463 7.4847 7.4987 7.6351 7.6420 10.7768 10.7786 k = 0.1071 0.3781 0.5820 ( 5854 PWs) bands (ev): -6.6424 -6.6405 -6.4447 -6.4430 -6.2351 -6.2330 -6.1971 -6.1950 1.2037 1.2398 1.3840 1.3942 1.5171 1.5468 1.5604 1.5931 1.6643 1.7207 1.7845 1.8443 1.8731 1.9281 1.9827 2.0725 2.1620 2.1925 2.3111 2.3924 2.4774 2.5074 2.5355 2.5476 2.8183 2.8513 3.1008 3.1642 3.2274 3.2734 3.5022 3.5510 3.8371 3.8872 4.0234 4.0840 4.5677 4.5702 4.6453 4.6482 4.8738 4.8956 5.0267 5.0594 5.7144 5.7427 5.8418 5.8629 6.0798 6.0900 6.3914 6.4538 6.7246 6.7813 6.9031 6.9195 7.0114 7.0311 7.0447 7.0615 7.4949 7.5122 7.6167 7.6249 10.7449 10.7466 k = 0.1161 0.3666 0.5966 ( 5856 PWs) bands (ev): -6.6344 -6.6323 -6.4412 -6.4395 -6.2421 -6.2400 -6.2013 -6.1990 1.2091 1.2469 1.3894 1.3996 1.5184 1.5454 1.5630 1.5910 1.6606 1.7189 1.7802 1.8434 1.8640 1.9213 1.9762 2.0692 2.1572 2.1863 2.3040 2.3818 2.4553 2.4952 2.5211 2.5304 2.8188 2.8514 3.0887 3.1545 3.2402 3.2913 3.5019 3.5529 3.8478 3.8995 4.0432 4.1030 4.5685 4.5736 4.6444 4.6539 4.8829 4.9039 5.0073 5.0395 5.7071 5.7352 5.8293 5.8510 6.1139 6.1231 6.4143 6.4751 6.7488 6.8033 6.9050 6.9210 7.0272 7.0456 7.0592 7.0772 7.5043 7.5247 7.5986 7.6081 10.7129 10.7146 k = 0.1250 0.3551 0.6111 ( 5854 PWs) bands (ev): -6.6259 -6.6237 -6.4377 -6.4360 -6.2493 -6.2471 -6.2058 -6.2034 1.2151 1.2543 1.3948 1.4048 1.5198 1.5441 1.5652 1.5877 1.6571 1.7173 1.7757 1.8421 1.8557 1.9167 1.9710 2.0648 2.1514 2.1782 2.2955 2.3691 2.4354 2.4826 2.5075 2.5159 2.8197 2.8517 3.0759 3.1446 3.2536 3.3094 3.5015 3.5544 3.8598 3.9126 4.0638 4.1224 4.5646 4.5752 4.6418 4.6547 4.8921 4.9106 4.9957 5.0243 5.7003 5.7279 5.8167 5.8395 6.1490 6.1574 6.4365 6.4946 6.7752 6.8256 6.9053 6.9200 7.0446 7.0614 7.0742 7.0932 7.5117 7.5342 7.5824 7.5924 10.6815 10.6830 k = 0.1339 0.3436 0.6257 ( 5842 PWs) bands (ev): -6.6169 -6.6145 -6.4343 -6.4326 -6.2565 -6.2543 -6.2105 -6.2080 1.2219 1.2621 1.4002 1.4097 1.5212 1.5429 1.5670 1.5831 1.6537 1.7157 1.7711 1.8405 1.8485 1.9143 1.9673 2.0592 2.1450 2.1686 2.2847 2.3543 2.4184 2.4699 2.4948 2.5040 2.8211 2.8521 3.0627 3.1350 3.2671 3.3275 3.5010 3.5554 3.8730 3.9267 4.0849 4.1419 4.5590 4.5728 4.6367 4.6488 4.9014 4.9161 4.9921 5.0141 5.6941 5.7210 5.8043 5.8285 6.1849 6.1926 6.4574 6.5117 6.8037 6.8478 6.9053 6.9175 7.0626 7.0775 7.0896 7.1089 7.5157 7.5358 7.5732 7.5795 10.6510 10.6524 k = 0.1429 0.3322 0.6402 ( 5840 PWs) bands (ev): -6.6074 -6.6050 -6.4313 -6.4296 -6.2637 -6.2615 -6.2154 -6.2128 1.2293 1.2702 1.4054 1.4141 1.5223 1.5419 1.5680 1.5772 1.6506 1.7145 1.7664 1.8394 1.8425 1.9136 1.9652 2.0526 2.1380 2.1576 2.2712 2.3373 2.4049 2.4579 2.4830 2.4942 2.8228 2.8526 3.0494 3.1256 3.2806 3.3451 3.5004 3.5558 3.8875 3.9416 4.1062 4.1615 4.5517 4.5665 4.6287 4.6363 4.9108 4.9220 4.9949 5.0087 5.6885 5.7145 5.7921 5.8181 6.2211 6.2284 6.4767 6.5264 6.8336 6.8672 6.9081 6.9143 7.0803 7.0922 7.1060 7.1244 7.5146 7.5259 7.5708 7.5744 10.6219 10.6232 k = 0.1518 0.3207 0.6548 ( 5836 PWs) bands (ev): -6.5975 -6.5950 -6.4286 -6.4271 -6.2705 -6.2685 -6.2205 -6.2178 1.2373 1.2785 1.4103 1.4180 1.5228 1.5410 1.5682 1.5705 1.6479 1.7133 1.7616 1.8377 1.8393 1.9144 1.9646 2.0453 2.1306 2.1457 2.2549 2.3184 2.3951 2.4472 2.4723 2.4858 2.8251 2.8533 3.0361 3.1167 3.2937 3.3624 3.4996 3.5557 3.9033 3.9576 4.1276 4.1810 4.5425 4.5564 4.6182 4.6191 4.9204 4.9292 5.0016 5.0072 5.6836 5.7085 5.7803 5.8084 6.2576 6.2644 6.4939 6.5386 6.8634 6.8781 6.9119 6.9200 7.0969 7.1044 7.1238 7.1397 7.5081 7.5113 7.5669 7.5793 10.5946 10.5958 k = 0.1607 0.3092 0.6693 ( 5852 PWs) bands (ev): -6.5873 -6.5846 -6.4266 -6.4253 -6.2768 -6.2750 -6.2259 -6.2231 1.2460 1.2870 1.4147 1.4212 1.5223 1.5401 1.5636 1.5676 1.6459 1.7123 1.7568 1.8343 1.8404 1.9163 1.9655 2.0373 2.1228 2.1332 2.2362 2.2979 2.3885 2.4380 2.4625 2.4785 2.8277 2.8541 3.0230 3.1082 3.3063 3.3791 3.4986 3.5550 3.9204 3.9745 4.1487 4.2000 4.5308 4.5425 4.5982 4.6076 4.9302 4.9377 5.0085 5.0103 5.6794 5.7029 5.7689 5.7993 6.2938 6.3002 6.5090 6.5486 6.8800 6.8861 6.9175 6.9403 7.1117 7.1140 7.1422 7.1552 7.4964 7.4988 7.5654 7.5836 10.5696 10.5706 k = 0.1696 0.2977 0.6839 ( 5852 PWs) bands (ev): -6.5767 -6.5740 -6.4254 -6.4244 -6.2824 -6.2809 -6.2314 -6.2285 1.2553 1.2956 1.4183 1.4236 1.5204 1.5392 1.5573 1.5660 1.6448 1.7112 1.7519 1.8325 1.8432 1.9191 1.9678 2.0291 2.1147 2.1205 2.2161 2.2763 2.3846 2.4303 2.4536 2.4719 2.8308 2.8551 3.0101 3.1004 3.3182 3.3950 3.4976 3.5537 3.9389 3.9925 4.1692 4.2181 4.5154 4.5254 4.5778 4.5961 4.9401 4.9471 5.0116 5.0198 5.6760 5.6979 5.7581 5.7912 6.3295 6.3356 6.5220 6.5566 6.8792 6.8911 6.9399 6.9629 7.1216 7.1245 7.1609 7.1714 7.4831 7.4888 7.5640 7.5858 10.5471 10.5480 k = 0.1786 0.2862 0.6984 ( 5846 PWs) bands (ev): -6.5658 -6.5630 -6.4254 -6.4247 -6.2870 -6.2859 -6.2370 -6.2341 1.2653 1.3044 1.4207 1.4253 1.5166 1.5381 1.5524 1.5636 1.6448 1.7101 1.7466 1.8321 1.8478 1.9227 1.9716 2.0209 2.1062 2.1082 2.1953 2.2540 2.3827 2.4239 2.4456 2.4660 2.8342 2.8560 2.9977 3.0932 3.3295 3.4103 3.4964 3.5519 3.9587 4.0115 4.1886 4.2349 4.4960 4.5065 4.5597 4.5845 4.9499 4.9566 5.0155 5.0294 5.6735 5.6935 5.7479 5.7838 6.3641 6.3701 6.5328 6.5630 6.8779 6.8899 6.9665 6.9834 7.1282 7.1362 7.1795 7.1881 7.4719 7.4799 7.5613 7.5854 10.5277 10.5285 k = 0.1875 0.2747 0.7130 ( 5840 PWs) bands (ev): -6.5547 -6.5519 -6.4266 -6.4263 -6.2903 -6.2897 -6.2427 -6.2398 1.2759 1.3133 1.4214 1.4261 1.5115 1.5369 1.5492 1.5604 1.6460 1.7090 1.7410 1.8332 1.8537 1.9271 1.9766 2.0129 2.0964 2.0972 2.1748 2.2316 2.3823 2.4186 2.4384 2.4606 2.8381 2.8571 2.9858 3.0867 3.3398 3.4246 3.4950 3.5494 3.9796 4.0314 4.2064 4.2493 4.4734 4.4874 4.5443 4.5726 4.9594 4.9657 5.0196 5.0385 5.6718 5.6896 5.7383 5.7773 6.3972 6.4032 6.5416 6.5677 6.8773 6.8884 6.9889 6.9989 7.1357 7.1489 7.1975 7.2049 7.4633 7.4725 7.5567 7.5823 10.5115 10.5122 k = 0.1964 0.2632 0.7275 ( 5846 PWs) bands (ev): -6.5434 -6.5406 -6.4295 -6.4293 -6.2923 -6.2921 -6.2485 -6.2456 1.2870 1.3220 1.4198 1.4259 1.5063 1.5355 1.5472 1.5569 1.6485 1.7078 1.7350 1.8354 1.8608 1.9323 1.9825 2.0054 2.0860 2.0874 2.1553 2.2092 2.3829 2.4142 2.4317 2.4558 2.8421 2.8581 2.9745 3.0810 3.3491 3.4381 3.4937 3.5464 4.0015 4.0523 4.2216 4.2600 4.4498 4.4702 4.5308 4.5604 4.9684 4.9741 5.0235 5.0469 5.6710 5.6864 5.7292 