Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:10:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./K2NiO2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ni.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 k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 91 53 15 1854 814 130 Max 92 54 16 1856 825 133 Sum 3307 1911 569 66777 29465 4733 bravais-lattice index = 14 lattice parameter (alat) = 13.2306 a.u. unit-cell volume = 676.8417 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.230571 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.840625 celldm(5)= -0.840625 celldm(6)= 0.681250 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.681250 0.732051 0.000000 ) a(3) = ( -0.840625 -0.366025 0.399218 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.930605 1.252449 ) b(2) = ( 0.000000 1.366025 1.252449 ) b(3) = ( 0.000000 0.000000 2.504897 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) Ni 10.00 58.69340 Ni( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0000000 0.0000000 0.0219728), wk = 0.0028902 k( 3) = ( 0.0000000 0.0000000 0.0439456), wk = 0.0028902 k( 4) = ( 0.0000000 0.0000000 0.0659183), wk = 0.0028902 k( 5) = ( 0.0000000 0.0000000 0.0878911), wk = 0.0028902 k( 6) = ( 0.0000000 0.0000000 0.1098639), wk = 0.0028902 k( 7) = ( 0.0000000 0.0000000 0.1318367), wk = 0.0028902 k( 8) = ( 0.0000000 0.0000000 0.1538095), wk = 0.0028902 k( 9) = ( 0.0000000 0.0000000 0.1757823), wk = 0.0028902 k( 10) = ( 0.0000000 0.0000000 0.1977550), wk = 0.0028902 k( 11) = ( 0.0000000 0.0000000 0.2197278), wk = 0.0028902 k( 12) = ( 0.0000000 0.0000000 0.2417006), wk = 0.0028902 k( 13) = ( 0.0000000 0.0000000 0.2636734), wk = 0.0028902 k( 14) = ( 0.0000000 0.0000000 0.2856462), wk = 0.0028902 k( 15) = ( 0.0000000 0.0000000 0.3076190), wk = 0.0028902 k( 16) = ( 0.0000000 0.0000000 0.3295917), wk = 0.0028902 k( 17) = ( 0.0000000 0.0000000 0.3515645), wk = 0.0028902 k( 18) = ( 0.0000000 0.0000000 0.3735373), wk = 0.0028902 k( 19) = ( 0.0000000 0.0000000 0.3955101), wk = 0.0028902 k( 20) = ( 0.0000000 0.0000000 0.4174829), wk = 0.0028902 k( 21) = ( 0.0000000 0.0000000 0.4394557), wk = 0.0028902 k( 22) = ( 0.0000000 0.0000000 0.4614284), wk = 0.0028902 k( 23) = ( 0.0000000 0.0000000 0.4834012), wk = 0.0028902 k( 24) = ( 0.0000000 0.0000000 0.5053740), wk = 0.0028902 k( 25) = ( 0.0000000 0.0000000 0.5273468), wk = 0.0028902 k( 26) = ( 0.0000000 0.0000000 0.5493196), wk = 0.0028902 k( 27) = ( 0.0000000 0.0000000 0.5712924), wk = 0.0028902 k( 28) = ( 0.0000000 0.0000000 0.5932651), wk = 0.0028902 k( 29) = ( 0.0000000 0.0000000 0.6152379), wk = 0.0028902 k( 30) = ( 0.0000000 0.0000000 0.6372107), wk = 0.0028902 k( 31) = ( 0.0000000 0.0000000 0.6591835), wk = 0.0028902 k( 32) = ( 0.0000000 0.0000000 0.6811563), wk = 0.0028902 k( 33) = ( 0.0000000 0.0000000 0.7031290), wk = 0.0028902 k( 34) = ( 0.0000000 0.0000000 0.7251018), wk = 0.0028902 k( 35) = ( 0.0000000 0.0000000 0.7470746), wk = 0.0028902 k( 36) = ( 0.0000000 0.0000000 0.7690474), wk = 0.0028902 k( 37) = ( 0.0000000 0.0000000 0.7910202), wk = 0.0028902 k( 38) = ( 0.0000000 0.0000000 0.8129929), wk = 0.0028902 k( 39) = ( 0.0000000 0.0000000 0.8349657), wk = 0.0028902 k( 40) = ( 0.0000000 0.0000000 0.8569385), wk = 0.0028902 k( 41) = ( 0.0000000 0.0000000 0.8789113), wk = 0.0028902 k( 42) = ( 0.0000000 0.0000000 0.9008841), wk = 0.0028902 k( 43) = ( 0.0000000 0.0000000 0.9228569), wk = 0.0028902 k( 44) = ( 0.0000000 0.0000000 0.9448296), wk = 0.0028902 k( 45) = ( 0.0000000 0.0000000 0.9668024), wk = 0.0028902 k( 46) = ( 0.0000000 0.0000000 0.9887752), wk = 0.0028902 k( 47) = ( 0.0000000 0.0000000 1.0107480), wk = 0.0028902 k( 48) = ( 0.0000000 0.0000000 1.0327208), wk = 0.0028902 k( 49) = ( 0.0000000 0.0000000 1.0546936), wk = 0.0028902 k( 50) = ( 0.0000000 0.0000000 1.0766663), wk = 0.0028902 k( 51) = ( 0.0000000 0.0000000 1.0986391), wk = 0.0028902 k( 52) = ( 0.0000000 0.0000000 1.1206119), wk = 0.0028902 k( 53) = ( 0.0000000 0.0000000 1.1425847), wk = 0.0028902 k( 54) = ( 0.0000000 0.0000000 1.1645575), wk = 0.0028902 k( 55) = ( 0.0000000 0.0000000 1.1865303), wk = 0.0028902 k( 56) = ( 0.0000000 0.0000000 1.2085030), wk = 0.0028902 k( 57) = ( 0.0000000 0.0000000 1.2304758), wk = 0.0028902 k( 58) = ( 0.0000000 0.0000000 1.2524486), wk = 0.0028902 k( 59) = ( 0.0000000 0.0000000 1.2524486), wk = 0.0028902 k( 60) = ( -0.0078996 0.0181425 1.2524486), wk = 0.0028902 k( 61) = ( -0.0157993 0.0362851 1.2524486), wk = 0.0028902 k( 62) = ( -0.0236989 0.0544276 1.2524486), wk = 0.0028902 k( 63) = ( -0.0315985 0.0725701 1.2524486), wk = 0.0028902 k( 64) = ( -0.0394981 0.0907126 1.2524486), wk = 0.0028902 k( 65) = ( -0.0473978 0.1088551 1.2524486), wk = 0.0028902 k( 66) = ( -0.0473978 0.1088551 1.2524486), wk = 0.0028902 k( 67) = ( -0.0536839 0.1232921 1.2367025), wk = 0.0028902 k( 68) = ( -0.0599700 0.1377290 1.2209563), wk = 0.0028902 k( 69) = ( -0.0662562 0.1521660 1.2052102), wk = 0.0028902 k( 70) = ( -0.0725423 0.1666029 1.1894640), wk = 0.0028902 k( 71) = ( -0.0788285 0.1810399 1.1737179), wk = 0.0028902 k( 72) = ( -0.0851146 0.1954768 1.1579718), wk = 0.0028902 k( 73) = ( -0.0914008 0.2099137 1.1422256), wk = 0.0028902 k( 74) = ( -0.0976869 0.2243507 1.1264795), wk = 0.0028902 k( 75) = ( -0.1039730 0.2387876 1.1107333), wk = 0.0028902 k( 76) = ( -0.1102592 0.2532246 1.0949872), wk = 0.0028902 k( 77) = ( -0.1165453 0.2676615 1.0792411), wk = 0.0028902 k( 78) = ( -0.1228315 0.2820985 1.0634949), wk = 0.0028902 k( 79) = ( -0.1291176 0.2965354 1.0477488), wk = 0.0028902 k( 80) = ( -0.1354038 0.3109724 1.0320027), wk = 0.0028902 k( 81) = ( -0.1416899 0.3254093 1.0162565), wk = 0.0028902 k( 82) = ( -0.1479760 0.3398462 1.0005104), wk = 0.0028902 k( 83) = ( -0.1542622 0.3542832 0.9847642), wk = 0.0028902 k( 84) = ( -0.1605483 0.3687201 0.9690181), wk = 0.0028902 k( 85) = ( -0.1668345 0.3831571 0.9532720), wk = 0.0028902 k( 86) = ( -0.1731206 0.3975940 0.9375258), wk = 0.0028902 k( 87) = ( -0.1794068 0.4120310 0.9217797), wk = 0.0028902 k( 88) = ( -0.1856929 0.4264679 0.9060335), wk = 0.0028902 k( 89) = ( -0.1919790 0.4409049 0.8902874), wk = 0.0028902 k( 90) = ( -0.1982652 0.4553418 0.8745413), wk = 0.0028902 k( 91) = ( -0.2045513 0.4697787 0.8587951), wk = 0.0028902 k( 92) = ( -0.2108375 0.4842157 0.8430490), wk = 0.0028902 k( 93) = ( -0.2171236 0.4986526 0.8273028), wk = 0.0028902 k( 94) = ( -0.2234097 0.5130896 0.8115567), wk = 0.0028902 k( 95) = ( -0.2296959 0.5275265 0.7958106), wk = 0.0028902 k( 96) = ( -0.2359820 0.5419634 0.7800644), wk = 0.0028902 k( 97) = ( -0.2422682 0.5564004 0.7643183), wk = 0.0028902 k( 98) = ( -0.2485543 0.5708373 0.7485721), wk = 0.0028902 k( 99) = ( -0.2548405 0.5852743 0.7328260), wk = 0.0028902 k( 100) = ( -0.2611266 0.5997112 0.7170799), wk = 0.0028902 k( 101) = ( -0.2674127 0.6141482 0.7013337), wk = 0.0028902 k( 102) = ( -0.2736989 0.6285851 0.6855876), wk = 0.0028902 k( 103) = ( -0.2736989 0.6285851 0.6855876), wk = 0.0028902 k( 104) = ( -0.2674784 0.6142991 0.6700060), wk = 0.0028902 k( 105) = ( -0.2612580 0.6000131 0.6544245), wk = 0.0028902 k( 106) = ( -0.2550376 0.5857270 0.6388430), wk = 0.0028902 k( 107) = ( -0.2488172 0.5714410 0.6232614), wk = 0.0028902 k( 108) = ( -0.2425967 0.5571550 0.6076799), wk = 0.0028902 k( 109) = ( -0.2363763 0.5428690 0.5920984), wk = 0.0028902 k( 110) = ( -0.2301559 0.5285829 0.5765168), wk = 0.0028902 k( 111) = ( -0.2239355 0.5142969 0.5609353), wk = 0.0028902 k( 112) = ( -0.2177150 0.5000109 0.5453537), wk = 0.0028902 k( 113) = ( -0.2114946 0.4857249 0.5297722), wk = 0.0028902 k( 114) = ( -0.2052742 0.4714388 0.5141907), wk = 0.0028902 k( 115) = ( -0.1990537 0.4571528 0.4986091), wk = 0.0028902 k( 116) = ( -0.1928333 0.4428668 0.4830276), wk = 0.0028902 k( 117) = ( -0.1866129 0.4285808 0.4674461), wk = 0.0028902 k( 118) = ( -0.1803925 0.4142947 0.4518645), wk = 0.0028902 k( 119) = ( -0.1741720 0.4000087 0.4362830), wk = 0.0028902 k( 120) = ( -0.1679516 0.3857227 0.4207015), wk = 0.0028902 k( 121) = ( -0.1617312 0.3714367 0.4051199), wk = 0.0028902 k( 122) = ( -0.1555107 0.3571506 0.3895384), wk = 0.0028902 k( 123) = ( -0.1492903 0.3428646 0.3739569), wk = 0.0028902 k( 124) = ( -0.1430699 0.3285786 0.3583753), wk = 0.0028902 k( 125) = ( -0.1368494 0.3142926 0.3427938), wk = 0.0028902 k( 126) = ( -0.1306290 0.3000065 0.3272122), wk = 0.0028902 k( 127) = ( -0.1244086 0.2857205 0.3116307), wk = 0.0028902 k( 128) = ( -0.1181882 0.2714345 0.2960492), wk = 0.0028902 k( 129) = ( -0.1119677 0.2571485 0.2804677), wk = 0.0028902 k( 130) = ( -0.1057473 0.2428624 0.2648861), wk = 0.0028902 k( 131) = ( -0.0995269 0.2285764 0.2493046), wk = 0.0028902 k( 132) = ( -0.0933064 0.2142904 0.2337230), wk = 0.0028902 k( 133) = ( -0.0870860 0.2000044 0.2181415), wk = 0.0028902 k( 134) = ( -0.0808656 0.1857183 0.2025600), wk = 0.0028902 k( 135) = ( -0.0746451 0.1714323 0.1869784), wk = 0.0028902 k( 136) = ( -0.0684247 0.1571463 0.1713969), wk = 0.0028902 k( 137) = ( -0.0622043 0.1428602 0.1558154), wk = 0.0028902 k( 138) = ( -0.0559839 0.1285742 0.1402338), wk = 0.0028902 k( 139) = ( -0.0497634 0.1142882 0.1246523), wk = 0.0028902 k( 140) = ( -0.0435430 0.1000022 0.1090707), wk = 0.0028902 k( 141) = ( -0.0373226 0.0857162 0.0934892), wk = 0.0028902 k( 142) = ( -0.0311021 0.0714301 0.0779077), wk = 0.0028902 k( 143) = ( -0.0248817 0.0571441 0.0623262), wk = 0.0028902 k( 144) = ( -0.0186613 0.0428581 0.0467446), wk = 0.0028902 k( 145) = ( -0.0124409 0.0285721 0.0311631), wk = 0.0028902 k( 146) = ( -0.0062204 0.0142860 0.0155815), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 149) = ( 0.0200000 0.0087084 -0.0000000), wk = 0.0028902 k( 150) = ( 0.0400000 0.0174168 -0.0000000), wk = 0.0028902 k( 151) = ( 0.0600000 