5.7716 6.4282 6.4342 6.5485 6.5712 6.8781 6.8883 7.0030 7.0068 7.1465 7.1644 7.2146 7.2212 7.4573 7.4669 7.5499 7.5764 10.4989 10.4996 k = 0.2054 0.2517 0.7421 ( 5854 PWs) bands (ev): -6.5320 -6.5292 -6.4342 -6.4335 -6.2932 -6.2929 -6.2543 -6.2514 1.2986 1.3304 1.4156 1.4250 1.5020 1.5341 1.5458 1.5532 1.6520 1.7067 1.7287 1.8384 1.8684 1.9385 1.9889 1.9986 2.0762 2.0774 2.1380 2.1872 2.3845 2.4106 2.4256 2.4517 2.8464 2.8590 2.9640 3.0760 3.3573 3.4505 3.4922 3.5428 4.0241 4.0739 4.2329 4.2655 4.4279 4.4572 4.5186 4.5476 4.9766 4.9815 5.0266 5.0542 5.6709 5.6837 5.7209 5.7667 6.4566 6.4627 6.5535 6.5733 6.8808 6.8900 7.0068 7.0072 7.1616 7.1830 7.2306 7.2364 7.4541 7.4630 7.5412 7.5680 10.4901 10.4909 k = 0.2143 0.2402 0.7566 ( 5852 PWs) bands (ev): -6.5206 -6.5178 -6.4404 -6.4392 -6.2929 -6.2921 -6.2600 -6.2572 1.3108 1.3384 1.4087 1.4233 1.4993 1.5328 1.5447 1.5497 1.6564 1.7057 1.7223 1.8417 1.8759 1.9462 1.9928 1.9954 2.0633 2.0717 2.1238 2.1660 2.3868 2.4078 2.4200 2.4482 2.8507 2.8599 2.9545 3.0719 3.3643 3.4617 3.4909 3.5389 4.0470 4.0962 4.2387 4.2642 4.4102 4.4504 4.5073 4.5342 4.9840 4.9877 5.0290 5.0604 5.6717 5.6816 5.7133 5.7627 6.4818 6.4881 6.5565 6.5740 6.8856 6.8943 7.0003 7.0026 7.1792 7.2033 7.2450 7.2499 7.4534 7.4608 7.5308 7.5574 10.4853 10.4862 k = 0.2232 0.2288 0.7712 ( 5852 PWs) bands (ev): -6.5092 -6.5064 -6.4479 -6.4463 -6.2914 -6.2902 -6.2657 -6.2629 1.3233 1.3456 1.3995 1.4210 1.4979 1.5317 1.5437 1.5467 1.6613 1.7049 1.7159 1.8450 1.8825 1.9555 1.9883 2.0007 2.0485 2.0698 2.1133 2.1459 2.3895 2.4056 2.4148 2.4455 2.8548 2.8606 2.9464 3.0687 3.3699 3.4717 3.4897 3.5346 4.0693 4.1188 4.2379 4.2559 4.3986 4.4504 4.4971 4.5204 4.9902 4.9927 5.0306 5.0652 5.6732 5.6799 5.7066 5.7596 6.5034 6.5098 6.5575 6.5733 6.8927 6.9011 6.9894 6.9923 7.1963 7.2230 7.2573 7.2609 7.4552 7.4604 7.5194 7.5455 10.4847 10.4857 k = 0.2321 0.2173 0.7857 ( 5854 PWs) bands (ev): -6.4980 -6.4952 -6.4564 -6.4545 -6.2887 -6.2872 -6.2711 -6.2684 1.3359 1.3514 1.3886 1.4187 1.4975 1.5310 1.5429 1.5442 1.6661 1.7043 1.7101 1.8477 1.8876 1.9663 1.9852 2.0044 2.0324 2.0725 2.1063 2.1271 2.3927 2.4041 2.4099 2.4435 2.8583 2.8611 2.9400 3.0663 3.3740 3.4800 3.4888 3.5304 4.0897 4.1408 4.2312 4.2424 4.3932 4.4563 4.4885 4.5063 4.9950 4.9963 5.0314 5.0687 5.6751 5.6788 5.7009 5.7574 6.5212 6.5275 6.5562 6.5710 6.9015 6.9101 6.9766 6.9790 7.2102 7.2397 7.2667 7.2690 7.4590 7.4617 7.5082 7.5336 10.4883 10.4895 k = 0.2411 0.2058 0.8003 ( 5854 PWs) bands (ev): -6.4870 -6.4843 -6.4658 -6.4637 -6.2852 -6.2835 -6.2762 -6.2736 1.3484 1.3554 1.3770 1.4169 1.4975 1.5305 1.5423 1.5427 1.6700 1.7040 1.7056 1.8495 1.8907 1.9763 1.9857 2.0061 2.0167 2.0797 2.1024 2.1107 2.3962 2.4032 2.4056 2.4422 2.8607 2.8615 2.9359 3.0649 3.3766 3.4858 3.4882 3.5271 4.1052 4.1603 4.2229 4.2272 4.3918 4.4661 4.4827 4.4923 4.9981 4.9985 5.0318 5.0709 5.6770 5.6781 5.6967 5.7560 6.5351 6.5405 6.5523 6.5675 6.9104 6.9200 6.9648 6.9660 7.2192 7.2513 7.2727 7.2736 7.4633 7.4642 7.4990 7.5239 10.4961 10.4976 k = 0.2500 0.1943 0.8148 ( 5856 PWs) bands (ev): -6.4779 -6.4744 -6.4744 -6.4731 -6.2816 -6.2805 -6.2804 -6.2771 1.3567 1.3569 1.3689 1.4162 1.4976 1.5304 1.5420 1.5422 1.6716 1.7038 1.7039 1.8502 1.8917 1.9787 1.9914 2.0062 2.0071 2.0862 2.1007 2.1015 2.3985 2.4028 2.4029 2.4418 2.8615 2.8616 2.9344 3.0645 3.3774 3.4879 3.4881 3.5257 4.1114 4.1699 4.2188 4.2191 4.3917 4.4766 4.4805 4.4806 4.9992 4.9992 5.0319 5.0716 5.6779 5.6779 5.6950 5.7556 6.5448 6.5460 6.5461 6.5651 6.9147 6.9254 6.9593 6.9594 7.2224 7.2555 7.2746 7.2753 7.4652 7.4659 7.4952 7.5199 10.5064 10.5098 k = 0.2500 0.1943 0.8148 ( 5856 PWs) bands (ev): -6.4779 -6.4744 -6.4744 -6.4731 -6.2816 -6.2805 -6.2804 -6.2771 1.3567 1.3569 1.3689 1.4162 1.4976 1.5304 1.5420 1.5422 1.6716 1.7038 1.7039 1.8502 1.8917 1.9787 1.9914 2.0062 2.0071 2.0862 2.1007 2.1015 2.3985 2.4028 2.4029 2.4418 2.8615 2.8616 2.9344 3.0645 3.3774 3.4879 3.4881 3.5257 4.1114 4.1699 4.2188 4.2191 4.3917 4.4766 4.4805 4.4806 4.9992 4.9992 5.0319 5.0716 5.6779 5.6779 5.6950 5.7556 6.5448 6.5460 6.5461 6.5651 6.9147 6.9254 6.9593 6.9594 7.2224 7.2555 7.2746 7.2753 7.4652 7.4659 7.4952 7.5199 10.5064 10.5097 k = 0.2625 0.2040 0.8025 ( 5860 PWs) bands (ev): -6.4824 -6.4798 -6.4700 -6.4680 -6.2836 -6.2820 -6.2782 -6.2755 1.3511 1.3578 1.3724 1.4158 1.4981 1.5304 1.5382 1.5460 1.6713 1.7031 1.7054 1.8481 1.8937 1.9784 1.9878 2.0088 2.0098 2.0835 2.1019 2.1052 2.3976 2.4000 2.4056 2.4416 2.8554 2.8681 2.9349 3.0646 3.3772 3.4846 3.4906 3.5261 4.1085 4.1648 4.2181 4.2223 4.3935 4.4720 4.4848 4.4865 4.9983 4.9983 5.0312 5.0708 5.6747 5.6813 5.6958 5.7559 6.5381 6.5433 6.5490 6.5653 6.9131 6.9235 6.9606 6.9637 7.2218 7.2543 7.2706 7.2774 7.4630 7.4689 7.4966 7.5214 10.4987 10.5002 k = 0.2750 0.2137 0.7902 ( 5860 PWs) bands (ev): -6.4878 -6.4854 -6.4649 -6.4631 -6.2858 -6.2841 -6.2755 -6.2729 1.3417 1.3571 1.3787 1.4149 1.4991 1.5303 1.5345 1.5496 1.6708 1.7028 1.7080 1.8426 1.8990 1.9773 1.9814 2.0141 2.0162 2.0793 2.1038 2.1136 2.3962 2.3964 2.4076 2.4411 2.8501 2.8746 2.9362 3.0650 3.3768 3.4801 3.4931 3.5268 4.1002 4.1516 4.2197 4.2268 4.3991 4.4701 4.4933 4.4963 4.9957 4.9960 5.0290 5.0685 5.6722 5.6841 5.6984 5.7567 6.5272 6.5348 6.5496 6.5648 6.9091 6.9188 6.9668 6.9718 7.2208 7.2517 7.2654 7.2779 7.4623 7.4729 7.4998 7.5245 10.4874 10.4886 k = 0.2875 0.2234 0.7779 ( 5858 PWs) bands (ev): -6.4929 -6.4905 -6.4604 -6.4588 -6.2877 -6.2861 -6.2729 -6.2703 1.3314 1.3544 1.3853 1.4138 1.4997 1.5293 1.5320 1.5530 1.6706 1.7028 1.7114 1.8355 1.9065 1.9756 1.9757 2.0192 2.0257 2.0762 2.1064 2.1239 2.3922 2.3945 2.4084 2.4402 2.8457 2.8810 2.9383 3.0656 3.3762 3.4750 3.4953 3.5274 4.0878 4.1345 4.2210 4.2315 4.4077 4.4719 4.5054 4.5084 4.9912 4.9923 5.0252 5.0649 5.6704 5.6865 5.7024 5.7580 6.5138 6.5229 6.5466 6.5618 6.9048 6.9142 6.9746 6.9812 7.2194 7.2482 7.2596 7.2768 7.4645 7.4781 7.5039 7.5280 10.4739 10.4750 k = 0.3000 0.2331 0.7656 ( 5852 PWs) bands (ev): -6.4975 -6.4952 -6.4566 -6.4552 -6.2893 -6.2878 -6.2704 -6.2679 1.3207 1.3497 1.3914 1.4121 1.4988 1.5271 1.5319 1.5562 1.6709 1.7034 1.7154 1.8279 1.9152 1.9713 1.9735 2.0249 2.0365 2.0747 2.1096 2.1354 2.3875 2.3924 2.4082 2.4389 2.8423 2.8874 2.9411 3.0663 3.3754 3.4695 3.4972 3.5274 4.0729 4.1163 4.2210 