0.0261252 -0.0000000), wk = 0.0028902 k( 152) = ( 0.0800000 0.0348336 -0.0000000), wk = 0.0028902 k( 153) = ( 0.1000000 0.0435421 -0.0000000), wk = 0.0028902 k( 154) = ( 0.1200000 0.0522505 -0.0000000), wk = 0.0028902 k( 155) = ( 0.1400000 0.0609589 -0.0000000), wk = 0.0028902 k( 156) = ( 0.1600000 0.0696673 -0.0000000), wk = 0.0028902 k( 157) = ( 0.1800000 0.0783757 -0.0000000), wk = 0.0028902 k( 158) = ( 0.2000000 0.0870841 -0.0000000), wk = 0.0028902 k( 159) = ( 0.2200000 0.0957925 -0.0000000), wk = 0.0028902 k( 160) = ( 0.2400000 0.1045009 -0.0000000), wk = 0.0028902 k( 161) = ( 0.2600000 0.1132093 -0.0000000), wk = 0.0028902 k( 162) = ( 0.2800000 0.1219178 -0.0000000), wk = 0.0028902 k( 163) = ( 0.3000000 0.1306262 -0.0000000), wk = 0.0028902 k( 164) = ( 0.3200000 0.1393346 -0.0000000), wk = 0.0028902 k( 165) = ( 0.3400000 0.1480430 -0.0000000), wk = 0.0028902 k( 166) = ( 0.3600000 0.1567514 -0.0000000), wk = 0.0028902 k( 167) = ( 0.3800000 0.1654598 -0.0000000), wk = 0.0028902 k( 168) = ( 0.4000000 0.1741682 -0.0000000), wk = 0.0028902 k( 169) = ( 0.4200000 0.1828766 -0.0000000), wk = 0.0028902 k( 170) = ( 0.4400000 0.1915850 -0.0000000), wk = 0.0028902 k( 171) = ( 0.4600000 0.2002935 -0.0000000), wk = 0.0028902 k( 172) = ( 0.4800000 0.2090019 -0.0000000), wk = 0.0028902 k( 173) = ( 0.5000000 0.2177103 -0.0000000), wk = 0.0028902 k( 174) = ( 0.5000000 0.2177103 -0.0000000), wk = 0.0028902 k( 175) = ( 0.4937139 0.2321472 0.0157461), wk = 0.0028902 k( 176) = ( 0.4874277 0.2465842 0.0314923), wk = 0.0028902 k( 177) = ( 0.4811416 0.2610211 0.0472384), wk = 0.0028902 k( 178) = ( 0.4748554 0.2754581 0.0629846), wk = 0.0028902 k( 179) = ( 0.4685693 0.2898950 0.0787307), wk = 0.0028902 k( 180) = ( 0.4622831 0.3043319 0.0944768), wk = 0.0028902 k( 181) = ( 0.4559970 0.3187689 0.1102230), wk = 0.0028902 k( 182) = ( 0.4497109 0.3332058 0.1259691), wk = 0.0028902 k( 183) = ( 0.4434247 0.3476428 0.1417153), wk = 0.0028902 k( 184) = ( 0.4371386 0.3620797 0.1574614), wk = 0.0028902 k( 185) = ( 0.4308524 0.3765167 0.1732075), wk = 0.0028902 k( 186) = ( 0.4245663 0.3909536 0.1889537), wk = 0.0028902 k( 187) = ( 0.4182802 0.4053906 0.2046998), wk = 0.0028902 k( 188) = ( 0.4119940 0.4198275 0.2204460), wk = 0.0028902 k( 189) = ( 0.4057079 0.4342644 0.2361921), wk = 0.0028902 k( 190) = ( 0.3994217 0.4487014 0.2519382), wk = 0.0028902 k( 191) = ( 0.3931356 0.4631383 0.2676844), wk = 0.0028902 k( 192) = ( 0.3868494 0.4775753 0.2834305), wk = 0.0028902 k( 193) = ( 0.3805633 0.4920122 0.2991767), wk = 0.0028902 k( 194) = ( 0.3742772 0.5064491 0.3149228), wk = 0.0028902 k( 195) = ( 0.3679910 0.5208861 0.3306689), wk = 0.0028902 k( 196) = ( 0.3617049 0.5353230 0.3464151), wk = 0.0028902 k( 197) = ( 0.3554187 0.5497600 0.3621612), wk = 0.0028902 k( 198) = ( 0.3491326 0.5641969 0.3779074), wk = 0.0028902 k( 199) = ( 0.3428465 0.5786339 0.3936535), wk = 0.0028902 k( 200) = ( 0.3365603 0.5930708 0.4093997), wk = 0.0028902 k( 201) = ( 0.3302742 0.6075078 0.4251458), wk = 0.0028902 k( 202) = ( 0.3239880 0.6219447 0.4408919), wk = 0.0028902 k( 203) = ( 0.3177019 0.6363816 0.4566381), wk = 0.0028902 k( 204) = ( 0.3114157 0.6508186 0.4723842), wk = 0.0028902 k( 205) = ( 0.3051296 0.6652555 0.4881303), wk = 0.0028902 k( 206) = ( 0.2988435 0.6796925 0.5038765), wk = 0.0028902 k( 207) = ( 0.2925573 0.6941294 0.5196226), wk = 0.0028902 k( 208) = ( 0.2862712 0.7085664 0.5353688), wk = 0.0028902 k( 209) = ( 0.2799850 0.7230033 0.5511149), wk = 0.0028902 k( 210) = ( 0.2736989 0.7374403 0.5668610), wk = 0.0028902 k( 211) = ( 0.2736989 0.7374403 0.5668610), wk = 0.0028902 k( 212) = ( 0.2526451 0.7332535 0.5714274), wk = 0.0028902 k( 213) = ( 0.2315914 0.7290668 0.5759939), wk = 0.0028902 k( 214) = ( 0.2105376 0.7248800 0.5805603), wk = 0.0028902 k( 215) = ( 0.1894838 0.7206933 0.5851267), wk = 0.0028902 k( 216) = ( 0.1684301 0.7165066 0.5896931), wk = 0.0028902 k( 217) = ( 0.1473763 0.7123198 0.5942595), wk = 0.0028902 k( 218) = ( 0.1263226 0.7081331 0.5988259), wk = 0.0028902 k( 219) = ( 0.1052688 0.7039464 0.6033923), wk = 0.0028902 k( 220) = ( 0.0842150 0.6997596 0.6079587), wk = 0.0028902 k( 221) = ( 0.0631613 0.6955729 0.6125251), wk = 0.0028902 k( 222) = ( 0.0421075 0.6913862 0.6170915), wk = 0.0028902 k( 223) = ( 0.0210538 0.6871994 0.6216579), wk = 0.0028902 k( 224) = ( 0.0000000 0.6830127 0.6262243), wk = 0.0028902 k( 225) = ( 0.0000000 0.6830127 0.6262243), wk = 0.0028902 k( 226) = ( 0.0062500 0.6686587 0.6418799), wk = 0.0028902 k( 227) = ( 0.0125000 0.6543048 0.6575355), wk = 0.0028902 k( 228) = ( 0.0187500 0.6399509 0.6731911), wk = 0.0028902 k( 229) = ( 0.0250000 0.6255969 0.6888467), wk = 0.0028902 k( 230) = ( 0.0312500 0.6112430 0.7045023), wk = 0.0028902 k( 231) = ( 0.0375000 0.5968891 0.7201580), wk = 0.0028902 k( 232) = ( 0.0437500 0.5825351 0.7358136), wk = 0.0028902 k( 233) = ( 0.0500000 0.5681812 0.7514692), wk = 0.0028902 k( 234) = ( 0.0562500 0.5538272 0.7671248), wk = 0.0028902 k( 235) = ( 0.0625000 0.5394733 0.7827804), wk = 0.0028902 k( 236) = ( 0.0687500 0.5251194 0.7984360), wk = 0.0028902 k( 237) = ( 0.0750000 0.5107654 0.8140916), wk = 0.0028902 k( 238) = ( 0.0812500 0.4964115 0.8297472), wk = 0.0028902 k( 239) = ( 0.0875000 0.4820575 0.8454028), wk = 0.0028902 k( 240) = ( 0.0937500 0.4677036 0.8610584), wk = 0.0028902 k( 241) = ( 0.1000000 0.4533497 0.8767140), wk = 0.0028902 k( 242) = ( 0.1062500 0.4389957 0.8923696), wk = 0.0028902 k( 243) = ( 0.1125000 0.4246418 0.9080252), wk = 0.0028902 k( 244) = ( 0.1187500 0.4102878 0.9236809), wk = 0.0028902 k( 245) = ( 0.1250000 0.3959339 0.9393365), wk = 0.0028902 k( 246) = ( 0.1312500 0.3815800 0.9549921), wk = 0.0028902 k( 247) = ( 0.1375000 0.3672260 0.9706477), wk = 0.0028902 k( 248) = ( 0.1437500 0.3528721 0.9863033), wk = 0.0028902 k( 249) = ( 0.1500000 0.3385182 1.0019589), wk = 0.0028902 k( 250) = ( 0.1562500 0.3241642 1.0176145), wk = 0.0028902 k( 251) = ( 0.1625000 0.3098103 1.0332701), wk = 0.0028902 k( 252) = ( 0.1687500 0.2954563 1.0489257), wk = 0.0028902 k( 253) = ( 0.1750000 0.2811024 1.0645813), wk = 0.0028902 k( 254) = ( 0.1812500 0.2667485 1.0802369), wk = 0.0028902 k( 255) = ( 0.1875000 0.2523945 1.0958925), wk = 0.0028902 k( 256) = ( 0.1937500 0.2380406 1.1115481), wk = 0.0028902 k( 257) = ( 0.2000000 0.2236866 1.1272038), wk = 0.0028902 k( 258) = ( 0.2062500 0.2093327 1.1428594), wk = 0.0028902 k( 259) = ( 0.2125000 0.1949788 1.1585150), wk = 0.0028902 k( 260) = ( 0.2187500 0.1806248 1.1741706), wk = 0.0028902 k( 261) = ( 0.2250000 0.1662709 1.1898262), wk = 0.0028902 k( 262) = ( 0.2312500 0.1519170 1.2054818), wk = 0.0028902 k( 263) = ( 0.2375000 0.1375630 1.2211374), wk = 0.0028902 k( 264) = ( 0.2437500 0.1232091 1.2367930), wk = 0.0028902 k( 265) = ( 0.2500000 0.1088551 1.2524486), wk = 0.0028902 k( 266) = ( 0.2500000 0.1088551 1.2524486), wk = 0.0028902 k( 267) = ( 0.2678571 0.1166305 1.2439681), wk = 0.0028902 k( 268) = ( 0.2857143 0.1244059 1.2354877), wk = 0.0028902 k( 269) = ( 0.3035714 0.1321812 1.2270072), wk = 0.0028902 k( 270) = ( 0.3214286 0.1399566 1.2185267), wk = 0.0028902 k( 271) = ( 0.3392857 0.1477320 1.2100463), wk = 0.0028902 k( 272) = ( 0.3571429 0.1555073 1.2015658), wk = 0.0028902 k( 273) = ( 0.3750000 0.1632827 1.1930854), wk = 0.0028902 k( 274) = ( 0.3928571 0.1710581 1.1846049), wk = 0.0028902 k( 275) = ( 0.4107143 0.1788334 1.1761244), wk = 0.0028902 k( 276) = ( 0.4285714 0.1866088 1.1676439), wk = 0.0028902 k( 277) = ( 0.4464286 0.1943842 1.1591635), wk = 0.0028902 k( 278) = ( 0.4642857 0.2021595 1.1506830), wk = 0.0028902 k( 279) = ( 0.4821429 0.2099349 1.1422025), wk = 0.0028902 k( 280) = ( 0.5000000 0.2177103 1.1337221), wk = 0.0028902 k( 281) = ( 0.5000000 0.2177103 1.1337221), wk = 0.0028902 k( 282) = ( 0.5000000 0.2177103 1.1114922), wk = 0.0028902 k( 283) = ( 0.5000000 0.2177103 1.0892624), wk = 0.0028902 k( 284) = ( 0.5000000 0.2177103 1.0670325), wk = 0.0028902 k( 285) = ( 0.5000000 0.2177103 1.0448027), wk = 0.0028902 k( 286) = ( 0.5000000 0.2177103 1.0225729), wk = 0.0028902 k( 287) = ( 0.5000000 0.2177103 1.0003430), wk = 0.0028902 k( 288) = ( 0.5000000 0.2177103 0.9781132), wk = 0.0028902 k( 289) = ( 0.5000000 0.2177103 0.9558833), wk = 0.0028902 k( 290) = ( 0.5000000 0.2177103 0.9336535), wk = 0.0028902 k( 291) = ( 0.5000000 0.2177103 0.9114236), wk = 0.0028902 k( 292) = ( 0.5000000 0.2177103 0.8891938), wk = 0.0028902 k( 293) = ( 0.5000000 0.2177103 0.8669639), wk = 0.0028902 k( 294) = ( 0.5000000 0.2177103 0.8447341), wk = 0.0028902 k( 295) = ( 0.5000000 0.2177103 0.8225042), wk = 0.0028902 k( 296) = ( 0.5000000 0.2177103 0.8002744), wk = 0.0028902 k( 297) = ( 0.5000000 0.2177103 0.7780446), wk = 0.0028902 k( 298) = ( 0.5000000 0.2177103 0.7558147), wk = 0.0028902 k( 299) = ( 0.5000000 0.2177103 0.7335849), wk = 0.0028902 k( 300) = ( 0.5000000 0.2177103 0.7113550), wk = 0.0028902 k( 301) = ( 0.5000000 0.2177103 0.6891252), wk = 0.0028902 k( 302) = ( 0.5000000 0.2177103 0.6668953), wk = 0.0028902 k( 303) = ( 0.5000000 0.2177103 0.6446655), wk = 0.0028902 k( 304) = ( 0.5000000 0.2177103 0.6224356), wk = 0.0028902 k( 305) = ( 0.5000000 0.2177103 0.6002058), wk = 0.0028902 k( 306) = ( 0.5000000 0.2177103 0.5779760), wk = 0.0028902 k( 307) = ( 0.5000000 0.2177103 0.5557461), wk = 0.0028902 k( 308) = ( 0.5000000 0.2177103 0.5335163), wk = 0.0028902 k( 309) = ( 0.5000000 0.2177103 0.5112864), wk = 0.0028902 k( 310) = ( 0.5000000 0.2177103 0.4890566), wk = 0.0028902 k( 311) = ( 0.5000000 0.2177103 0.4668267), wk = 0.0028902 k( 312) = ( 0.5000000 0.2177103 0.4445969), wk = 0.0028902 k( 313) = ( 0.5000000 0.2177103 0.4223671), wk = 0.0028902 k( 314) = ( 0.5000000 0.2177103 0.4001372), wk = 0.0028902 k( 315) = ( 0.5000000 0.2177103 