4.2360 4.4186 4.4766 4.5206 4.5226 4.9849 4.9872 5.0202 5.0603 5.6694 5.6889 5.7071 5.7596 6.4988 6.5090 6.5396 6.5552 6.9016 6.9115 6.9815 6.9896 7.2177 7.2440 7.2541 7.2744 7.4693 7.4836 7.5089 7.5314 10.4588 10.4599 k = 0.3125 0.2429 0.7533 ( 5849 PWs) bands (ev): -6.5015 -6.4994 -6.4534 -6.4521 -6.2906 -6.2892 -6.2683 -6.2658 1.3101 1.3436 1.3965 1.4089 1.4968 1.5238 1.5343 1.5592 1.6717 1.7046 1.7198 1.8207 1.9246 1.9683 1.9713 2.0309 2.0484 2.0749 2.1135 2.1478 2.3823 2.3899 2.4072 2.4374 2.8401 2.8938 2.9445 3.0672 3.3745 3.4639 3.4986 3.5268 4.0569 4.0987 4.2192 4.2397 4.4310 4.4835 4.5384 4.5390 4.9766 4.9806 5.0141 5.0549 5.6691 5.6916 5.7121 5.7614 6.4831 6.4939 6.5288 6.5449 6.9000 6.9112 6.9860 6.9959 7.2160 7.2394 7.2495 7.2714 7.4761 7.4882 7.5155 7.5346 10.4426 10.4438 k = 0.3250 0.2526 0.7410 ( 5854 PWs) bands (ev): -6.5050 -6.5030 -6.4507 -6.4496 -6.2916 -6.2903 -6.2665 -6.2640 1.2997 1.3366 1.3997 1.4032 1.4951 1.5201 1.5382 1.5619 1.6732 1.7063 1.7245 1.8143 1.9339 1.9666 1.9692 2.0365 2.0611 2.0771 2.1183 2.1610 2.3769 2.3866 2.4058 2.4355 2.8392 2.9002 2.9482 3.0681 3.3736 3.4581 3.4996 3.5253 4.0410 4.0824 4.2159 4.2423 4.4445 4.4920 4.5571 4.5583 4.9663 4.9723 5.0075 5.0490 5.6695 5.6947 5.7170 5.7634 6.4670 6.4782 6.5143 6.5311 6.9001 6.9134 6.9876 6.9996 7.2142 7.2348 7.2463 7.2683 7.4837 7.4906 7.5239 7.5377 10.4262 10.4276 k = 0.3375 0.2623 0.7287 ( 5860 PWs) bands (ev): -6.5079 -6.5060 -6.4486 -6.4477 -6.2922 -6.2910 -6.2651 -6.2627 1.2897 1.3292 1.3943 1.4003 1.4948 1.5169 1.5429 1.5640 1.6752 1.7087 1.7298 1.8090 1.9424 1.9665 1.9671 2.0408 2.0745 2.0818 2.1241 2.1748 2.3713 2.3824 2.4042 2.4333 2.8395 2.9066 2.9522 3.0690 3.3727 3.4524 3.5000 3.5230 4.0260 4.0683 4.2113 4.2438 4.4588 4.5018 4.5767 4.5796 4.9541 4.9623 5.0006 5.0428 5.6705 5.6981 5.7219 5.7655 6.4509 6.4621 6.4968 6.5141 6.9013 6.9177 6.9860 7.0005 7.2127 7.2303 7.2447 7.2654 7.4905 7.4908 7.5335 7.5415 10.4103 10.4121 k = 0.3500 0.2720 0.7164 ( 5861 PWs) bands (ev): -6.5102 -6.5084 -6.4470 -6.4462 -6.2926 -6.2915 -6.2642 -6.2618 1.2801 1.3216 1.3826 1.3975 1.4962 1.5150 1.5476 1.5656 1.6777 1.7115 1.7355 1.8047 1.9492 1.9652 1.9684 2.0435 2.0885 2.0890 2.1311 2.1890 2.3658 2.3772 2.4028 2.4309 2.8411 2.9130 2.9566 3.0699 3.3717 3.4466 3.4998 3.5198 4.0128 4.0567 4.2056 4.2440 4.4736 4.5125 4.5975 4.6020 4.9402 4.9507 4.9937 5.0363 5.6721 5.7017 5.7266 5.7677 6.4351 6.4458 6.4770 6.4949 6.9030 6.9233 6.9817 6.9991 7.2118 7.2262 7.2444 7.2630 7.4891 7.4949 7.5435 7.5467 10.3961 10.3983 k = 0.3625 0.2817 0.7041 ( 5867 PWs) bands (ev): -6.5118 -6.5102 -6.4459 -6.4453 -6.2927 -6.2917 -6.2637 -6.2614 1.2711 1.3141 1.3688 1.3914 1.4987 1.5148 1.5521 1.5665 1.6808 1.7147 1.7418 1.8016 1.9534 1.9635 1.9727 2.0446 2.0984 2.1028 2.1394 2.2035 2.3605 2.3712 2.4018 2.4284 2.8440 2.9190 2.9613 3.0707 3.3708 3.4409 3.4989 3.5157 4.0016 4.0479 4.1990 4.2431 4.4887 4.5239 4.6189 4.6249 4.9249 4.9377 4.9869 5.0297 5.6742 5.7052 5.7313 5.7701 6.4194 6.4292 6.4557 6.4740 6.9045 6.9293 6.9752 6.9959 7.2119 7.2227 7.2454 7.2612 7.4857 7.4958 7.5528 7.5532 10.3844 10.3872 k = 0.3750 0.2914 0.6918 ( 5867 PWs) bands (ev): -6.5128 -6.5114 -6.4454 -6.4449 -6.2925 -6.2915 -6.2637 -6.2615 1.2626 1.3067 1.3536 1.3821 1.5017 1.5161 1.5562 1.5670 1.6844 1.7181 1.7487 1.7997 1.9557 1.9619 1.9782 2.0444 2.1095 2.1175 2.1491 2.2182 2.3556 2.3643 2.4012 2.4258 2.8481 2.9244 2.9668 3.0714 3.3698 3.4352 3.4974 3.5110 3.9930 4.0422 4.1916 4.2409 4.5041 4.5359 4.6406 4.6478 4.9086 4.9239 4.9802 5.0231 5.6768 5.7086 5.7362 5.7725 6.4038 6.4124 6.4336 6.4523 6.9052 6.9348 6.9672 6.9912 7.2130 7.2200 7.2473 7.2603 7.4809 7.4935 7.5602 7.5605 10.3760 10.3796 k = 0.3875 0.3011 0.6795 ( 5868 PWs) bands (ev): -6.5131 -6.5119 -6.4455 -6.4451 -6.2920 -6.2911 -6.2641 -6.2621 1.2547 1.2994 1.3378 1.3706 1.5046 1.5182 1.5597 1.5671 1.6886 1.7215 1.7561 1.7990 1.9571 1.9605 1.9837 2.0433 2.1216 2.1324 2.1600 2.2330 2.3513 2.3570 2.4013 2.4235 2.8534 2.9289 2.9732 3.0719 3.3690 3.4294 3.4952 3.5056 3.9873 4.0395 4.1835 4.2374 4.5195 4.5481 4.6619 4.6698 4.8920 4.9099 4.9736 5.0164 5.6797 5.7114 5.7412 5.7749 6.3880 6.3953 6.4118 6.4303 6.9047 6.9384 6.9588 6.9853 7.2152 7.2182 7.2504 7.2606 7.4750 7.4885 7.5660 7.5664 10.3719 10.3763 k = 0.4000 0.3109 0.6672 ( 5866 PWs) bands (ev): -6.5127 -6.5117 -6.4462 -6.4459 -6.2912 -6.2904 -6.2649 -6.2631 1.2473 1.2918 1.3223 1.3575 1.5071 1.5203 1.5627 1.5671 1.6932 1.7248 1.7641 1.7994 1.9582 1.9591 1.9886 2.0414 2.1345 2.1476 2.1719 2.2474 2.3477 2.3493 2.4020 2.4215 2.8597 2.9321 2.9806 3.0721 3.3682 3.4235 3.4925 3.4998 3.9847 4.0400 4.1748 4.2328 4.5350 4.5606 4.6822 4.6903 4.8757 4.8964 4.9673 5.0097 5.6830 5.7138 5.7465 5.7774 6.3715 6.3779 6.3911 6.4085 6.9028 6.9375 6.9524 6.9784 7.2174 7.2183 7.2548 7.2623 7.4681 7.4815 7.5687 7.5706 10.3725 10.3777 k = 0.4125 0.3206 0.6549 ( 5862 PWs) bands (ev): -6.5116 -6.5108 -6.4476 -6.4473 -6.2901 -6.2893 -6.2660 -6.2645 1.2403 1.2834 1.3081 1.3437 1.5088 1.5218 1.5651 1.5670 1.6983 1.7280 1.7727 1.8011 1.9579 1.9591 1.9926 2.0389 2.1480 2.1629 2.1843 2.2613 2.3419 2.3449 2.4035 2.4201 2.8670 2.9342 2.9891 3.0720 3.3675 3.4174 3.4891 3.4937 3.9853 4.0435 4.1655 4.2269 4.5504 4.5730 4.7002 4.7077 4.8610 4.8848 4.9614 5.0030 5.6865 5.7156 5.7519 5.7797 6.3539 6.3603 6.3724 6.3874 6.8996 6.9302 6.9497 6.9705 7.2175 7.2219 7.2606 7.2658 7.4608 7.4731 7.5681 7.5720 10.3783 10.3843 k = 0.4250 0.3303 0.6426 ( 5858 PWs) bands (ev): -6.5098 -6.5092 -6.4498 -6.4496 -6.2887 -6.2880 -6.2674 -6.2660 1.2339 1.2733 1.2962 1.3296 1.5097 1.5221 1.5669 1.5669 1.7038 1.7309 1.7816 1.8037 1.9568 1.9597 1.9959 2.0357 2.1620 2.1783 2.1970 2.2739 2.3352 2.3433 2.4058 2.4196 2.8751 2.9353 2.9983 3.0715 3.3669 3.4111 3.4852 3.4876 3.9892 4.0499 4.1557 4.2198 4.5655 4.5852 4.7143 4.7205 4.8495 4.8765 4.9559 4.9965 5.6904 5.7170 5.7572 5.7818 6.3357 6.3429 6.3557 6.3673 6.8949 6.9197 6.9472 6.9617 7.2186 7.2257 7.2675 7.2708 7.4537 7.4640 7.5639 7.5700 10.3896 10.3964 k = 0.4375 0.3400 0.6303 ( 5855 PWs) bands (ev): -6.5074 -6.5069 -6.4530 -6.4527 -6.2871 -6.2865 -6.2688 -6.2678 1.2278 1.2613 1.2872 1.3157 1.5097 1.5212 1.5667 1.5679 1.7097 1.7336 1.7908 1.8074 1.9559 1.9601 1.9986 2.0321 2.1765 2.1936 2.2098 2.2839 2.3307 2.3428 2.4090 