0.3779074), wk = 0.0028902 k( 316) = ( 0.5000000 0.2177103 0.3556775), wk = 0.0028902 k( 317) = ( 0.5000000 0.2177103 0.3334477), wk = 0.0028902 k( 318) = ( 0.5000000 0.2177103 0.3112178), wk = 0.0028902 k( 319) = ( 0.5000000 0.2177103 0.2889880), wk = 0.0028902 k( 320) = ( 0.5000000 0.2177103 0.2667581), wk = 0.0028902 k( 321) = ( 0.5000000 0.2177103 0.2445283), wk = 0.0028902 k( 322) = ( 0.5000000 0.2177103 0.2222985), wk = 0.0028902 k( 323) = ( 0.5000000 0.2177103 0.2000686), wk = 0.0028902 k( 324) = ( 0.5000000 0.2177103 0.1778388), wk = 0.0028902 k( 325) = ( 0.5000000 0.2177103 0.1556089), wk = 0.0028902 k( 326) = ( 0.5000000 0.2177103 0.1333791), wk = 0.0028902 k( 327) = ( 0.5000000 0.2177103 0.1111492), wk = 0.0028902 k( 328) = ( 0.5000000 0.2177103 0.0889194), wk = 0.0028902 k( 329) = ( 0.5000000 0.2177103 0.0666895), wk = 0.0028902 k( 330) = ( 0.5000000 0.2177103 0.0444597), wk = 0.0028902 k( 331) = ( 0.5000000 0.2177103 0.0222298), wk = 0.0028902 k( 332) = ( 0.5000000 0.2177103 -0.0000000), wk = 0.0028902 k( 333) = ( 0.0000000 0.0000000 1.2524486), wk = 0.0028902 k( 334) = ( 0.0192308 0.0083735 1.2524486), wk = 0.0028902 k( 335) = ( 0.0384615 0.0167469 1.2524486), wk = 0.0028902 k( 336) = ( 0.0576923 0.0251204 1.2524486), wk = 0.0028902 k( 337) = ( 0.0769231 0.0334939 1.2524486), wk = 0.0028902 k( 338) = ( 0.0961538 0.0418674 1.2524486), wk = 0.0028902 k( 339) = ( 0.1153846 0.0502408 1.2524486), wk = 0.0028902 k( 340) = ( 0.1346154 0.0586143 1.2524486), wk = 0.0028902 k( 341) = ( 0.1538461 0.0669878 1.2524486), wk = 0.0028902 k( 342) = ( 0.1730769 0.0753613 1.2524486), wk = 0.0028902 k( 343) = ( 0.1923077 0.0837347 1.2524486), wk = 0.0028902 k( 344) = ( 0.2115385 0.0921082 1.2524486), wk = 0.0028902 k( 345) = ( 0.2307692 0.1004817 1.2524486), wk = 0.0028902 k( 346) = ( 0.2500000 0.1088551 1.2524486), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0028902 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0028902 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028902 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0028902 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0028902 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028902 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0028902 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0028902 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028902 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0028902 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0028902 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028902 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0028902 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0028902 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028902 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0028902 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0028902 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028902 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028902 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0028902 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028902 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0028902 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0028902 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028902 k( 26) = ( 0.0000000 0.0000000 0.2192982), wk = 0.0028902 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0028902 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028902 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0028902 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0028902 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028902 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0028902 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0028902 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028902 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0028902 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0028902 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028902 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0028902 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028902 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028902 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0028902 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0028902 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028902 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0028902 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0028902 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028902 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0028902 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0028902 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028902 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0028902 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0028902 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028902 k( 53) = ( 0.0000000 0.0000000 0.4561404), wk = 0.0028902 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0028902 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028902 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0028902 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0028902 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 60) = ( -0.0078996 0.0078996 0.5000000), wk = 0.0028902 k( 61) = ( -0.0157993 0.0157993 0.5000000), wk = 0.0028902 k( 62) = ( -0.0236989 0.0236989 0.5000000), wk = 0.0028902 k( 63) = ( -0.0315985 0.0315985 0.5000000), wk = 0.0028902 k( 64) = ( -0.0394981 0.0394981 0.5000000), wk = 0.0028902 k( 65) = ( -0.0473978 0.0473978 0.5000000), wk = 0.0028902 k( 66) = ( -0.0473978 0.0473978 0.5000000), wk = 0.0028902 k( 67) = ( -0.0536839 0.0536839 0.4937139), wk = 0.0028902 k( 68) = ( -0.0599700 0.0599700 0.4874277), wk = 0.0028902 k( 69) = ( -0.0662562 0.0662562 0.4811416), wk = 0.0028902 k( 70) = ( -0.0725423 0.0725423 0.4748554), wk = 0.0028902 k( 71) = ( -0.0788285 0.0788285 0.4685693), wk = 0.0028902 k( 72) = ( -0.0851146 0.0851146 0.4622831), wk = 0.0028902 k( 73) = ( -0.0914008 0.0914008 0.4559970), wk = 0.0028902 k( 74) = ( -0.0976869 0.0976869 0.4497109), wk = 0.0028902 k( 75) = ( -0.1039730 0.1039730 0.4434247), wk = 0.0028902 k( 76) = ( -0.1102592 0.1102592 0.4371386), wk = 0.0028902 k( 77) = ( -0.1165453 0.1165453 0.4308524), wk = 0.0028902 k( 78) = ( -0.1228315 0.1228315 0.4245663), wk = 0.0028902 k( 79) = ( -0.1291176 0.1291176 0.4182802), wk = 0.0028902 k( 80) = ( -0.1354038 0.1354038 0.4119940), wk = 0.0028902 k( 81) = ( -0.1416899 0.1416899 0.4057079), wk = 0.0028902 k( 82) = ( -0.1479760 0.1479760 0.3994217), wk = 0.0028902 k( 83) = ( -0.1542622 0.1542622 0.3931356), wk = 0.0028902 k( 84) = ( -0.1605483 0.1605483 0.3868494), wk = 0.0028902 k( 85) = ( -0.1668345 0.1668345 0.3805633), wk = 0.0028902 k( 86) = ( -0.1731206 0.1731206 0.3742772), wk = 0.0028902 k( 87) = ( -0.1794068 0.1794068 0.3679910), wk = 0.0028902 k( 88) = ( -0.1856929 0.1856929 0.3617049), wk = 0.0028902 k( 89) = ( -0.1919790 0.1919790 0.3554187), wk = 0.0028902 k( 90) = ( -0.1982652 0.1982652 0.3491326), wk = 0.0028902 k( 91) = ( -0.2045513 0.2045513 0.3428465), wk = 0.0028902 k( 92) = ( -0.2108375 0.2108375 0.3365603), wk = 0.0028902 k( 93) = ( -0.2171236 0.2171236 0.3302742), wk = 0.0028902 k( 94) = ( -0.2234097 0.2234097 0.3239880), wk = 0.0028902 k( 95) = ( -0.2296959 0.2296959 0.3177019), wk = 0.0028902 k( 96) = ( -0.2359820 0.2359820 0.3114157), wk = 0.0028902 k( 97) = ( -0.2422682 0.2422682 0.3051296), wk = 0.0028902 k( 98) = ( -0.2485543 0.2485543 0.2988434), wk = 0.0028902 k( 99) = ( -0.2548405 0.2548405 0.2925573), wk = 0.0028902 k( 100) = ( -0.2611266 0.2611266 0.2862712), wk = 0.0028902 k( 101) = ( -0.2674127 0.2674127 0.2799850), wk = 0.0028902 k( 102) = ( -0.2736989 0.2736989 0.2736989), wk = 0.0028902 k( 103) = ( -0.2736989 0.2736989 0.2736989), wk = 0.0028902 k( 104) = ( -0.2674784 0.2674784 0.2674784), wk = 0.0028902 k( 105) = ( -0.2612580 0.2612580 0.2612580), wk = 0.0028902 k( 106) = ( -0.2550376 0.2550376 0.2550376), wk = 0.0028902 k( 107) = ( -0.2488172 0.2488172 0.2488172), wk = 0.0028902 k( 108) = ( -0.2425967 0.2425967 0.2425967), wk = 0.0028902 k( 109) = ( -0.2363763 0.2363763 0.2363763), wk = 0.0028902 k( 110) = ( -0.2301559 0.2301559 0.2301559), wk = 0.0028902 k( 111) = ( -0.2239355 0.2239355 0.2239354), wk = 0.0028902 k( 112) = ( -0.2177150 0.2177150 0.2177150), wk = 0.0028902 k( 113) = ( -0.2114946 0.2114946 0.2114946), wk = 0.0028902 k( 114) = ( -0.2052742 0.2052742 0.2052742), wk = 0.0028902 k( 115) = ( -0.1990537 0.1990537 0.1990537), wk = 0.0028902 k( 116) = ( -0.1928333 0.1928333 0.1928333), wk = 0.0028902 k( 117) = ( -0.1866129 0.1866129 0.1866129), wk = 0.0028902 k( 118) = ( -0.1803925 0.1803925 0.1803924), wk = 0.0028902 k( 119) = ( -0.1741720 0.1741720 0.1741720), wk = 0.0028902 k( 120) = ( -0.1679516 0.1679516 0.1679516), wk = 0.0028902 k( 121) = ( -0.1617312 0.1617312 0.1617312), wk = 0.0028902 k( 122) = ( -0.1555107 0.1555107 0.1555107), wk = 0.0028902 k( 123) = ( -0.1492903 0.1492903 0.1492903), wk = 0.0028902 k( 124) = ( -0.1430699 0.1430699 0.1430699), wk = 0.0028902 k( 125) = ( -0.1368494 0.1368494 0.1368494), wk = 0.0028902 k( 126) = ( -0.1306290 0.1306290 0.1306290), wk = 0.0028902 k( 127) = ( -0.1244086 0.1244086 0.1244086), wk = 0.0028902 k( 128) = ( -0.1181882 0.1181881 0.1181882), wk = 0.0028902 k( 129) = ( -0.1119677 0.1119677 0.1119677), wk = 0.0028902 k( 130) = ( -0.1057473 0.1057473 0.1057473), wk = 0.0028902 k( 131) = ( -0.0995269 0.0995269 0.0995269), wk = 0.0028902 k( 132) = ( -0.0933064 0.0933064 0.0933064), wk = 0.0028902 k( 133) = ( -0.0870860 0.0870860 0.0870860), wk = 0.0028902 k( 134) = ( -0.0808656 0.0808656 