2.4201 2.8837 2.9355 3.0081 3.0707 3.3665 3.4045 3.4808 3.4815 3.9963 4.0589 4.1456 4.2115 4.5800 4.5969 4.7223 4.7270 4.8435 4.8728 4.9514 4.9901 5.6945 5.7180 5.7624 5.7836 6.3179 6.3260 6.3403 6.3480 6.8888 6.9082 6.9429 6.9522 7.2207 7.2299 7.2745 7.2768 7.4478 7.4549 7.5559 7.5644 10.4063 10.4140 k = 0.4500 0.3497 0.6180 ( 5851 PWs) bands (ev): -6.5042 -6.5039 -6.4570 -6.4567 -6.2852 -6.2846 -6.2703 -6.2695 1.2220 1.2483 1.2802 1.3023 1.5089 1.5191 1.5663 1.5681 1.7159 1.7360 1.8002 1.8119 1.9553 1.9601 2.0009 2.0280 2.1915 2.2081 2.2226 2.2889 2.3309 2.3437 2.4133 2.4218 2.8929 2.9352 3.0183 3.0693 3.3661 3.3975 3.4755 3.4760 4.0066 4.0699 4.1356 4.2018 4.5939 4.6078 4.7228 4.7265 4.8445 4.8740 4.9484 4.9840 5.6989 5.7186 5.7673 5.7848 6.3016 6.3102 6.3256 6.3297 6.8813 6.8960 6.9366 6.9421 7.2239 7.2345 7.2799 7.2827 7.4446 7.4473 7.5441 7.5551 10.4285 10.4370 k = 0.4625 0.3594 0.6057 ( 5857 PWs) bands (ev): -6.5003 -6.5003 -6.4622 -6.4619 -6.2831 -6.2826 -6.2716 -6.2711 1.2165 1.2352 1.2741 1.2897 1.5076 1.5158 1.5655 1.5674 1.7223 1.7381 1.8094 1.8170 1.9550 1.9599 2.0031 2.0236 2.2068 2.2211 2.2357 2.2879 2.3365 2.3462 2.4186 2.4248 2.9024 2.9345 3.0285 3.0675 3.3658 3.3901 3.4698 3.4709 4.0198 4.0814 4.1269 4.1910 4.6064 4.6172 4.7172 4.7204 4.8514 4.8779 4.9478 4.9783 5.7035 5.7190 5.7718 5.7854 6.2873 6.2957 6.3115 6.3125 6.8725 6.8832 6.9283 6.9313 7.2282 7.2397 7.2818 7.2866 7.4429 7.4458 7.5288 7.5420 10.4557 10.4649 k = 0.4750 0.3691 0.5934 ( 5853 PWs) bands (ev): -6.4959 -6.4958 -6.4686 -6.4682 -6.2808 -6.2804 -6.2726 -6.2724 1.2112 1.2228 1.2686 1.2779 1.5057 1.5117 1.5641 1.5658 1.7288 1.7398 1.8184 1.8227 1.9552 1.9593 2.0051 2.0190 2.2224 2.2323 2.2494 2.2834 2.3453 2.3504 2.4251 2.4292 2.9122 2.9337 3.0387 3.0651 3.3657 3.3824 3.4644 3.4656 4.0358 4.0884 4.1245 4.1790 4.6170 4.6243 4.7087 4.7113 4.8615 4.8816 4.9507 4.9734 5.7084 5.7191 5.7759 5.7854 6.2752 6.2824 6.2970 6.2981 6.8625 6.8697 6.9184 6.9200 7.2337 7.2453 7.2791 7.2863 7.4435 7.4523 7.5104 7.5256 10.4876 10.4975 k = 0.4875 0.3789 0.5811 ( 5849 PWs) bands (ev): -6.4909 -6.4906 -6.4761 -6.4757 -6.2785 -6.2782 -6.2730 -6.2730 1.2060 1.2113 1.2631 1.2673 1.5036 1.5069 1.5623 1.5633 1.7354 1.7411 1.8270 1.8288 1.9559 1.9584 2.0073 2.0142 2.2377 2.2418 2.2631 2.2784 2.3551 2.3565 2.4328 2.4348 2.9221 2.9328 3.0488 3.0622 3.3657 3.3742 3.4594 3.4602 4.0539 4.0843 4.1347 4.1660 4.6241 4.6277 4.7007 4.7022 4.8722 4.8829 4.9574 4.9694 5.7134 5.7189 5.7798 5.7847 6.2654 6.2700 6.2841 6.2856 6.8517 6.8554 6.9073 6.9080 7.2400 7.2496 7.2731 7.2806 7.4503 7.4635 7.4904 7.5065 10.5236 10.5341 k = 0.5000 0.3886 0.5688 ( 5846 PWs) bands (ev): -6.4858 -6.4858 -6.4839 -6.4839 -6.2766 -6.2766 -6.2725 -6.2725 1.2009 1.2009 1.2577 1.2577 1.5014 1.5014 1.5600 1.5600 1.7420 1.7420 1.8351 1.8351 1.9573 1.9573 2.0095 2.0095 2.2501 2.2501 2.2763 2.2763 2.3647 2.3647 2.4416 2.4416 2.9321 2.9321 3.0587 3.0587 3.3657 3.3657 3.4547 3.4547 4.0735 4.0735 4.1526 4.1526 4.6258 4.6258 4.6959 4.6959 4.8818 4.8818 4.9666 4.9666 5.7184 5.7184 5.7834 5.7834 6.2578 6.2578 6.2745 6.2745 6.8402 6.8402 6.8951 6.8951 7.2455 7.2455 7.2711 7.2711 7.4620 7.4620 7.4861 7.4861 10.5630 10.5630 k = 0.5000 0.3886 0.5688 ( 5846 PWs) bands (ev): -6.4858 -6.4858 -6.4839 -6.4839 -6.2766 -6.2766 -6.2725 -6.2725 1.2009 1.2009 1.2577 1.2577 1.5014 1.5014 1.5600 1.5600 1.7420 1.7420 1.8351 1.8351 1.9573 1.9573 2.0095 2.0095 2.2501 2.2501 2.2763 2.2763 2.3647 2.3647 2.4416 2.4416 2.9321 2.9321 3.0587 3.0587 3.3657 3.3657 3.4547 3.4547 4.0735 4.0735 4.1526 4.1526 4.6258 4.6258 4.6959 4.6959 4.8818 4.8818 4.9666 4.9666 5.7184 5.7184 5.7834 5.7834 6.2578 6.2578 6.2745 6.2745 6.8402 6.8402 6.8951 6.8951 7.2455 7.2455 7.2711 7.2711 7.4620 7.4620 7.4861 7.4861 10.5630 10.5630 k = 0.5000 0.3886 0.5485 ( 5854 PWs) bands (ev): -6.4888 -6.4888 -6.4870 -6.4870 -6.2742 -6.2742 -6.2699 -6.2699 1.1885 1.1885 1.2457 1.2457 1.4944 1.4944 1.5544 1.5544 1.7479 1.7479 1.8462 1.8462 1.9584 1.9584 2.0077 2.0077 2.2609 2.2609 2.2912 2.2912 2.3804 2.3804 2.4561 2.4561 2.9400 2.9400 3.0638 3.0638 3.3585 3.3585 3.4465 3.4465 4.0796 4.0796 4.1575 4.1575 4.6210 4.6210 4.6901 4.6901 4.8876 4.8876 4.9732 4.9732 5.7222 5.7222 5.7851 5.7851 6.2423 6.2423 6.2595 6.2595 6.8169 6.8169 6.8728 6.8728 7.2391 7.2391 7.2648 7.2648 7.4569 7.4569 7.4834 7.4834 10.5953 10.5953 k = 0.5000 0.3886 0.5282 ( 5862 PWs) bands (ev): -6.4923 -6.4923 -6.4906 -6.4906 -6.2712 -6.2712 -6.2668 -6.2668 1.1764 1.1764 1.2335 1.2335 1.4868 1.4868 1.5477 1.5477 1.7536 1.7536 1.8562 1.8562 1.9606 1.9606 2.0065 2.0065 2.2682 2.2682 2.3100 2.3100 2.3967 2.3967 2.4723 2.4723 2.9484 2.9484 3.0693 3.0693 3.3512 3.3512 3.4382 3.4382 4.0856 4.0856 4.1612 4.1612 4.6172 4.6172 4.6846 4.6846 4.8939 4.8939 4.9798 4.9798 5.7265 5.7265 5.7871 5.7871 6.2272 6.2272 6.2447 6.2447 6.7921 6.7921 6.8490 6.8490 7.2320 7.2320 7.2579 7.2579 7.4529 7.4529 7.4820 7.4820 10.6285 10.6285 k = 0.5000 0.3886 0.5078 ( 5860 PWs) bands (ev): -6.4964 -6.4964 -6.4947 -6.4947 -6.2677 -6.2677 -6.2631 -6.2631 1.1646 1.1646 1.2213 1.2213 1.4788 1.4788 1.5399 1.5399 1.7590 1.7590 1.8645 1.8645 1.9641 1.9641 2.0055 2.0055 2.2746 2.2746 2.3301 2.3301 2.4135 2.4135 2.4903 2.4903 2.9574 2.9574 3.0751 3.0751 3.3439 3.3439 3.4299 3.4299 4.0913 4.0913 4.1636 4.1636 4.6147 4.6147 4.6797 4.6797 4.9005 4.9005 4.9865 4.9865 5.7312 5.7312 5.7893 5.7893 6.2125 6.2125 6.2301 6.2301 6.7664 6.7664 6.8240 6.8240 7.2245 7.2245 7.2506 7.2506 7.4500 7.4500 7.4817 7.4817 10.6622 10.6622 k = 0.5000 0.3886 0.4875 ( 5858 PWs) bands (ev): -6.5010 -6.5010 -6.4993 -6.4993 -6.2636 -6.2636 -6.2589 -6.2589 1.1529 1.1529 1.2091 1.2091 1.4704 1.4704 1.5314 1.5314 1.7641 1.7641 1.8708 1.8708 1.9688 1.9688 2.0047 2.0047 2.2813 2.2813 2.3504 2.3504 2.4308 2.4308 2.5099 2.5099 2.9667 2.9667 3.0812 3.0812 3.3364 3.3364 3.4215 3.4215 4.0963 4.0963 4.1645 4.1645 4.6134 4.6134 4.6756 4.6756 4.9076 4.9076 4.9931 4.9931 5.7362 5.7362 5.7917 5.7917 6.1982 6.1982 6.2159 6.2159 6.7405 6.7405 6.7984 6.7984 7.2166 7.2166 7.2428 7.2428 7.4479 7.4479 7.4819 7.4819 10.6960 10.6960 k = 0.5000 0.3886 0.4672 ( 5858 PWs) bands (ev): -6.5060 -6.5060 -6.5043 -6.5043 -6.2590 -6.2590 -6.2542 -6.2542 1.1416 1.1416 1.1969 1.1969 1.4618 1.4618 1.5221 1.5221 1.7689 1.7689 1.8751 