0.0808656), wk = 0.0028902 k( 135) = ( -0.0746451 0.0746451 0.0746451), wk = 0.0028902 k( 136) = ( -0.0684247 0.0684247 0.0684247), wk = 0.0028902 k( 137) = ( -0.0622043 0.0622043 0.0622043), wk = 0.0028902 k( 138) = ( -0.0559839 0.0559839 0.0559839), wk = 0.0028902 k( 139) = ( -0.0497634 0.0497634 0.0497634), wk = 0.0028902 k( 140) = ( -0.0435430 0.0435430 0.0435430), wk = 0.0028902 k( 141) = ( -0.0373226 0.0373226 0.0373226), wk = 0.0028902 k( 142) = ( -0.0311021 0.0311022 0.0311021), wk = 0.0028902 k( 143) = ( -0.0248817 0.0248817 0.0248817), wk = 0.0028902 k( 144) = ( -0.0186613 0.0186613 0.0186613), wk = 0.0028902 k( 145) = ( -0.0124409 0.0124409 0.0124409), wk = 0.0028902 k( 146) = ( -0.0062204 0.0062204 0.0062204), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 149) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0028902 k( 150) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0028902 k( 151) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0028902 k( 152) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0028902 k( 153) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0028902 k( 154) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0028902 k( 155) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0028902 k( 156) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0028902 k( 157) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0028902 k( 158) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0028902 k( 159) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0028902 k( 160) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0028902 k( 161) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0028902 k( 162) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0028902 k( 163) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0028902 k( 164) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0028902 k( 165) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0028902 k( 166) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0028902 k( 167) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0028902 k( 168) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0028902 k( 169) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0028902 k( 170) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0028902 k( 171) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0028902 k( 172) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0028902 k( 173) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028902 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028902 k( 175) = ( 0.4937139 0.5062861 -0.4937139), wk = 0.0028902 k( 176) = ( 0.4874277 0.5125723 -0.4874277), wk = 0.0028902 k( 177) = ( 0.4811416 0.5188584 -0.4811416), wk = 0.0028902 k( 178) = ( 0.4748554 0.5251446 -0.4748554), wk = 0.0028902 k( 179) = ( 0.4685693 0.5314307 -0.4685693), wk = 0.0028902 k( 180) = ( 0.4622831 0.5377169 -0.4622831), wk = 0.0028902 k( 181) = ( 0.4559970 0.5440030 -0.4559970), wk = 0.0028902 k( 182) = ( 0.4497109 0.5502891 -0.4497109), wk = 0.0028902 k( 183) = ( 0.4434247 0.5565753 -0.4434247), wk = 0.0028902 k( 184) = ( 0.4371386 0.5628614 -0.4371386), wk = 0.0028902 k( 185) = ( 0.4308524 0.5691476 -0.4308524), wk = 0.0028902 k( 186) = ( 0.4245663 0.5754337 -0.4245663), wk = 0.0028902 k( 187) = ( 0.4182802 0.5817198 -0.4182802), wk = 0.0028902 k( 188) = ( 0.4119940 0.5880060 -0.4119940), wk = 0.0028902 k( 189) = ( 0.4057079 0.5942921 -0.4057079), wk = 0.0028902 k( 190) = ( 0.3994217 0.6005783 -0.3994217), wk = 0.0028902 k( 191) = ( 0.3931356 0.6068644 -0.3931356), wk = 0.0028902 k( 192) = ( 0.3868494 0.6131506 -0.3868494), wk = 0.0028902 k( 193) = ( 0.3805633 0.6194367 -0.3805633), wk = 0.0028902 k( 194) = ( 0.3742772 0.6257228 -0.3742772), wk = 0.0028902 k( 195) = ( 0.3679910 0.6320090 -0.3679910), wk = 0.0028902 k( 196) = ( 0.3617049 0.6382951 -0.3617049), wk = 0.0028902 k( 197) = ( 0.3554187 0.6445813 -0.3554187), wk = 0.0028902 k( 198) = ( 0.3491326 0.6508674 -0.3491326), wk = 0.0028902 k( 199) = ( 0.3428465 0.6571535 -0.3428464), wk = 0.0028902 k( 200) = ( 0.3365603 0.6634397 -0.3365603), wk = 0.0028902 k( 201) = ( 0.3302742 0.6697258 -0.3302742), wk = 0.0028902 k( 202) = ( 0.3239880 0.6760120 -0.3239880), wk = 0.0028902 k( 203) = ( 0.3177019 0.6822981 -0.3177019), wk = 0.0028902 k( 204) = ( 0.3114157 0.6885843 -0.3114157), wk = 0.0028902 k( 205) = ( 0.3051296 0.6948704 -0.3051296), wk = 0.0028902 k( 206) = ( 0.2988435 0.7011565 -0.2988435), wk = 0.0028902 k( 207) = ( 0.2925573 0.7074427 -0.2925573), wk = 0.0028902 k( 208) = ( 0.2862712 0.7137288 -0.2862712), wk = 0.0028902 k( 209) = ( 0.2799850 0.7200150 -0.2799850), wk = 0.0028902 k( 210) = ( 0.2736989 0.7263011 -0.2736989), wk = 0.0028902 k( 211) = ( 0.2736989 0.7263011 -0.2736989), wk = 0.0028902 k( 212) = ( 0.2526451 0.7088933 -0.2526451), wk = 0.0028902 k( 213) = ( 0.2315914 0.6914856 -0.2315914), wk = 0.0028902 k( 214) = ( 0.2105376 0.6740778 -0.2105376), wk = 0.0028902 k( 215) = ( 0.1894838 0.6566700 -0.1894838), wk = 0.0028902 k( 216) = ( 0.1684301 0.6392622 -0.1684301), wk = 0.0028902 k( 217) = ( 0.1473763 0.6218544 -0.1473763), wk = 0.0028902 k( 218) = ( 0.1263226 0.6044467 -0.1263226), wk = 0.0028902 k( 219) = ( 0.1052688 0.5870389 -0.1052688), wk = 0.0028902 k( 220) = ( 0.0842150 0.5696311 -0.0842150), wk = 0.0028902 k( 221) = ( 0.0631613 0.5522233 -0.0631613), wk = 0.0028902 k( 222) = ( 0.0421075 0.5348156 -0.0421075), wk = 0.0028902 k( 223) = ( 0.0210538 0.5174078 -0.0210538), wk = 0.0028902 k( 224) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 225) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 226) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0028902 k( 227) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0028902 k( 228) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0028902 k( 229) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0028902 k( 230) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0028902 k( 231) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0028902 k( 232) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0028902 k( 233) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0028902 k( 234) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0028902 k( 235) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0028902 k( 236) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0028902 k( 237) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0028902 k( 238) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0028902 k( 239) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0028902 k( 240) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0028902 k( 241) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0028902 k( 242) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0028902 k( 243) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0028902 k( 244) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0028902 k( 245) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028902 k( 246) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0028902 k( 247) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0028902 k( 248) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0028902 k( 249) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0028902 k( 250) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0028902 k( 251) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0028902 k( 252) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0028902 k( 253) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0028902 k( 254) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0028902 k( 255) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0028902 k( 256) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0028902 k( 257) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0028902 k( 258) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0028902 k( 259) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0028902 k( 260) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0028902 k( 261) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0028902 k( 262) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0028902 k( 263) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0028902 k( 264) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0028902 k( 265) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028902 k( 266) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028902 k( 267) = ( 0.2678571 0.2678571 0.2287573), wk = 0.0028902 k( 268) = ( 0.2857143 0.2857143 0.2075146), wk = 0.0028902 k( 269) = ( 0.3035714 0.3035714 0.1862719), wk = 0.0028902 k( 270) = ( 0.3214286 0.3214286 0.1650292), wk = 0.0028902 k( 271) = ( 0.3392857 0.3392857 0.1437865), wk = 0.0028902 k( 272) = ( 0.3571429 0.3571429 0.1225438), wk = 0.0028902 k( 273) = ( 0.3750000 0.3750000 0.1013011), wk = 0.0028902 k( 274) = ( 0.3928571 0.3928571 0.0800584), wk = 0.0028902 k( 275) = ( 0.4107143 0.4107143 0.0588157), wk = 0.0028902 k( 276) = ( 0.4285714 0.4285714 0.0375730), wk = 0.0028902 k( 277) = ( 0.4464286 0.4464286 0.0163303), wk = 0.0028902 k( 278) = ( 0.4642857 0.4642857 -0.0049124), wk = 0.0028902 k( 279) = ( 0.4821429 0.4821429 -0.0261551), wk = 0.0028902 k( 280) = ( 0.5000000 0.5000000 -0.0473978), wk = 0.0028902 k( 281) = ( 0.5000000 0.5000000 -0.0473978), wk = 0.0028902 k( 282) = ( 0.5000000 0.5000000 -0.0562723), wk = 0.0028902 k( 283) = ( 0.5000000 0.5000000 -0.0651469), wk = 0.0028902 k( 284) = ( 0.5000000 0.5000000 -0.0740214), wk = 0.0028902 k( 285) = ( 0.5000000 0.5000000 -0.0828960), wk = 0.0028902 k( 286) = ( 0.5000000 0.5000000 -0.0917705), wk = 0.0028902 k( 287) = ( 0.5000000 0.5000000 -0.1006451), wk = 0.0028902 k( 288) = ( 0.5000000 0.5000000 -0.1095196), wk = 0.0028902 k( 289) = ( 0.5000000 0.5000000 -0.1183942), wk = 0.0028902 k( 290) = ( 0.5000000 0.5000000 -0.1272687), wk = 0.0028902 k( 291) = ( 0.5000000 0.5000000 -0.1361433), wk = 0.0028902 k( 292) = ( 0.5000000 0.5000000 -0.1450179), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 -0.1538924), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 -0.1627670), wk = 0.0028902 k( 295) = ( 0.5000000 0.5000000 -0.1716415), wk = 0.0028902 k( 296) = ( 0.5000000 0.5000000 -0.1805161), wk = 0.0028902 k( 297) = ( 0.5000000 0.5000000 -0.1893906), wk = 0.0028902 k( 298) = ( 0.5000000 0.5000000 -0.1982652), wk = 0.0028902 k( 299) = ( 0.5000000 0.5000000 -0.2071397), wk = 0.0028902 k( 300) = ( 0.5000000 0.5000000 -0.2160143), wk = 0.0028902 k( 301) = ( 0.5000000 0.5000000 -0.2248888), wk = 0.0028902 k( 302) = ( 0.5000000 0.5000000 -0.2337634), wk = 0.0028902 k( 303) = ( 0.5000000 0.5000000 -0.2426379), wk = 0.0028902 k( 304) = ( 0.5000000 0.5000000 -0.2515125), wk = 0.0028902 k( 305) = ( 0.5000000 0.5000000 -0.2603870), wk = 0.0028902 k( 306) = ( 0.5000000 0.5000000 -0.2692616), wk = 0.0028902 k( 307) = ( 0.5000000 0.5000000 -0.2781362), wk = 0.0028902 k( 308) = ( 0.5000000 0.5000000 -0.2870107), wk = 0.0028902 k( 309) = ( 0.5000000 0.5000000 -0.2958853), wk = 0.0028902 k( 310) = ( 0.5000000 0.5000000 -0.3047598), wk = 0.0028902 k( 311) = ( 0.5000000 0.5000000 -0.3136344), wk = 0.0028902 k( 312) = ( 0.5000000 0.5000000 -0.3225089), wk = 0.0028902 k( 313) = ( 0.5000000 0.5000000 -0.3313835), wk = 0.0028902 k( 314) = ( 0.5000000 0.5000000 -0.3402580), wk = 0.0028902 k( 315) = ( 0.5000000 0.5000000 -0.3491326), wk = 0.0028902 k( 316) = ( 0.5000000 0.5000000 -0.3580071), wk = 0.0028902 k( 317) = ( 0.5000000 0.5000000 -0.3668817), wk = 0.0028902 k( 318) = ( 0.5000000 0.5000000 -0.3757562), wk = 0.0028902 k( 319) = ( 0.5000000 0.5000000 -0.3846308), wk = 0.0028902 k( 320) = ( 0.5000000 0.5000000 -0.3935054), wk = 0.0028902 k( 321) = ( 0.5000000 0.5000000 -0.4023799), wk = 0.0028902 k( 322) = ( 0.5000000 0.5000000 -0.4112545), wk = 0.0028902 k( 323) = ( 0.5000000 0.5000000 -0.4201290), wk = 0.0028902 k( 324) = ( 0.5000000 0.5000000 -0.4290036), wk = 0.0028902 k( 325) = ( 0.5000000 0.5000000 -0.4378781), wk = 0.0028902 k( 326) = ( 0.5000000 0.5000000 -0.4467527), wk = 0.0028902 k( 327) = ( 0.5000000 0.5000000 -0.4556272), wk = 0.0028902 k( 328) = ( 0.5000000 0.5000000 -0.4645018), wk = 0.0028902 k( 329) = ( 0.5000000 0.5000000 -0.4733763), wk = 0.0028902 k( 330) = ( 0.5000000 0.5000000 -0.4822509), wk = 0.0028902 k( 331) = ( 0.5000000 0.5000000 -0.4911254), wk = 0.0028902 k( 332) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028902 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 334) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0028902 k( 335) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0028902 k( 336) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0028902 k( 337) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0028902 k( 338) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0028902 k( 339) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0028902 k( 340) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0028902 k( 341) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0028902 k( 342) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0028902 k( 343) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0028902 k( 344) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0028902 k( 345) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0028902 k( 346) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028902 Dense grid: 66777 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 29465 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 216, 48) NL pseudopotentials 0.21 Mb ( 108, 130) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1856) G-vector shells 0.01 Mb ( 825) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 216, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./K2NiO2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.7 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.4 secs Computing kpt #: 12 total cpu time spent up to now is 11.0 secs Computing kpt #: 13 total cpu time spent up to now is 11.8 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.3 secs Computing kpt #: 16 total cpu time spent up to now is 14.0 secs Computing kpt #: 17 total cpu time spent up to now is 14.8 secs Computing kpt #: 18 total cpu time spent up to now is 15.5 secs Computing kpt #: 19 total cpu time spent up to now is 16.3 secs Computing kpt #: 20 total cpu time spent up to now is 17.0 secs Computing kpt #: 21 total cpu time spent up to now is 17.8 secs Computing kpt #: 22 total cpu time spent up to now is 18.6 secs Computing kpt #: 23 total cpu time spent up to now is 19.2 secs Computing kpt #: 24 total cpu time spent up to now is 19.9 secs Computing kpt #: 25 total cpu time spent up to now is 20.5 secs Computing kpt #: 26 total cpu time spent up to now is 21.1 secs Computing kpt #: 27 total cpu time spent up to now is 21.8 secs Computing kpt #: 28 total cpu time spent up to now is 22.4 secs Computing kpt #: 29 total cpu time spent up to now is 23.0 secs Computing kpt #: 30 total cpu time spent up to now is 23.6 secs Computing kpt #: 31 total cpu time spent up to now is 24.2 secs Computing kpt #: 32 total cpu time spent up to now is 24.8 secs Computing kpt #: 33 total cpu time spent up to now is 25.4 secs Computing kpt #: 34 total cpu time spent up to now is 26.0 secs Computing kpt #: 35 total cpu time spent up to now is 26.6 secs Computing kpt #: 36 total cpu time spent up to now is 27.2 secs Computing kpt #: 37 total cpu time spent up to now is 27.8 secs Computing kpt #: 38 total cpu time spent up to now is 28.4 secs Computing kpt #: 39 total cpu time spent up to now is 29.0 secs Computing kpt #: 40 total cpu time spent up to now is 29.6 secs Computing kpt #: 41 total cpu time spent up to now is 30.2 secs Computing kpt #: 42 total cpu time spent up to now is 30.8 secs Computing kpt #: 43 total cpu time spent up to now is 31.3 secs Computing kpt #: 44 total cpu time spent up to now is 31.9 secs Computing kpt #: 45 total cpu time spent up to now is 32.5 secs Computing kpt #: 46 total cpu time spent up to now is 33.1 secs Computing kpt #: 47 total cpu time spent up to now is 33.7 secs Computing kpt #: 48 total cpu time spent up to now is 34.3 secs Computing kpt #: 49 total cpu time spent up to now is 34.9 secs Computing kpt #: 50 total cpu time spent up to now is 35.5 secs Computing kpt #: 51 total cpu time spent up to now is 36.1 secs Computing kpt #: 52 total cpu time spent up to now is 36.7 secs Computing kpt #: 53 total cpu time spent up to now is 37.3 secs Computing kpt #: 54 total cpu time spent up to now is 37.9 secs Computing kpt #: 55 total cpu time spent up to now is 38.5 secs Computing kpt #: 56 total cpu time spent up to now is 39.1 secs Computing kpt #: 57 total cpu time spent up to now is 39.7 secs Computing kpt #: 58 total cpu time spent up to now is 40.4 secs Computing kpt #: 59 total cpu time spent up to now is 41.0 secs Computing kpt #: 60 total cpu time spent up to now is 41.7 secs Computing kpt #: 61 total cpu time spent up to now is 42.4 secs Computing kpt #: 62 total cpu time spent up to now is 43.1 secs Computing kpt #: 63 total cpu time spent up to now is 43.8 secs Computing kpt #: 64 total cpu time spent up to now is 44.5 secs Computing kpt #: 65 total cpu time spent up to now is 45.3 secs Computing kpt #: 66 total cpu time spent up to now is 46.0 secs Computing kpt #: 67 total cpu time spent up to now is 46.7 secs Computing kpt #: 68 total cpu time spent up to now is 47.5 secs Computing kpt #: 69 total cpu time spent up to now is 48.2 secs Computing kpt #: 70 total cpu time spent up to now is 48.9 secs Computing kpt #: 71 total cpu time spent up to now is 49.7 secs Computing kpt #: 72 total cpu time spent up to now is 50.4 secs Computing kpt #: 73 total cpu time spent up to now is 51.1 secs Computing kpt #: 74 total cpu time spent up to now is 51.8 secs Computing kpt #: 75 total cpu time spent up to now is 52.4 secs Computing kpt #: 76 total cpu time spent up to now is 53.1 secs Computing kpt #: 77 total cpu time spent up to now is 53.7 secs Computing kpt #: 78 total cpu time spent up to now is 54.5 secs Computing kpt #: 79 total cpu time spent up to now is 55.3 secs Computing kpt #: 80 total cpu time spent up to now is 56.1 secs Computing kpt #: 81 total cpu time spent up to now is 56.8 secs Computing kpt #: 82 total cpu time spent up to now is 57.6 secs Computing kpt #: 83 total cpu time spent up to now is 58.4 secs Computing kpt #: 84 total cpu time spent up to now is 59.2 secs Computing kpt #: 85 total cpu time spent up to now is 59.9 secs Computing kpt #: 86 total cpu time spent up to now is 60.7 secs Computing kpt #: 87 total cpu time spent up to now is 61.4 secs Computing kpt #: 88 total cpu time spent up to now is 62.2 secs Computing kpt #: 89 total cpu time spent up to now is 62.8 secs Computing kpt #: 90 total cpu time spent up to now is 63.6 secs Computing kpt #: 91 total cpu time spent up to now is 64.3 secs Computing kpt #: 92 total cpu time spent up to now is 64.9 secs Computing kpt #: 93 total cpu time spent up to now is 65.7 secs Computing kpt #: 94 total cpu time spent up to now is 66.3 secs Computing kpt #: 95 total cpu time spent up to now is 67.0 secs Computing kpt #: 96 total cpu time spent up to now is 67.6 secs Computing kpt #: 97 total cpu time spent up to now is 68.2 secs Computing kpt #: 98 total cpu time spent up to now is 69.0 secs Computing kpt #: 99 total cpu time spent up to now is 69.9 secs Computing kpt #: 100 total cpu time spent up to now is 70.5 secs Computing kpt #: 101 total cpu time spent up to now is 71.2 secs Computing kpt #: 102 total cpu time spent up to now is 71.8 secs Computing kpt #: 103 total cpu time spent up to now is 72.4 secs Computing kpt #: 104 total cpu time spent up to now is 73.0 secs Computing kpt #: 105 total cpu time spent up to now is 73.6 secs Computing kpt #: 106 total cpu time spent up to now is 74.3 secs Computing kpt #: 107 total cpu time spent up to now is 74.9 secs Computing kpt #: 108 total cpu time spent up to now is 75.5 secs Computing kpt #: 109 total cpu time spent up to now is 76.1 secs Computing kpt #: 110 total cpu time spent up to now is 76.8 secs Computing kpt #: 111 total cpu time spent up to now is 77.4 secs Computing kpt #: 112 total cpu time spent up to now is 78.0 secs Computing kpt #: 113 total cpu time spent up to now is 78.6 secs Computing kpt #: 114 total cpu time spent up to now is 79.3 secs Computing kpt #: 115 total cpu time spent up to now is 80.0 secs Computing kpt #: 116 total cpu time spent up to now is 80.8 secs Computing kpt #: 117 total cpu time spent up to now is 81.5 secs Computing kpt #: 118 total cpu time spent up to now is 82.2 secs Computing kpt #: 119 total cpu time spent up to now is 83.0 secs Computing kpt #: 120 total cpu time spent up to now is 83.7 secs Computing kpt #: 121 total cpu time spent up to now is 84.5 secs Computing kpt #: 122 total cpu time spent up to now is 85.2 secs Computing kpt #: 123 total cpu time spent up to now is 86.0 secs Computing kpt #: 124 total cpu time spent up to now is 86.7 secs Computing kpt #: 125 total cpu time spent up to now is 87.5 secs Computing kpt #: 126 total cpu time spent up to now is 88.2 secs Computing kpt #: 127 total cpu time spent up to now is 88.9 secs Computing kpt #: 128 total cpu time spent up to now is 89.6 secs Computing kpt #: 129 total cpu time spent up to now is 90.4 secs Computing kpt #: 130 total cpu time spent up to now is 91.1 secs Computing kpt #: 131 total cpu time spent up to now is 91.9 secs Computing kpt #: 132 total cpu time spent up to now is 92.6 secs Computing kpt #: 133 total cpu time spent up to now is 93.3 secs Computing kpt #: 134 total cpu time spent up to now is 94.1 secs Computing kpt #: 135 total cpu time spent up to now is 94.8 secs Computing kpt #: 136 total cpu time spent up to now is 95.5 secs Computing kpt #: 137 total cpu time spent up to now is 96.3 secs Computing kpt #: 138 total cpu time spent up to now is 96.9 secs Computing kpt #: 139 total cpu time spent up to now is 97.6 secs Computing kpt #: 140 total cpu time spent up to now is 98.2 secs Computing kpt #: 141 total cpu time spent up to now is 98.9 secs Computing kpt #: 142 total cpu time spent up to now is 99.5 secs Computing kpt #: 143 total cpu time spent up to now is 100.2 secs Computing kpt #: 144 total cpu time spent up to now is 100.8 secs Computing kpt #: 145 total cpu time spent up to now is 101.5 secs Computing kpt #: 146 total cpu time spent up to now is 102.2 secs Computing kpt #: 147 total cpu time spent up to now is 102.9 secs Computing kpt #: 148 total cpu time spent up to now is 103.6 secs Computing kpt #: 149 total cpu time spent up to now is 104.2 secs Computing kpt #: 150 total cpu time spent up to now is 104.9 secs Computing kpt #: 151 total cpu time spent up to now is 105.6 secs Computing kpt #: 152 total cpu time spent up to now is 106.3 secs Computing kpt #: 153 total cpu time spent up to now is 107.0 secs Computing kpt #: 154 total cpu time spent up to now is 107.7 secs Computing kpt #: 155 total cpu time spent up to now is 108.3 secs Computing kpt #: 156 total cpu time spent up to now is 109.0 secs Computing kpt #: 157 total cpu time spent up to now is 109.6 secs Computing kpt #: 158 total cpu time spent up to now is 110.2 secs Computing kpt #: 159 total cpu time spent up to now is 110.8 secs Computing kpt #: 160 total cpu time spent up to now is 111.5 secs Computing kpt #: 161 total cpu time spent up to now is 112.1 secs Computing kpt #: 162 total cpu time spent up to now is 112.7 secs Computing kpt #: 163 total cpu time spent up to now is 113.3 secs Computing kpt #: 164 total cpu time spent up to now is 113.9 secs Computing kpt #: 165 total cpu time spent up to now is 114.5 secs Computing kpt #: 166 total cpu time spent up to now is 115.1 secs Computing kpt #: 167 total cpu time spent up to now is 115.7 secs Computing kpt #: 168 total cpu time spent up to now is 116.3 secs Computing kpt #: 169 total cpu time spent up to now is 116.9 secs Computing kpt #: 170 total cpu time spent up to now is 117.5 secs Computing kpt #: 171 total cpu time spent up to now is 118.0 secs Computing kpt #: 172 total cpu time spent up to now is 118.6 secs Computing kpt #: 173 total cpu time spent up to now is 119.2 secs Computing kpt #: 174 total cpu time spent up to now is 119.8 secs Computing kpt #: 175 total cpu time spent up to now is 120.3 secs Computing kpt #: 176 total cpu time spent up to now is 120.9 secs Computing kpt #: 177 total cpu time spent up to now is 121.5 secs Computing kpt #: 178 total cpu time spent up to now is 122.1 secs Computing kpt #: 179 total cpu time spent up to now is 122.7 secs Computing kpt #: 180 total cpu time spent up to now is 123.3 secs Computing kpt #: 181 total cpu time spent up to now is 123.9 secs Computing kpt #: 182 total cpu time spent up to now is 124.5 secs Computing kpt #: 183 total cpu time spent up to now is 125.1 secs Computing kpt #: 184 total cpu time spent up to now is 125.7 secs Computing kpt #: 185 total cpu time spent up to now is 126.4 secs Computing kpt #: 186 total cpu time spent up to now is 127.0 secs Computing kpt #: 187 total cpu time spent up to now is 127.6 secs Computing kpt #: 188 total cpu time spent up to now is 128.3 secs Computing kpt #: 189 total cpu time spent up to now is 128.9 secs Computing kpt #: 190 total cpu time spent up to now is 129.6 secs Computing kpt #: 191 total cpu time spent up to now is 130.2 secs Computing kpt #: 192 total cpu time spent up to now is 130.9 secs Computing kpt #: 193 total cpu time spent up to now is 131.6 secs Computing kpt #: 194 total cpu time spent up to now is 132.2 secs Computing kpt #: 195 total cpu time spent up to now is 132.9 secs Computing kpt #: 196 total cpu time spent up to now is 133.5 secs Computing kpt #: 197 total cpu time spent up to now is 134.1 secs Computing kpt #: 198 total cpu time spent up to now is 134.8 secs Computing kpt #: 199 total cpu time spent up to now is 135.3 secs Computing kpt #: 200 total cpu time spent up to now is 136.0 secs Computing kpt #: 201 total cpu time spent up to now is 136.6 secs Computing kpt #: 202 total cpu time spent up to now is 137.2 secs Computing kpt #: 203 total cpu time spent up to now is 137.8 secs Computing kpt #: 204 total cpu time spent up to now is 138.5 secs Computing kpt #: 205 total cpu time spent up to now is 139.1 secs Computing kpt #: 206 total cpu time spent up to now is 139.7 secs Computing kpt #: 207 total cpu time spent up to now is 140.4 secs Computing kpt #: 208 total cpu time spent up to now is 141.0 secs Computing kpt #: 209 total cpu time spent up to now is 141.6 secs Computing kpt #: 210 total cpu time spent up to now is 142.2 secs Computing kpt #: 211 total cpu time spent up to now is 142.8 secs Computing kpt #: 212 total cpu time spent up to now is 143.5 secs Computing kpt #: 213 total cpu time spent up to now is 144.1 secs Computing kpt #: 214 total cpu time spent up to now is 144.7 secs Computing kpt #: 215 total cpu time spent up to now is 145.4 secs Computing kpt #: 216 total cpu time spent up to now is 146.0 secs Computing kpt #: 217 total cpu time spent up to now is 146.7 secs Computing kpt #: 218 total cpu time spent up to now is 147.4 secs Computing kpt #: 219 total cpu time spent up to now is 148.0 secs Computing kpt #: 220 total cpu time spent up to now is 148.7 secs Computing kpt #: 221 total cpu time spent up to now is 149.3 secs Computing kpt #: 222 total cpu time spent up to now is 150.0 secs Computing kpt #: 223 total cpu time spent up to now is 150.6 secs Computing kpt #: 224 total cpu time spent up to now is 151.3 secs Computing kpt #: 225 total cpu time spent up to now is 151.9 secs Computing kpt #: 226 total cpu time spent up to now is 152.5 secs Computing kpt #: 227 total cpu time spent up to now is 153.2 secs Computing kpt #: 228 total cpu time spent up to now is 153.8 secs Computing kpt #: 229 total cpu time spent up to now is 154.4 secs Computing kpt #: 230 total cpu time spent up to now is 155.1 secs Computing kpt #: 231 total cpu time spent up to now is 155.7 secs Computing kpt #: 232 total cpu time spent up to now is 156.4 secs Computing kpt #: 233 total cpu time spent up to now is 157.0 secs Computing kpt #: 234 total cpu time spent up to now is 157.6 secs Computing kpt #: 235 total cpu time spent up to now is 158.3 secs Computing kpt #: 236 total cpu time spent up to now is 158.9 secs Computing kpt #: 237 total cpu time spent up to now is 159.6 secs Computing kpt #: 238 total cpu time spent up to now is 160.2 secs Computing kpt #: 239 total cpu time spent up to now is 160.9 secs Computing kpt #: 240 total cpu time spent up to now is 161.5 secs Computing kpt #: 241 total cpu time spent up to now is 162.1 secs Computing kpt #: 242 total cpu time spent up to now is 162.8 secs Computing kpt #: 243 total cpu time spent up to now is 163.4 secs Computing kpt #: 244 total cpu time spent up to now is 164.1 secs Computing kpt #: 245 total cpu time spent up to now is 164.8 secs Computing kpt #: 246 total cpu time spent up to now is 165.4 secs Computing kpt #: 247 total cpu time spent up to now is 166.2 secs Computing kpt #: 248 total cpu time spent up to now is 166.8 secs