1.8751 1.9744 1.9744 2.0038 2.0038 2.2888 2.2888 2.3702 2.3702 2.4490 2.4490 2.5310 2.5310 2.9765 2.9765 3.0876 3.0876 3.3289 3.3289 3.4131 3.4131 4.1004 4.1004 4.1640 4.1640 4.6134 4.6134 4.6728 4.6728 4.9149 4.9149 4.9995 4.9995 5.7416 5.7416 5.7942 5.7942 6.1844 6.1844 6.2020 6.2020 6.7149 6.7149 6.7726 6.7726 7.2084 7.2084 7.2346 7.2346 7.4463 7.4463 7.4825 7.4825 10.7296 10.7296 k = 0.5000 0.3886 0.4469 ( 5854 PWs) bands (ev): -6.5115 -6.5115 -6.5098 -6.5098 -6.2539 -6.2539 -6.2491 -6.2491 1.1306 1.1306 1.1848 1.1848 1.4530 1.4530 1.5122 1.5122 1.7733 1.7733 1.8776 1.8776 1.9805 1.9805 2.0028 2.0028 2.2974 2.2974 2.3890 2.3890 2.4683 2.4683 2.5533 2.5533 2.9867 2.9867 3.0943 3.0943 3.3214 3.3214 3.4047 3.4047 4.1032 4.1032 4.1622 4.1622 4.6147 4.6147 4.6714 4.6714 4.9225 4.9225 5.0057 5.0057 5.7474 5.7474 5.7969 5.7969 6.1708 6.1708 6.1884 6.1884 6.6904 6.6904 6.7474 6.7474 7.1999 7.1999 7.2263 7.2263 7.4451 7.4451 7.4831 7.4831 10.7626 10.7626 k = 0.5000 0.3886 0.4266 ( 5860 PWs) bands (ev): -6.5174 -6.5174 -6.5155 -6.5155 -6.2484 -6.2484 -6.2436 -6.2436 1.1198 1.1198 1.1728 1.1728 1.4441 1.4441 1.5019 1.5019 1.7775 1.7775 1.8785 1.8785 1.9865 1.9865 2.0016 2.0016 2.3072 2.3072 2.4063 2.4063 2.4890 2.4890 2.5768 2.5768 2.9972 2.9972 3.1012 3.1012 3.3139 3.3139 3.3961 3.3961 4.1043 4.1043 4.1593 4.1593 4.6175 4.6175 4.6718 4.6718 4.9302 4.9302 5.0116 5.0116 5.7533 5.7533 5.7996 5.7996 6.1573 6.1573 6.1747 6.1747 6.6677 6.6677 6.7234 6.7234 7.1913 7.1913 7.2177 7.2177 7.4440 7.4440 7.4835 7.4835 10.7946 10.7946 k = 0.5000 0.3886 0.4063 ( 5854 PWs) bands (ev): -6.5235 -6.5235 -6.5216 -6.5216 -6.2426 -6.2426 -6.2377 -6.2377 1.1094 1.1094 1.1610 1.1610 1.4352 1.4352 1.4912 1.4912 1.7814 1.7814 1.8783 1.8783 1.9916 1.9916 2.0007 2.0007 2.3182 2.3182 2.4222 2.4222 2.5111 2.5111 2.6013 2.6013 3.0080 3.0080 3.1084 3.1084 3.3063 3.3063 3.3875 3.3875 4.1037 4.1037 4.1556 4.1556 4.6217 4.6217 4.6738 4.6738 4.9380 4.9380 5.0171 5.0171 5.7595 5.7595 5.8024 5.8024 6.1434 6.1434 6.1609 6.1609 6.6477 6.6477 6.7014 6.7014 7.1826 7.1826 7.2091 7.2091 7.4426 7.4426 7.4835 7.4835 10.8252 10.8252 k = 0.5000 0.3886 0.3860 ( 5854 PWs) bands (ev): -6.5298 -6.5298 -6.5278 -6.5278 -6.2364 -6.2364 -6.2316 -6.2316 1.0994 1.0994 1.1494 1.1494 1.4264 1.4264 1.4803 1.4803 1.7850 1.7850 1.8773 1.8773 1.9934 1.9934 2.0020 2.0020 2.3302 2.3302 2.4366 2.4366 2.5347 2.5347 2.6266 2.6266 3.0191 3.0191 3.1157 3.1157 3.2987 3.2987 3.3787 3.3787 4.1010 4.1010 4.1512 4.1512 4.6273 4.6273 4.6776 4.6776 4.9459 4.9459 5.0222 5.0222 5.7658 5.7658 5.8053 5.8053 6.1289 6.1289 6.1466 6.1466 6.6310 6.6310 6.6821 6.6821 7.1739 7.1739 7.2004 7.2004 7.4408 7.4408 7.4827 7.4827 10.8540 10.8540 k = 0.5000 0.3886 0.3656 ( 5846 PWs) bands (ev): -6.5363 -6.5363 -6.5342 -6.5342 -6.2301 -6.2301 -6.2253 -6.2253 1.0897 1.0897 1.1380 1.1380 1.4177 1.4177 1.4693 1.4693 1.7883 1.7883 1.8756 1.8756 1.9918 1.9918 2.0055 2.0055 2.3429 2.3429 2.4496 2.4496 2.5595 2.5595 2.6526 2.6526 3.0304 3.0304 3.1230 3.1230 3.2910 3.2910 3.3697 3.3697 4.0966 4.0966 4.1463 4.1463 4.6345 4.6345 4.6829 4.6829 4.9536 4.9536 5.0267 5.0267 5.7721 5.7721 5.8081 5.8081 6.1131 6.1131 6.1315 6.1315 6.6185 6.6185 6.6664 6.6664 7.1652 7.1652 7.1918 7.1918 7.4384 7.4384 7.4812 7.4812 10.8807 10.8807 k = 0.5000 0.3886 0.3453 ( 5850 PWs) bands (ev): -6.5428 -6.5428 -6.5407 -6.5407 -6.2235 -6.2235 -6.2189 -6.2189 1.0804 1.0804 1.1269 1.1269 1.4092 1.4092 1.4583 1.4583 1.7913 1.7913 1.8734 1.8734 1.9890 1.9890 2.0091 2.0091 2.3562 2.3562 2.4612 2.4612 2.5852 2.5852 2.6791 2.6791 3.0419 3.0419 3.1304 3.1304 3.2832 3.2832 3.3604 3.3604 4.0906 4.0906 4.1410 4.1410 4.6432 4.6432 4.6897 4.6897 4.9612 4.9612 5.0305 5.0305 5.7784 5.7784 5.8108 5.8108 6.0959 6.0959 6.1152 6.1152 6.6107 6.6107 6.6549 6.6549 7.1565 7.1565 7.1833 7.1833 7.4352 7.4352 7.4786 7.4786 10.9047 10.9047 k = 0.5000 0.3886 0.3250 ( 5852 PWs) bands (ev): -6.5493 -6.5493 -6.5472 -6.5472 -6.2169 -6.2169 -6.2124 -6.2124 1.0715 1.0715 1.1160 1.1160 1.4010 1.4010 1.4474 1.4474 1.7939 1.7939 1.8709 1.8709 1.9857 1.9857 2.0121 2.0121 2.3698 2.3698 2.4717 2.4717 2.6117 2.6117 2.7061 2.7061 3.0533 3.0533 3.1377 3.1377 3.2754 3.2754 3.3509 3.3509 4.0836 4.0836 4.1351 4.1351 4.6534 4.6534 4.6976 4.6976 4.9684 4.9684 5.0336 5.0336 5.7846 5.7846 5.8135 5.8135 6.0769 6.0769 6.0974 6.0974 6.6082 6.6082 6.6483 6.6483 7.1480 7.1480 7.1750 7.1750 7.4309 7.4309 7.4748 7.4748 10.9258 10.9258 k = 0.5000 0.3886 0.3047 ( 5864 PWs) bands (ev): -6.5558 -6.5558 -6.5537 -6.5537 -6.2103 -6.2103 -6.2059 -6.2059 1.0630 1.0630 1.1054 1.1054 1.3931 1.3931 1.4367 1.4367 1.7961 1.7961 1.8681 1.8681 1.9822 1.9822 2.0145 2.0145 2.3834 2.3834 2.4811 2.4811 2.6388 2.6388 2.7335 2.7335 3.0647 3.0647 3.1447 3.1447 3.2674 3.2674 3.3412 3.3412 4.0758 4.0758 4.1286 4.1286 4.6650 4.6650 4.7065 4.7065 4.9751 4.9751 5.0360 5.0360 5.7905 5.7905 5.8159 5.8159 6.0561 6.0561 6.0778 6.0778 6.6110 6.6110 6.6471 6.6471 7.1396 7.1396 7.1670 7.1670 7.4255 7.4255 7.4697 7.4697 10.9435 10.9435 k = 0.5000 0.3886 0.2844 ( 5876 PWs) bands (ev): -6.5621 -6.5621 -6.5600 -6.5600 -6.2038 -6.2038 -6.1995 -6.1995 1.0550 1.0550 1.0952 1.0952 1.3855 1.3855 1.4263 1.4263 1.7980 1.7980 1.8651 1.8651 1.9789 1.9789 2.0161 2.0161 2.3968 2.3968 2.4893 2.4893 2.6663 2.6663 2.7611 2.7611 3.0758 3.0758 3.1514 3.1514 3.2595 3.2595 3.3311 3.3311 4.0678 4.0678 4.1217 4.1217 4.6779 4.6779 4.7162 4.7162 4.9812 4.9812 5.0375 5.0375 5.7962 5.7962 5.8182 5.8182 6.0336 6.0336 6.0565 6.0565 6.6193 6.6193 6.6513 6.6513 7.1315 7.1315 7.1592 7.1592 7.4187 7.4187 7.4631 7.4631 10.9574 10.9574 k = 0.5000 0.3886 0.2641 ( 5868 PWs) bands (ev): -6.5682 -6.5682 -6.5662 -6.5662 -6.1973 -6.1973 -6.1933 -6.1933 1.0474 1.0474 1.0853 1.0853 1.3784 1.3784 1.4163 1.4163 1.7995 1.7995 1.8619 1.8619 1.9759 1.9759 2.0171 2.0171 2.4099 2.4099 2.4967 2.4967 2.6940 2.6940 2.7888 2.7888 3.0864 3.0864 3.1577 3.1577 3.2517 3.2517 3.3208 3.3208 4.0599 4.0599 4.1144 4.1144 4.6919 4.6919 4.7266 4.7266 4.9865 4.9865 5.0381 5.0381 5.8016 5.8016 5.8204 5.8204 6.0099 6.0099 6.0338 6.0338 6.6327 6.6327 6.6611 6.6611 7.1237 7.1237 7.1520 7.1520 7.4105 7.4105 7.4549 7.4549 10.9670 10.9671 k = 0.5000 0.3886 0.2438 ( 5866 PWs) bands (ev): -6.5740 -6.5740 -6.5721 -6.5721 -6.1911 -6.1911 -6.1872 -6.1872 1.0404 1.0404 1.0759 1.0759 1.3718 1.3718 1.4067 1.4067 1.8006 1.8006 1.8584 1.8584 1.9733 1.9733 2.0175 2.0175 2.4224 2.4224 2.5031 2.5031 2.7218 2.7218 2.8165 2.8165 3.0963 3.0963 3.1632 3.1632 3.2441 3.2441 3.3102 3.3102 4.0524 4.0524 4.1068 4.1068 4.7068 4.7068 4.7378 4.7378 4.9908 4.9908 5.0379 5.0379 5.8066 5.8066 5.8222 5.8222 5.9855 5.9855 6.0098 6.0098 6.6508 6.6508 6.6760 6.6760 7.1163 7.1163 7.1452 7.1452 7.4008 7.4008 7.4450 7.4450 10.9718 10.9718 k = 0.5000 0.3886 0.2234 ( 5854 PWs) bands (ev): -6.5796 -6.5796 -6.5778 -6.5778 -6.1851 -6.1851 -6.1815 -6.1815 1.0338 1.0338 1.0668 1.0668 1.3657 1.3657 1.3977 1.3977 1.8014 1.8014 1.8547 1.8547 1.9715 1.9715 2.0174 2.0174 2.4343 2.4343 2.5085 2.5085 2.7496 2.7496 2.8442 2.8442 3.1051 3.1051 3.1678 3.1678 3.2370 3.2370 3.2994 3.2994 4.0456 4.0456 4.0992 4.0992 4.7224 4.7224 4.7496 4.7496 4.9941 4.9941 5.0368 5.0368 5.8111 5.8111 5.8236 5.8236 5.9608 5.9608 5.9851 5.9851 6.6730 6.6730 6.6957 6.6957 7.1094 7.1094 7.1391 7.1391 7.3893 7.3893 7.4332 7.4332 10.9713 10.9713 k = 0.5000 0.3886 0.2031 ( 5858 PWs) bands (ev): -6.5848 -6.5848 -6.5831 -6.5831 -6.1794 -6.1794 -6.1760 -6.1760 1.0279 1.0279 1.0582 1.0582 1.3602 1.3602 1.3892 1.3892 1.8018 1.8018 1.8508 1.8508 1.9704 1.9704 2.0168 2.0168 2.4455 2.4455 2.5130 2.5130 2.7772 2.7772 2.8715 2.8715 3.1122 3.1122 3.1714 3.1714 3.2306 3.2306 3.2884 3.2884 4.0396 4.0396 4.0915 4.0915 4.7382 4.7382 4.7622 4.7622 4.9960 4.9960 5.0349 5.0349 5.8148 5.8148 5.8244 5.8244 5.9365 5.9365 5.9604 5.9604 6.6985 6.6985 6.7196 6.7196 7.1030 7.1030 7.1338 7.1338 7.3761 7.3761 7.4196 7.4196 10.9653 10.9653 k = 0.5000 0.3886 0.1828 ( 5860 PWs) bands (ev): -6.5897 -6.5897 -6.5881 -6.5881 -6.1741 -6.1741 -6.1710 -6.1710 1.0225 1.0225 1.0501 1.0501 1.3552 1.3552 1.3813 1.3813 1.8021 1.8021 1.8466 1.8466 1.9700 1.9700 2.0157 2.0157 2.4558 2.4558 2.5167 2.5167 2.8045 2.8045 2.8986 2.8986 3.1171 3.1171 3.1740 3.1740 3.2252 3.2252 3.2772 3.2772 4.0345 4.0345 4.0840 4.0840 4.7541 4.7541 4.7755 4.7755 4.9965 4.9965 5.0322 5.0322 5.8174 5.8174 5.8244 5.8244 5.9137 5.9137 5.9364 5.9364 6.7267 6.7267 6.7470 6.7470 7.0973 7.0973 7.1294 7.1294 7.3611 7.3611 7.4040 7.4040 10.9544 10.9544 k = 0.5000 0.3886 0.1625 ( 5864 PWs) bands (ev): -6.5941 -6.5941 -6.5927 -6.5927 -6.1691 -6.1691 -6.1663 -6.1663 1.0178 1.0178 1.0425 1.0425 1.3509 1.3509 1.3741 1.3741 1.8023 1.8023 1.8422 1.8422 1.9704 1.9704 2.0142 2.0142 2.4655 2.4655 2.5195 2.5195 2.8314 2.8314 2.9251 2.9251 3.1188 3.1188 3.1758 3.1758 3.2209 3.2209 3.2663 3.2663 4.0305 4.0305 4.0767 4.0767 4.7695 4.7695 4.7897 4.7897 4.9955 4.9955 5.0288 5.0288 5.8182 5.8182 5.8234 5.8234 5.8931 5.8931 5.9141 5.9141 6.7568 6.7568 6.7769 6.7769 7.0925 7.0925 7.1262 7.1262 7.3441 7.3441 7.3863 7.3863 10.9401 10.9402 k = 0.5000 0.3886 0.1422 ( 5872 PWs) bands (ev): -6.5981 -6.5981 -6.5968 -6.5968 -6.1646 -6.1646 -6.1622 -6.1622 1.0137 1.0137 1.0356 1.0356 1.3472 1.3472 1.3675 1.3675 1.8025 1.8025 1.8377 1.8377 1.9716 1.9716 2.0123 2.0123 2.4743 2.4743 2.5215 2.5215 2.8578 2.8578 2.9510 2.9510 3.1169 3.1169 3.1772 3.1772 3.2175 3.2175 3.2558 3.2558 4.0275 4.0275 4.0697 4.0697 4.7844 4.7844 4.8045 4.8045 4.9930 4.9930 5.0246 5.0246 5.8155 5.8155 5.8216 5.8216 5.8762 5.8762 5.8949 5.8949 6.7878 6.7878 6.8084 6.8084 7.0888 7.0888 7.1245 7.1245 7.3253 7.3253 7.3668 7.3668 10.9246 10.9246 k = 0.5000 0.3886 0.1219 ( 5874 PWs) bands (ev): -6.6016 -6.6016 -6.6004 -6.6004 -6.1606 -6.1606 -6.1585 -6.1585 1.0103 1.0103 1.0292 1.0292 1.3442 1.3442 1.3616 1.3616 1.8027 1.8027 1.8332 1.8332 1.9734 1.9734 2.0101 2.0101 2.4824 2.4824 2.5228 2.5228 2.8836 2.8836 2.9761 2.9761 3.1113 3.1113 3.1777 3.1777 3.2145 3.2145 3.2464 3.2464 4.0256 4.0256 4.0632 4.0632 4.7987 4.7987 4.8195 4.8195 4.9893 4.9893 5.0197 5.0197 5.8090 5.8090 5.8173 5.8173 5.8644 5.8644 5.8801 5.8801 6.8190 6.8190 6.8403 6.8403 7.0866 7.0866 7.1246 7.1246 7.3047 7.3047 7.3453 7.3453 10.9096 10.9096 k = 0.5000 0.3886 0.1016 ( 5876 PWs) bands (ev): -6.6045 -6.6045 -6.6036 -6.6036 -6.1572 -6.1572 -6.1554 -6.1554 1.0076 1.0076 1.0235 1.0235 1.3418 1.3418 1.3563 1.3563 1.8032 1.8032 1.8288 1.8288 1.9757 1.9757 2.0076 2.0076 2.4896 2.4896 2.5233 2.5233 2.9087 2.9087 3.0002 3.0002 3.1026 3.1026 3.1761 3.1761 3.2121 3.2121 3.2389 3.2389 4.0247 4.0247 4.0570 4.0570 4.8125 4.8125 4.8341 4.8341 4.9848 4.9848 5.0141 5.0141 5.7997 5.7997 5.8095 5.8095 5.8580 5.8580 5.8703 5.8703 6.8493 6.8493 6.8712 6.8712 7.0865 7.0865 7.1269 7.1269 7.2824 7.2824 7.3222 7.3222 10.8964 10.8964 k = 0.5000 0.3886 0.0813 ( 5880 PWs) bands (ev): -6.6070 -6.6070 -6.6062 -6.6062 -6.1542 -6.1542 -6.1528 -6.1528 1.0057 1.0057 1.0184 1.0184 1.3402 1.3402 1.3518 1.3518 1.8039 1.8039 1.8245 1.8245 1.9785 1.9785 2.0048 2.0048 2.4961 2.4961 2.5230 2.5230 2.9329 2.9329 3.0229 3.0229 3.0918 3.0918 3.1705 3.1705 3.2112 3.2112 3.2334 3.2334 4.0248 4.0248 4.0513 4.0513 4.8256 4.8256 4.8472 4.8472 4.9801 4.9801 5.0076 5.0076 5.7899 5.7899 5.7992 5.7992 5.8554 5.8554 5.8646 5.8646 6.8775 6.8775 6.8993 6.8993 7.0896 7.0896 7.1320 7.1320 7.2587 7.2587 7.2977 7.2977 10.8857 10.8858 k = 0.5000 0.3886 0.0609 ( 5874 PWs) bands (ev): -6.6089 -6.6089 -6.6083 -6.6083 -6.1519 -6.1519 -6.1508 -6.1508 1.0045 1.0045 1.0141 1.0141 1.3392 1.3392 1.3479 1.3479 1.8050 1.8050 1.8206 1.8206 1.9816 1.9816 2.0018 2.0018 2.5019 2.5019 2.5221 2.5221 2.9562 2.9562 3.0420 3.0420 3.0814 3.0814 3.1605 3.1605 3.2121 3.2121 3.2294 3.2294 4.0258 4.0258 4.0460 4.0460 4.8379 4.8379 4.8578 4.8578 4.9763 4.9763 5.0005 5.0005 5.7812 5.7812 5.7889 5.7889 5.8548 5.8548 5.8613 5.8613 6.9024 6.9024 6.9222 6.9222 7.0970 7.0970 7.1403 7.1403 7.2341 7.2341 7.2722 7.2722 10.8779 10.8781 k = 0.5000 0.3886 0.0406 ( 5886 PWs) bands (ev): -6.6102 -6.6102 -6.6098 -6.6098 -6.1502 -6.1502 -6.1494 -6.1494 1.0041 1.0041 1.0106 1.0106 1.3389 1.3389 1.3447 1.3447 1.8065 1.8065 1.8169 1.8169 1.9849 1.9849 1.9986 1.9986 2.5070 2.5070 2.5204 2.5204 2.9784 2.9784 3.0479 3.0479 3.0814 3.0814 3.1471 3.1471 3.2143 3.2143 3.2261 3.2261 4.0275 4.0275 4.0412 4.0412 4.8491 4.8491 4.8648 4.8648 4.9745 4.9745 4.9930 4.9930 5.7748 5.7748 5.7803 5.7803 5.8551 5.8551 5.8592 5.8592 6.9226 6.9226 6.9380 6.9380 7.1097 7.1097 7.1515 7.1515 7.2100 7.2100 7.2466 7.2466 10.8730 10.8747 k = 0.5000 0.3886 0.0203 ( 5902 PWs) bands (ev): -6.6110 -6.6110 -6.6108 -6.6108 -6.1490 -6.1490 -6.1487 -6.1487 1.0045 1.0045 1.0078 1.0078 1.3393 1.3393 1.3422 1.3422 1.8084 1.8084 1.8136 1.8136 1.9883 1.9883 1.9952 1.9952 2.5114 2.5114 2.5181 2.5181 2.9993 2.9993 3.0361 3.0361 3.0963 3.0963 3.1313 3.1313 3.2171 3.2171 3.2231 3.2231 4.0300 4.0300 4.0369 4.0369 4.8583 4.8583 4.8671 4.8671 4.9755 4.9755 4.9857 4.9857 5.7714 5.7714 5.7741 5.7741 5.8558 5.8558 5.8578 5.8578 6.9371 6.9371 6.9456 6.9456 7.1273 7.1273 7.1597 7.1597 7.1928 7.1928 7.2220 7.2220 10.8711 10.8730 k = 0.5000 0.3886-0.0000 ( 5902 PWs) bands (ev): -6.6112 -6.6112 -6.6112 -6.6112 -6.1485 -6.1485 -6.1485 -6.1485 1.0058 1.0058 1.0058 1.0058 1.3404 1.3404 1.3404 1.3404 1.8108 1.8108 1.8108 1.8108 1.9918 1.9918 1.9918 1.9918 2.5150 2.5150 2.5151 2.5151 3.0188 3.0188 3.0189 3.0189 3.1141 3.1141 3.1141 3.1141 3.2201 3.2201 3.2201 3.2201 4.0332 4.0332 4.0332 4.0332 4.8647 4.8647 4.8647 4.8647 4.9795 4.9795 4.9795 4.9795 5.7711 5.7711 5.7711 5.7711 5.8567 5.8567 5.8567 5.8567 6.9450 6.9450 6.9450 6.9450 7.1475 7.1475 7.1476 7.1476 7.2007 7.2007 7.2007 7.2007 10.8716 10.8716 k = 0.0000 0.0000 0.8148 ( 5852 PWs) bands (ev): -6.4777 -6.4777 -6.4738 -6.4738 -6.2803 -6.2803 -6.2776 -6.2776 1.3268 1.3268 1.3383 1.3383 1.5165 1.5165 1.5527 1.5527 1.7100 1.7100 1.7468 1.7468 1.9975 1.9975 2.0413 2.0413 2.1017 2.1017 2.1564 2.1564 2.3068 2.3068 2.3624 2.3624 2.8841 2.8841 3.0276 3.0276 3.4191 3.4191 3.5180 3.5180 4.0415 4.0415 4.0758 4.0758 4.7038 4.7038 4.7102 4.7102 4.8594 4.8594 4.9152 4.9152 5.6994 5.6994 5.7759 5.7759 6.3868 6.3868 6.3884 6.3884 6.9559 6.9559 7.0058 7.0058 7.2782 7.2782 7.3046 7.3046 7.5410 7.5410 7.5762 7.5762 10.3427 10.3427 k = 0.0156 0.0121 0.8148 ( 5858 PWs) bands (ev): -6.4778 -6.4776 -6.4738 -6.4738 -6.2803 -6.2802 -6.2778 -6.2775 1.3249 1.3296 1.3383 1.3389 1.5154 1.5177 1.5499 1.5553 1.7086 1.7110 1.7424 1.7514 1.9972 1.9975 2.0371 2.0447 2.0933 2.1083 2.1529 2.1582 2.3051 2.3106 2.3609 2.3656 2.8775 2.8906 3.0200 3.0343 3.4146 3.4236 3.5172 3.5188 4.0393 4.0454 4.0731 4.0801 4.6946 4.6959 4.7080 4.7167 4.8544 4.8705 4.9085 4.9254 5.6962 5.7020 5.7734 5.7774 6.3869 6.3885 6.3893 6.3911 6.9531 6.9585 7.0032 7.0078 7.2767 7.2794 7.3030 7.3057 7.5388 7.5416 7.5746 7.5762 10.3441 10.3442 k = 0.0312 0.0243 0.8148 ( 5858 PWs) bands (ev): -6.4779 -6.4774 -6.4738 -6.4738 -6.2804 -6.2802 -6.2779 -6.2774 1.3237 1.3331 1.3389 1.3401 1.5143 1.5189 1.5469 1.5577 1.7069 1.7115 1.7384 1.7564 1.9967 1.9972 2.0320 2.0473 2.0836 2.1130 2.1479 2.1580 2.3058 2.3163 2.3610 2.3701 2.8709 2.8968 3.0117 3.0402 3.4103 3.4283 3.5163 3.5196 4.0387 4.0510 4.0721 4.0861 4.6766 4.6816 4.7065 4.7138 4.8573 4.8852 4.9061 4.9381 5.6927 5.7040 5.7698 5.7780 6.3897 6.3915 6.3945 6.3966 6.9501 6.9607 6.9998 7.0091 7.2749 7.2803 7.3007 7.3064 7.5351 7.5409 7.5715 7.5748 10.3484 10.3484 k = 0.0469 0.0364 0.8148 ( 5858 PWs) bands (ev): -6.4780 -6.4772 -6.4738 -6.4737 -6.2804 -6.2802 -6.2781 -6.2773 1.3233 1.3374 1.3400 1.3417 1.5135 1.5201 1.5439 1.5600 1.7047 1.7117 1.7346 1.7616 1.9959 1.9965 2.0260 2.0491 2.0729 2.1159 2.1419 2.1559 2.3089 2.3233 2.3628 2.3757 2.8644 2.9027 3.0026 3.0452 3.4061 3.4331 3.5152 3.5203 4.0397 4.0582 4.0728 4.0936 4.6542 4.6658 4.6992 4.7025 4.8669 4.9014 4.9081 4.9522 5.6889 5.7053 5.7653 5.7777 6.3951 6.3972 6.4020 6.4048 6.9469 6.9625 6.9959 7.0096 7.2730 7.2806 7.2978 7.3066 7.5301 7.5388 7.5669 7.5721 10.3552 10.3553 k = 0.0625 0.0486 0.8148 ( 5862 PWs) bands (ev): -6.4780 -6.4770 -6.4738 -6.4737 -6.2805 -6.2802 -6.2783 -6.2772 1.3236 1.3417 1.3425 1.3439 1.5128 1.5213 1.5406 1.5620 1.7022 1.7114 1.7310 1.7673 1.9949 1.9954 2.0190 2.0499 2.0617 2.1169 2.1354 2.1523 2.3140 2.3311 2.3661 2.3821 2.8582 2.9081 2.9928 3.0496 3.4022 3.4378 3.5140 3.5209 4.0423 4.0670 4.0752 4.1026 4.6299 4.6481 4.6856 4.6870 4.8806 4.9138 4.9181 4.9669 5.6849 5.7060 5.7599 5.7766 6.4030 6.4055 6.4116 6.4154 6.9436 6.9639 6.9914 7.0093 7.2710 7.2805 7.2940 7.3064 7.5237 7.5356 7.5609 7.5682 10.3647 10.3652 k = 0.0781 0.0607 0.8148 ( 5850 PWs) bands (ev): -6.4781 -6.4768 -6.4738 -6.4736 -6.2806 -6.2803 -6.2785 -6.2771 1.3246 1.3438 1.3463 1.3483 1.5124 1.5225 1.5373 1.5636 1.6994 1.7108 1.7277 1.7733 1.9940 1.9941 2.0108 2.0500 2.0507 2.1166 2.1286 2.1475 2.3207 2.3395 2.3706 2.3890 2.8526 2.9130 2.9824 3.0532 3.3985 3.4426 3.5127 3.5215 4.0463 4.0774 4.0794 4.1128 4.6046 4.6293 4.6653 4.6710 4.8961 4.9220 4.9345 4.9817 5.6811 5.7062 5.7537 5.7750 6.4132 6.4161 6.4231 6.4280 6.9403 6.9648 6.9863 7.0082 7.2692 7.2797 7.2894 7.3059 7.5164 7.5315 7.5538 7.5635 10.3760 10.3764 k = 0.0938 0.0729 0.8148 ( 5854 PWs) bands (ev): -6.4781 -6.4766 -6.4738 -6.4735 -6.2807 -6.2803 -6.2788 -6.2771 1.3262 1.3464 1.3490 1.3547 1.5123 1.5237 1.5337 1.5649 1.6963 1.7099 1.7246 1.7796 1.9926 1.9930 2.0012 2.0402 2.0490 2.1150 2.1219 2.1420 2.3285 2.3479 2.3760 2.3962 2.8475 2.9173 2.9715 3.0561 3.3950 3.4473 3.5113 3.5221 4.0515 4.0851 4.0891 4.1242 4.5788 4.6099 4.6432 4.6523 4.9120 4.9317 4.9502 4.9959 5.6774 5.7058 5.7469 5.7730 6.4254 6.4285 6.4361 6.4424 6.9370 6.9651 6.9807 7.0061 7.2674 7.2784 7.2839 7.3051 7.5084 7.5269 7.5455 7.5581 10.3894 10.3898 k = 0.1094 0.0850 0.8148 ( 5854 PWs) bands (ev): -6.4781 -6.4764 -6.4738 -6.4735 -6.2809 -6.2804 -6.2790 -6.2771 1.3284 1.3492 1.3517 1.3617 1.5126 1.5248 1.5299 1.5657 1.6930 1.7088 1.7217 1.7863 1.9902 1.9908 1.9923 2.0309 2.0472 2.1128 2.1156 2.1362 2.3370 2.3562 2.3818 2.4034 2.8433 2.9211 2.9601 3.0585 3.3918 3.4520 3.5097 3.5226 4.0578 4.0923 4.1020 4.1365 4.5529 4.5902 4.6201 4.6319 4.9274 4.9419 4.9649 5.0094 5.6741 5.7049 5.7397 5.7706 6.4393 6.4424 6.4503 6.4579 6.9337 6.9650 6.9746 7.0032 7.2660 7.2766 7.2775 7.3038 7.4999 7.5219 7.5365 7.5523 10.4041 10.4048 k = 0.1250 0.0971 0.8148 ( 5858 PWs) bands (ev): -6.4781 -6.4761 -6.4738 -6.4734 -6.2810 -6.2804 -6.2792 -6.2770 1.3310 1.3522 1.3544 1.3691 1.5135 1.5258 1.5259 1.5659 1.6896 1.7075 1.7190 1.7933 1.9781 1.9889 1.9917 2.0226 2.0444 2.1096 2.1102 2.1304 2.3460 2.3642 2.3877 2.4104 2.8400 2.9244 2.9484 3.0603 3.3889 3.4566 3.5079 3.5232 4.0649 4.1009 4.1160 4.1495 4.5272 4.5709 4.5969 4.6106 4.9418 4.9522 4.9784 5.0218 5.6712 5.7037 5.7320 5.7682 6.4543 6.4575 6.4651 6.4743 6.9306 6.9643 6.9680 6.9993 7.2649 7.2703 7.2742 7.3022 7.4915 7.5169 7.5269 7.5465 10.4199 10.4209 k = 0.1406 0.1093 0.8148 ( 5858 PWs) bands (ev): -6.4781 -6.4759 -6.4738 -6.4733 -6.2811 -6.2805 -6.2794 -6.2770 1.3341 1.3553 1.3567 1.3768 1.5150 1.5218 1.5268 1.5655 1.6862 1.7062 1.7165 1.8007 1.9652 1.9869 1.9916 2.0154 2.0409 2.1043 2.1076 2.1248 2.3550 2.3717 2.3933 2.4170 2.8379 2.9271 2.9366 3.0616 3.3862 3.4610 3.5060 3.5237 4.0726 4.1106 4.1307 4.1629 4.5022 4.5522 4.5739 4.5890 4.9549 4.9621 4.9906 5.0331 5.6690 5.7023 5.7243 5.7657 6.4700 6.4730 6.4802 6.4910 6.9275 6.9611 6.9631 6.9947 7.2625 7.2642 7.2714 7.3001 7.4835 7.5121 7.5172 7.5408 10.4359 10.4372 k = 0.1562 0.1214 0.8148 ( 5862 PWs) bands (ev): -6.4780 -6.4756 -6.4739 -6.4733 -6.2812 -6.2805 -6.2796 -6.2770 1.3374 1.3584 1.3587 1.3846 1.5171 1.5174 1.5277 1.5643 1.6829 1.7050 1.7141 1.8084 1.9520 1.9850 1.9919 2.0092 2.0366 2.0995 2.1051 2.1196 2.3639 2.3784 2.3982 2.4231 2.8370 2.9247 2.9293 3.0626 3.3839 3.4654 3.5040 3.5242 4.0805 4.1212 4.1460 4.1763 4.4782 4.5346 4.5519 4.5675 4.9665 4.9712 5.0014 5.0431 5.6676 5.7007 5.7165 5.7632 6.4859 6.4885 6.4951 6.5074 6.9246 6.9540 6.9616 6.9894 7.2544 7.2640 7.2684 7.2975 7.4763 7.5074 7.5077 7.5355 10.4516 10.4532 k = 0.1719 0.1336 0.8148 ( 5846 PWs) bands (ev): -6.4780 -6.4754 -6.4739 -6.4732 -6.2813 -6.2805 -6.2798 -6.2771 1.3408 1.3601 1.3612 1.3923 1.5129 1.5199 1.5285 1.5623 1.6799 1.7040 1.7119 1.8165 1.9388 1.9833 1.9927 2.0039 2.0319 2.0955 2.1031 2.1150 2.3724 2.3844 2.4023 2.4286 2.8376 2.9129 2.9310 3.0634 3.3820 3.4696 3.5018 3.5246 4.0884 4.1323 4.1616 4.1893 4.4557 4.5186 4.5313 4.5469 4.9765 4.9794 5.0106 5.0517 5.6670 5.6993 5.7089 5.7611 6.5012 6.5033 6.5091 6.5228 6.9220 6.9469 6.9601 6.9837 7.2464 7.2645 7.2653 7.2944 7.4704 7.4981 7.5038 7.5308 10.4665 10.4685 k = 0.1875 0.1457 0.8148 ( 5860 PWs) bands (ev): -6.4780 -6.4752 -6.4740 -6.4732 -6.2814 -6.2806 -6.2800 -6.2771 1.3443 1.3609 1.3638 1.3996 1.5085 1.5234 1.5292 1.5595 1.6771 1.7032 1.7098 1.8247 1.9259 1.9817 1.9941 1.9995 2.0268 2.0922 2.1014 2.1110 2.3803 2.3894 2.4051 2.4332 2.8395 2.9013 2.9323 3.0638 3.3803 3.4736 3.4993 3.5250 4.0957 4.1432 4.1767 4.2010 4.4352 4.5044 4.5130 4.5276 4.9847 4.9863 5.0182 5.0588 5.6673 5.6978 5.7016 5.7592 6.5152 6.5168 6.5215 6.5367 6.9197 6.9403 6.9585 6.9778 7.2388 7.2623 7.2655 7.2909 7.4660 7.4893 7.5006 7.5269 10.4798 10.4822 k = 0.2031 0.1579 0.8148 ( 5868 PWs) bands (ev): -6.4779 -6.4750 -6.4741 -6.4731 -6.2815 -6.2806 -6.2801 -6.2771 1.3478 1.3609 1.3659 1.4061 1.5043 1.5275 1.5297 1.5560 1.6748 1.7028 1.7079 1.8330 1.9139 1.9804 1.9960 1.9962 2.0216 2.0896 2.1004 2.1076 2.3874 2.3933 2.4066 2.4369 2.8429 2.8903 2.9333 3.0641 3.3790 3.4775 3.4967 3.5253 4.1021 4.1534 4.1908 4.2108 4.4176 4.4927 4.4979 4.5105 4.9910 4.9918 5.0242 5.0644 5.6685 5.6947 5.6966 5.7576 6.5272 6.5284 6.5320 6.5484 6.9177 6.9344 6.9574 6.9721 7.2322 7.2597 7.2671 7.2869 7.4632 7.4814 7.4981 7.5238 10.4910 10.4938 k = 0.2188 0.1700 0.8148 ( 5868 PWs) bands (ev): -6.4779 -6.4748 -6.4742 -6.4731 -6.2815 -6.2805 -6.2803 -6.2771 1.3511 1.3602 1.3675 1.4114 1.5008 1.5301 1.5320 1.5518 1.6731 1.7028 1.7063 1.8410 1.9032 1.9795 1.9935 1.9989 2.0164 2.0877 2.0998 2.1049 2.3937 2.3962 2.4068 2.4396 2.8478 2.8798 2.9339 3.0643 3.3781 3.4812 3.4940 3.5255 4.1070 4.1620 4.2032 4.2176 4.4038 4.4840 4.4868 4.4963 4.9956 4.9959 5.0285 5.0684 5.6707 5.6884 5.6958 5.7565 6.5365 6.5374 6.5398 6.5573 6.9162 6.9297 6.9570 6.9669 7.2270 7.2576 7.2693 7.2828 7.4623 7.4746 7.4964 7.5215 10.4994 10.5025 k = 0.2344 0.1821 0.8148 ( 5860 PWs) bands (ev): -6.4779 -6.4746 -6.4743 -6.4731 -6.2816 -6.2805 -6.2804 -6.2771 1.3541 1.3589 1.3685 1.4149 1.4985 1.5303 1.5370 1.5472 1.6720 1.7031 1.7049 1.8474 1.8951 1.9789 1.9919 2.0023 2.0115 2.0866 2.1000 2.1029 2.3979 2.3988 2.4055 2.4413 2.8540 2.8702 2.9343 3.0644 3.3776 3.4847 3.4910 3.5257 4.1102 4.1677 4.2128 4.2205 4.3949 4.4785 4.4809 4.4860 4.9983 4.9984 5.0311 5.0708 5.6739 5.6828 5.6952 5.7558 6.5425 6.5434 6.5446 6.5630 6.9152 6.9266 6.9576 6.9626 7.2237 7.2561 7.2721 7.2786 7.4633 7.4692 7.4954 7.5203 10.5046 10.5080 k = 0.2500 0.1943 0.8148 ( 5856 PWs) bands (ev): -6.4779 -6.4744 -6.4744 -6.4731 -6.2816 -6.2805 -6.2804 -6.2771 1.3567 1.3569 1.3689 1.4162 1.4976 1.5304 1.5420 1.5422 1.6716 1.7038 1.7039 1.8502 1.8917 1.9787 1.9914 2.0062 2.0071 2.0862 2.1007 2.1015 2.3985 2.4028 2.4029 2.4418 2.8615 2.8616 2.9344 3.0645 3.3774 3.4879 3.4881 3.5257 4.1114 4.1699 4.2188 4.2191 4.3917 4.4766 4.4805 4.4806 4.9992 4.9992 5.0319 5.0716 5.6779 5.6779 5.6950 5.7556 6.5448 6.5460 6.5461 6.5651 6.9147 6.9254 6.9593 6.9594 7.2224 7.2555 7.2746 7.2753 7.4652 7.4659 7.4952 7.5199 10.5064 10.5099 Writing output data file FeAgS2.save init_run : 1.31s CPU 0.75s WALL ( 1 calls) electrons : 540.39s CPU 404.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 540.38s CPU 404.61s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.47s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.65s CPU 0.70s WALL ( 281 calls) cegterg : 448.55s CPU 353.82s WALL ( 463 calls) Called by sum_band: Called by *egterg: h_psi : 351.72s CPU 228.78s WALL ( 7741 calls) s_psi : 28.48s CPU 23.16s WALL ( 7741 calls) g_psi : 0.42s CPU 0.41s WALL ( 6997 calls) cdiaghg : 109.14s CPU 106.58s WALL ( 7278 calls) cegterg:over : 13.42s CPU 13.52s WALL ( 6997 calls) cegterg:upda : 11.91s CPU 12.09s WALL ( 6997 calls) cegterg:last : 5.08s CPU 5.11s WALL ( 1025 calls) cdiaghg:chol : 6.49s CPU 6.19s WALL ( 7278 calls) cdiaghg:inve : 4.46s CPU 4.40s WALL ( 7278 calls) cdiaghg:para : 7.63s CPU 7.63s WALL ( 14556 calls) Called by h_psi: h_psi:vloc : 304.63s CPU 190.91s WALL ( 7741 calls) h_psi:vnl : 46.62s CPU 37.41s WALL ( 7741 calls) add_vuspsi : 27.39s CPU 21.61s WALL ( 7741 calls) General routines calbec : 19.21s CPU 15.78s WALL ( 7741 calls) fft : 0.03s CPU 0.01s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 292.43s CPU 180.69s WALL ( 1008188 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.23s CPU 1.35s WALL ( 562 calls) Parallel routines fft_scatter : 90.38s CPU 70.63s WALL ( 1008211 calls) PWSCF : 9m25.78s CPU 7m24.73s WALL This run was terminated on: 21: 0:33 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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