Computing kpt #: 249 total cpu time spent up to now is 167.5 secs Computing kpt #: 250 total cpu time spent up to now is 168.2 secs Computing kpt #: 251 total cpu time spent up to now is 168.8 secs Computing kpt #: 252 total cpu time spent up to now is 169.5 secs Computing kpt #: 253 total cpu time spent up to now is 170.2 secs Computing kpt #: 254 total cpu time spent up to now is 170.9 secs Computing kpt #: 255 total cpu time spent up to now is 171.6 secs Computing kpt #: 256 total cpu time spent up to now is 172.2 secs Computing kpt #: 257 total cpu time spent up to now is 172.9 secs Computing kpt #: 258 total cpu time spent up to now is 173.5 secs Computing kpt #: 259 total cpu time spent up to now is 174.2 secs Computing kpt #: 260 total cpu time spent up to now is 174.8 secs Computing kpt #: 261 total cpu time spent up to now is 175.4 secs Computing kpt #: 262 total cpu time spent up to now is 176.0 secs Computing kpt #: 263 total cpu time spent up to now is 176.6 secs Computing kpt #: 264 total cpu time spent up to now is 177.2 secs Computing kpt #: 265 total cpu time spent up to now is 177.9 secs Computing kpt #: 266 total cpu time spent up to now is 178.5 secs Computing kpt #: 267 total cpu time spent up to now is 179.1 secs Computing kpt #: 268 total cpu time spent up to now is 179.7 secs Computing kpt #: 269 total cpu time spent up to now is 180.3 secs Computing kpt #: 270 total cpu time spent up to now is 180.9 secs Computing kpt #: 271 total cpu time spent up to now is 181.5 secs Computing kpt #: 272 total cpu time spent up to now is 182.2 secs Computing kpt #: 273 total cpu time spent up to now is 182.8 secs Computing kpt #: 274 total cpu time spent up to now is 183.5 secs Computing kpt #: 275 total cpu time spent up to now is 184.3 secs Computing kpt #: 276 total cpu time spent up to now is 185.0 secs Computing kpt #: 277 total cpu time spent up to now is 185.7 secs Computing kpt #: 278 total cpu time spent up to now is 186.4 secs Computing kpt #: 279 total cpu time spent up to now is 187.2 secs Computing kpt #: 280 total cpu time spent up to now is 187.9 secs Computing kpt #: 281 total cpu time spent up to now is 188.6 secs Computing kpt #: 282 total cpu time spent up to now is 189.4 secs Computing kpt #: 283 total cpu time spent up to now is 190.1 secs Computing kpt #: 284 total cpu time spent up to now is 190.8 secs Computing kpt #: 285 total cpu time spent up to now is 191.6 secs Computing kpt #: 286 total cpu time spent up to now is 192.2 secs Computing kpt #: 287 total cpu time spent up to now is 192.8 secs Computing kpt #: 288 total cpu time spent up to now is 193.5 secs Computing kpt #: 289 total cpu time spent up to now is 194.1 secs Computing kpt #: 290 total cpu time spent up to now is 194.7 secs Computing kpt #: 291 total cpu time spent up to now is 195.4 secs Computing kpt #: 292 total cpu time spent up to now is 196.0 secs Computing kpt #: 293 total cpu time spent up to now is 196.6 secs Computing kpt #: 294 total cpu time spent up to now is 197.2 secs Computing kpt #: 295 total cpu time spent up to now is 197.9 secs Computing kpt #: 296 total cpu time spent up to now is 198.5 secs Computing kpt #: 297 total cpu time spent up to now is 199.1 secs Computing kpt #: 298 total cpu time spent up to now is 199.8 secs Computing kpt #: 299 total cpu time spent up to now is 200.4 secs Computing kpt #: 300 total cpu time spent up to now is 201.1 secs Computing kpt #: 301 total cpu time spent up to now is 201.7 secs Computing kpt #: 302 total cpu time spent up to now is 202.3 secs Computing kpt #: 303 total cpu time spent up to now is 203.0 secs Computing kpt #: 304 total cpu time spent up to now is 203.6 secs Computing kpt #: 305 total cpu time spent up to now is 204.2 secs Computing kpt #: 306 total cpu time spent up to now is 204.9 secs Computing kpt #: 307 total cpu time spent up to now is 205.5 secs Computing kpt #: 308 total cpu time spent up to now is 206.2 secs Computing kpt #: 309 total cpu time spent up to now is 206.8 secs Computing kpt #: 310 total cpu time spent up to now is 207.5 secs Computing kpt #: 311 total cpu time spent up to now is 208.1 secs Computing kpt #: 312 total cpu time spent up to now is 208.9 secs Computing kpt #: 313 total cpu time spent up to now is 209.5 secs Computing kpt #: 314 total cpu time spent up to now is 210.3 secs Computing kpt #: 315 total cpu time spent up to now is 211.0 secs Computing kpt #: 316 total cpu time spent up to now is 211.7 secs Computing kpt #: 317 total cpu time spent up to now is 212.4 secs Computing kpt #: 318 total cpu time spent up to now is 213.1 secs Computing kpt #: 319 total cpu time spent up to now is 213.7 secs Computing kpt #: 320 total cpu time spent up to now is 214.4 secs Computing kpt #: 321 total cpu time spent up to now is 215.0 secs Computing kpt #: 322 total cpu time spent up to now is 215.6 secs Computing kpt #: 323 total cpu time spent up to now is 216.2 secs Computing kpt #: 324 total cpu time spent up to now is 216.8 secs Computing kpt #: 325 total cpu time spent up to now is 217.4 secs Computing kpt #: 326 total cpu time spent up to now is 218.1 secs Computing kpt #: 327 total cpu time spent up to now is 218.6 secs Computing kpt #: 328 total cpu time spent up to now is 219.2 secs Computing kpt #: 329 total cpu time spent up to now is 219.8 secs Computing kpt #: 330 total cpu time spent up to now is 220.4 secs Computing kpt #: 331 total cpu time spent up to now is 221.0 secs Computing kpt #: 332 total cpu time spent up to now is 221.5 secs Computing kpt #: 333 total cpu time spent up to now is 222.1 secs Computing kpt #: 334 total cpu time spent up to now is 222.8 secs Computing kpt #: 335 total cpu time spent up to now is 223.4 secs Computing kpt #: 336 total cpu time spent up to now is 224.0 secs Computing kpt #: 337 total cpu time spent up to now is 224.6 secs Computing kpt #: 338 total cpu time spent up to now is 225.2 secs Computing kpt #: 339 total cpu time spent up to now is 225.8 secs Computing kpt #: 340 total cpu time spent up to now is 226.4 secs Computing kpt #: 341 total cpu time spent up to now is 227.0 secs Computing kpt #: 342 total cpu time spent up to now is 227.6 secs Computing kpt #: 343 total cpu time spent up to now is 228.3 secs Computing kpt #: 344 total cpu time spent up to now is 228.9 secs Computing kpt #: 345 total cpu time spent up to now is 229.5 secs Computing kpt #: 346 total cpu time spent up to now is 230.1 secs ethr = 2.50E-08, avg # of iterations = 19.3 total cpu time spent up to now is 230.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3711 PWs) bands (ev): -24.7647 -24.7647 -24.6927 -24.6927 -12.8894 -12.8894 -12.4183 -12.4183 -8.5629 -8.5629 -8.2670 -8.2670 -8.2665 -8.2665 -8.1548 -8.1548 -8.0054 -8.0054 -7.9898 -7.9898 -0.2953 -0.2953 1.0781 1.0781 1.1284 1.1284 2.0277 2.0277 2.4606 2.4606 2.4918 2.4918 2.9860 2.9860 3.4110 3.4110 3.7005 3.7005 4.8541 4.8541 4.9289 4.9289 7.4154 7.4154 9.7741 9.7741 10.6554 10.6554 k = 0.0000 0.0000 0.0220 ( 3707 PWs) bands (ev): -24.7646 -24.7646 -24.6927 -24.6927 -12.8895 -12.8895 -12.4185 -12.4185 -8.5628 -8.5628 -8.2684 -8.2684 -8.2651 -8.2651 -8.1547 -8.1547 -8.0054 -8.0054 -7.9898 -7.9898 -0.2952 -0.2952 1.0777 1.0777 1.1280 1.1280 2.0277 2.0277 2.4593 2.4593 2.4905 2.4905 2.9879 2.9879 3.4113 3.4113 3.7005 3.7005 4.8538 4.8538 4.9285 4.9285 7.4168 7.4168 9.7759 9.7759 10.6544 10.6544 k = 0.0000 0.0000 0.0439 ( 3703 PWs) bands (ev): -24.7645 -24.7645 -24.6927 -24.6927 -12.8898 -12.8898 -12.4188 -12.4188 -8.5625 -8.5625 -8.2699 -8.2699 -8.2634 -8.2634 -8.1544 -8.1544 -8.0054 -8.0054 -7.9901 -7.9901 -0.2950 -0.2950 1.0766 1.0766 1.1269 1.1269 2.0278 2.0278 2.4549 2.4549 2.4868 2.4868 2.9934 2.9934 3.4121 3.4121 3.7003 3.7003 4.8527 4.8527 4.9274 4.9274 7.4209 7.4209 9.7814 9.7814 10.6516 10.6516 k = 0.0000 0.0000 0.0659 ( 3703 PWs) bands (ev): -24.7642 -24.7642 -24.6927 -24.6927 -12.8903 -12.8903 -12.4193 -12.4193 -8.5620 -8.5620 -8.2713 -8.2713 -8.2617 -8.2617 -8.1539 -8.1539 -8.0055 -8.0055 -7.9904 -7.9904 -0.2946 -0.2946 1.0745 1.0745 1.1249 1.1249 2.0279 2.0279 2.4469 2.4469 2.4817 2.4817 3.0024 3.0024 3.4134 3.4134 3.7000 3.7000 4.8508 4.8508 4.9256 4.9256 7.4277 7.4277 9.7905 9.7905 10.6468 10.6468 k = 0.0000 0.0000 0.0879 ( 3703 PWs) bands (ev): -24.7639 -24.7639 -24.6927 -24.6927 -12.8910 -12.8910 -12.4200 -12.4200 -8.5613 -8.5613 -8.2728 -8.2728 -8.2600 -8.2600 -8.1532 -8.1532 -8.0057 -8.0057 -7.9910 -7.9910 -0.2941 -0.2941 1.0716 1.0716 1.1223 1.1223 2.0281 2.0281 2.4348 2.4348 2.4760 2.4760 3.0144 3.0144 3.4152 3.4152 3.6995 3.6995 4.8482 4.8482 4.9231 4.9231 7.4372 7.4372 9.8033 9.8033 10.6404 10.6404 k = 0.0000 0.0000 0.1099 ( 3699 PWs) bands (ev): -24.7634 -24.7634 -24.6927 -24.6927 -12.8919 -12.8919 -12.4209 -12.4209 -8.5604 -8.5604 -8.2742 -8.2742 -8.2584 -8.2584 -8.1523 -8.1523 -8.0059 -8.0059 -7.9916 -7.9916 -0.2935 -0.2935 1.0678 1.0678 1.1192 1.1192 2.0283 2.0283 2.4187 2.4187 2.4703 2.4703 3.0291 3.0291 3.4176 3.4176 3.6990 3.6990 4.8448 4.8448 4.9201 4.9201 7.4491 7.4491 9.8195 9.8195 10.6323 10.6323 k = 0.0000 0.0000 0.1318 ( 3695 PWs) bands (ev): -24.7629 -24.7629 -24.6927 -24.6927 -12.8929 -12.8929 -12.4219 -12.4219 -8.5593 -8.5593 -8.2756 -8.2756 -8.2568 -8.2568 -8.1511 -8.1511 -8.0063 -8.0063 -7.9923 -7.9923 -0.2927 -0.2927 1.0630 1.0630 1.1157 1.1157 2.0286 2.0286 2.3993 2.3993 2.4643 2.4643 3.0461 3.0461 3.4203 3.4203 3.6983 3.6983 4.8408 4.8408 4.9165 4.9165 7.4634 7.4634 9.8392 9.8392 10.6229 10.6229 k = 0.0000 0.0000 0.1538 ( 3695 PWs) bands (ev): -24.7622 -24.7622 -24.6927 -24.6927 -12.8941 -12.8941 -12.4231 -12.4231 -8.5580 -8.5580 -8.2771 -8.2771 -8.2553 -8.2553 -8.1495 -8.1495 -8.0069 -8.0069 -7.9932 -7.9932 -0.2918 -0.2918 1.0572 1.0572 1.1118 1.1118 2.0289 2.0289 2.3773 2.3773 2.4580 2.4580 3.0651 3.0651 3.4235 3.4235 3.6975 3.6975 4.8360 4.8360 4.9125 4.9125 7.4800 7.4800 9.8622 9.8622 10.6122 10.6122 k = 0.0000 0.0000 0.1758 ( 3703 PWs) bands (ev): -24.7615 -24.7615 -24.6927 -24.6927 -12.8954 -12.8954 -12.4245 -12.4245 -8.5565 -8.5565 -8.2787 -8.2787 -8.2541 -8.2541 -8.1476 -8.1476 -8.0077 -8.0077 -7.9941 -7.9941 -0.2908 -0.2908 1.0503 1.0503 1.1077 1.1077 2.0293 2.0293 2.3531 2.3531 2.4513 2.4513 3.0857 3.0857 3.4269 3.4269 3.6965 3.6965 4.8306 4.8306 4.9081 4.9081 7.4987 7.4987 9.8883 9.8883 10.6005 10.6005 k = 0.0000 0.0000 0.1978 ( 3703 PWs) bands (ev): -24.7607 -24.7607 -24.6927 -24.6927 -12.8969 -12.8969 -12.4259 -12.4259 -8.5549 -8.5549 -8.2804 -8.2804 -8.2531 -8.2531 -8.1453 -8.1453 -8.0086 -8.0086 -7.9951 -7.9951 -0.2896 -0.2896 1.0424 1.0424 1.1034 1.1034 2.0297 2.0297 2.3274 2.3274 2.4440 2.4440 3.1078 3.1078 3.4309 3.4309 3.6955 3.6955 4.8245 4.8245 4.9035 4.9035 7.5193 7.5193 9.9174 9.9174 10.5880 10.5880 k = 0.0000 0.0000 0.2197 ( 3703 PWs) bands (ev): -24.7598 -24.7598 -24.6928 -24.6928 -12.8985 -12.8985 -12.4274 -12.4274 -8.5530 -8.5530 -8.2823 -8.2823 -8.2524 -8.2524 -8.1426 -8.1426 -8.0098 -8.0098 -7.9962 -7.9962 -0.2883 -0.2883 1.0335 1.0335 1.0991 1.0991 2.0302 2.0302 2.3005 2.3005 2.4363 2.4363 3.1312 3.1312 3.4351 3.4351 3.6943 3.6943 4.8179 4.8179 4.8986 4.8986 7.5416 7.5416 9.9494 9.9494 10.5748 10.5748 k = 0.0000 0.0000 0.2417 ( 3695 PWs) bands (ev): -24.7588 -24.7588 -24.6928 -24.6928 -12.9001 -12.9001 -12.4290 -12.4290 -8.5511 -8.5511 -8.2842 -8.2842 -8.2520 -8.2520 -8.1395 -8.1395 -8.0113 -8.0113 -7.9973 -7.9973 -0.2869 -0.2869 1.0237 1.0237 1.0948 1.0948 2.0307 2.0307 2.2730 2.2730 2.4280 2.4280 3.1557 3.1557 3.4396 3.4396 3.6932 3.6932 4.8109 4.8109 4.8937 4.8937 7.5655 7.5655 9.9840 9.9840 10.5611 10.5611 k = 0.0000 0.0000 0.2637 ( 3699 PWs) bands (ev): -24.7577 -24.7577 -24.6928 -24.6928 -12.9018 -12.9018 -12.4306 -12.4306 -8.5490 -8.5490 -8.2864 -8.2864 -8.2520 -8.2520 -8.1361 -8.1361 -8.0130 -8.0130 -7.9986 -7.9986 -0.2853 -0.2853 1.0132 1.0132 1.0904 1.0904 2.0313 2.0313 2.2449 2.2449 2.4193 2.4193 3.1812 3.1812 3.4443 3.4443 3.6919 3.6919 4.8034 4.8034 4.8886 4.8886 7.5908 7.5908 10.0209 10.0209 10.5471 10.5471 k = 0.0000 0.0000 0.2856 ( 3697 PWs) bands (ev): -24.7566 -24.7566 -24.6928 -24.6928 -12.9035 -12.9035 -12.4323 -12.4323 -8.5467 -8.5467 -8.2887 -8.2887 -8.2523 -8.2523 -8.1323 -8.1323 -8.0149 -8.0149 -8.0000 -8.0000 -0.2836 -0.2836 1.0019 1.0019 1.0860 1.0860 2.0319 2.0319 2.2168 2.2168 2.4102 2.4102 3.2077 3.2077 3.4492 3.4492 3.6906 3.6906 4.7957 4.7957 4.8835 4.8835 7.6173 7.6173 10.0599 10.0599 10.5328 10.5328 k = 0.0000 0.0000 0.3076 ( 3693 PWs) bands (ev): -24.7554 -24.7554 -24.6929 -24.6929 -12.9053 -12.9053 -12.4339 -12.4339 -8.5444 -8.5444 -8.2912 -8.2912 -8.2530 -8.2530 -8.1282 -8.1282 -8.0170 -8.0170 -8.0016 -8.0016 -0.2818 -0.2818 0.9902 0.9902 1.0816 1.0816 2.0326 2.0326 2.1888 2.1888 2.4006 2.4006 3.2351 3.2351 3.4543 3.4543 3.6893 3.6893 4.7878 4.7878 4.8783 4.8783 7.6448 7.6448 10.1008 10.1008 10.5184 10.5184 k = 0.0000 0.0000 0.3296 ( 3689 PWs) bands (ev): -24.7541 -24.7541 -24.6929 -24.6929 -12.9071 -12.9071 -12.4355 -12.4355 -8.5419 -8.5419 -8.2940 -8.2940 -8.2540 -8.2540 -8.1240 -8.1240 -8.0193 -8.0193 -8.0035 -8.0035 -0.2799 -0.2799 0.9781 0.9781 1.0771 1.0771 2.0334 2.0334 2.1611 2.1611 2.3908 2.3908 3.2634 3.2634 3.4594 3.4594 3.6880 3.6880 4.7798 4.7798 4.8732 4.8732 7.6732 7.6732 10.1430 10.1430 10.5039 10.5039 k = 0.0000 0.0000 0.3516 ( 3689 PWs) bands (ev): -24.7527 -24.7527 -24.6929 -24.6929 -12.9088 -12.9088 -12.4370 -12.4370 -8.5394 -8.5394 -8.2970 -8.2970 -8.2554 -8.2554 -8.1197 -8.1197 -8.0219 -8.0219 -8.0056 -8.0056 -0.2779 -0.2779 0.9657 0.9657 1.0726 1.0726 2.0341 2.0341 2.1342 2.1342 2.3807 2.3807 3.2924 3.2924 3.4645 3.4645 3.6868 3.6868 4.7719 4.7719 4.8681 4.8681 7.7023 7.7023 10.1863 10.1863 10.4892 10.4892 k = 0.0000 0.0000 0.3735 ( 3691 PWs) bands (ev): -24.7513 -24.7513 -24.6930 -24.6930 -12.9104 -12.9104 -12.4384 -12.4384 -8.5368 -8.5368 -8.3002 -8.3002 -8.2570 -8.2570 -8.1154 -8.1154 -8.0245 -8.0245 -8.0081 -8.0081 -0.2758 -0.2758 0.9532 0.9532 1.0681 1.0681 2.0350 2.0350 2.1080 2.1080 2.3704 2.3704 3.3223 3.3223 3.4696 3.4696 3.6856 3.6856 4.7642 4.7642 4.8630 4.8630 7.7319 7.7319 10.2302 10.2302 10.4743 10.4743 k = 0.0000 0.0000 0.3955 ( 3695 PWs) bands (ev): -24.7499 -24.7499 -24.6930 -24.6930 -12.9120 -12.9120 -12.4397 -12.4397 -8.5341 -8.5341 -8.3036 -8.3036 -8.2589 -8.2589 -8.1112 -8.1112 -8.0273 -8.0273 -8.0108 -8.0108 -0.2737 -0.2737 0.9408 0.9408 1.0635 1.0635 2.0359 2.0359 2.0829 2.0829 2.3598 2.3598 3.3529 3.3529 3.4745 3.4745 3.6845 3.6845 4.7567 4.7567 4.8580 4.8580 7.7621 7.7621 10.2743 10.2743 10.4592 10.4592 k = 0.0000 0.0000 0.4175 ( 3699 PWs) bands (ev): -24.7483 -24.7483 -24.6931 -24.6931 -12.9135 -12.9135 -12.4408 -12.4408 -8.5315 -8.5315 -8.3073 -8.3073 -8.2611 -8.2611 -8.1073 -8.1073 -8.0302 -8.0302 -8.0138 -8.0138 -0.2714 -0.2714 0.9285 0.9285 1.0589 1.0589 2.0368 2.0368 2.0590 2.0590 2.3492 2.3492 3.3842 3.3842 3.4794 3.4794 3.6836 3.6836 4.7495 4.7495 4.8531 4.8531 7.7926 7.7926 10.3180 10.3180 10.4438 10.4438 k = 0.0000 0.0000 0.4395 ( 3699 PWs) bands (ev): -24.7468 -24.7468 -24.6931 -24.6931 -12.9149 -12.9149 -12.4418 -12.4418 -8.5289 -8.5289 -8.3112 -8.3112 -8.2634 -8.2634 -8.1037 -8.1037 -8.0333 -8.0333 -8.0172 -8.0172 -0.2692 -0.2692 0.9165 0.9165 1.0543 1.0543 2.0361 2.0361 2.0382 2.0382 2.3384 2.3384 3.4161 3.4161 3.4841 3.4841 3.6829 3.6829 4.7427 4.7427 4.8483 4.8483 7.8234 7.8234 10.3608 10.3608 10.4277 10.4277 k = 0.0000 0.0000 0.4614 ( 3699 PWs) bands (ev): -24.7452 -24.7452 -24.6932 -24.6932 -12.9161 -12.9161 -12.4426 -12.4426 -8.5263 -8.5263 -8.3153 -8.3153 -8.2658 -8.2658 -8.1006 -8.1006 -8.0366 -8.0366 -8.0207 -8.0207 -0.2669 -0.2669 0.9050 0.9050 1.0497 1.0497 2.0154 2.0154 2.0390 2.0390 2.3277 2.3277 3.4485 3.4485 3.4887 3.4887 3.6825 3.6825 4.7364 4.7364 4.8436 4.8436 7.8544 7.8544 10.4009 10.4009 10.4115 10.4115 k = 0.0000 0.0000 0.4834 ( 3699 PWs) bands (ev): -24.7435 -24.7435 -24.6933 -24.6933 -12.9172 -12.9172 -12.4431 -12.4431 -8.5238 -8.5238 -8.3196 -8.3196 -8.2683 -8.2683 -8.0980 -8.0980 -8.0402 -8.0402 -8.0242 -8.0242 -0.2645 -0.2645 0.8939 0.8939 1.0451 1.0451 1.9961 1.9961 2.0401 2.0401 2.3169 2.3169 3.4796 3.4796 3.4950 3.4950 3.6823 3.6823 4.7306 4.7306 4.8390 4.8390 7.8855 7.8855 10.3827 10.3827 10.4008 10.4008 k = 0.0000 0.0000 0.5054 ( 3695 PWs) bands (ev): -24.7418 -24.7418 -24.6933 -24.6933 -12.9180 -12.9180 -12.4435 -12.4435 -8.5214 -8.5214 -8.3241 -8.3241 -8.2708 -8.2708 -8.0961 -8.0961 -8.0443 -8.0443 -8.0276 -8.0276 -0.2622 -0.2622 0.8835 0.8835 1.0405 1.0405 1.9785 1.9785 2.0412 2.0412 2.3062 2.3062 3.4933 3.4933 3.5188 3.5188 3.6825 3.6825 4.7255 4.7255 4.8346 4.8346 7.9167 7.9167 10.3311 10.3311 10.3787 10.3787 k = 0.0000 0.0000 0.5273 ( 3681 PWs) bands (ev): -24.7401 -24.7401 -24.6934 -24.6934 -12.9187 -12.9187 -12.4436 -12.4436 -8.5191 -8.5191 -8.3289 -8.3289 -8.2734 -8.2734 -8.0948 -8.0948 -8.0490 -8.0490 -8.0307 -8.0307 -0.2599 -0.2599 0.8738 0.8738 1.0360 1.0360 1.9628 1.9628 2.0424 2.0424 2.2956 2.2956 3.4974 3.4974 3.5525 3.5525 3.6832 3.6832 4.7210 4.7210 4.8303 4.8303 7.9479 7.9479 10.2752 10.2752 10.3591 10.3591 k = 0.0000 0.0000 0.5493 ( 3681 PWs) bands (ev): -24.7384 -24.7384 -24.6935 -24.6935 -12.9192 -12.9192 -12.4434 -12.4434 -8.5170 -8.5170 -8.3338 -8.3338 -8.2759 -8.2759 -8.0944 -8.0944 -8.0545 -8.0545 -8.0334 -8.0334 -0.2576 -0.2576 0.8649 0.8649 1.0315 1.0315 1.9490 1.9490 2.0437 2.0437 2.2850 2.2850 3.5001 3.5001 3.5873 3.5873 3.6843 3.6843 4.7172 4.7172 4.8262 4.8262 7.9791 7.9791 10.2185 10.2185 10.3389 10.3389 k = 0.0000 0.0000 0.5713 ( 3669 PWs) bands (ev): -24.7366 -24.7366 -24.6935 -24.6935 -12.9195 -12.9195 -12.4430 -12.4430 -8.5151 -8.5151 -8.3390 -8.3390 -8.2784 -8.2784 -8.0946 -8.0946 -8.0607 -8.0607 -8.0356 -8.0356 -0.2554 -0.2554 0.8570 0.8570 1.0270 1.0270 1.9373 1.9373 2.0449 2.0449 2.2747 2.2747 3.5023 3.5023 3.6227 3.6227 3.6860 3.6860 4.7141 4.7141 4.8223 4.8223 8.0102 8.0102 10.1615 10.1615 10.3175 10.3175 k = 0.0000 0.0000 0.5933 ( 3673 PWs) bands (ev): -24.7349 -24.7349 -24.6936 -24.6936 -12.9196 -12.9196 -12.4423 -12.4423 -8.5135 -8.5135 -8.3444 -8.3444 -8.2807 -8.2807 -8.0956 -8.0956 -8.0676 -8.0676 -8.0377 -8.0377 -0.2533 -0.2533 0.8499 0.8499 1.0227 1.0227 1.9275 1.9275 2.0462 2.0462 2.2644 2.2644 3.5037 3.5037 3.6579 3.6579 3.6887 3.6887 4.7117 4.7117 4.8186 4.8186 8.0412 8.0412 10.1046 10.1046 10.2951 10.2951 k = 0.0000 0.0000 0.6152 ( 3666 PWs) bands (ev): -24.7331 -24.7331 -24.6937 -24.6937 -12.9194 -12.9194 -12.4413 -12.4413 -8.5122 -8.5122 -8.3501 -8.3501 -8.2829 -8.2829 -8.0972 -8.0972 -8.0749 -8.0749 -8.0395 -8.0395 -0.2512 -0.2512 0.8438 0.8438 1.0184 1.0184 1.9198 1.9198 2.0475 2.0475 2.2544 2.2544 3.5046 3.5046 3.6853 3.6853 3.7003 3.7003 4.7099 4.7099 4.8151 4.8151 8.0720 8.0720 10.0480 10.0480 10.2715 10.2715 k = 0.0000 0.0000 0.6372 ( 3668 PWs) bands (ev): -24.7314 -24.7314 -24.6938 -24.6938 -12.9190 -12.9190 -12.4401 -12.4401 -8.5112 -8.5112 -8.3560 -8.3560 -8.2849 -8.2849 -8.0995 -8.0995 -8.0827 -8.0827 -8.0414 -8.0414 -0.2492 -0.2492 0.8388 0.8388 1.0142 1.0142 1.9141 1.9141 2.0488 2.0488 2.2447 2.2447 3.5049 3.5049 3.6912 3.6912 3.7339 3.7339 4.7089 4.7089 4.8118 4.8118 8.1025 8.1025 9.9918 9.9918 10.2469 10.2469 k = 0.0000 0.0000 0.6592 ( 3672 PWs) bands (ev): -24.7296 -24.7296 -24.6939 -24.6939 -12.9184 -12.9184 -12.4386 -12.4386 -8.5105 -8.5105 -8.3622 -8.3622 -8.2866 -8.2866 -8.1024 -8.1024 -8.0907 -8.0907 -8.0434 -8.0434 -0.2474 -0.2474 0.8347 0.8347 1.0101 1.0101 1.9105 1.9105 2.0501 2.0501 2.2352 2.2352 3.5045 3.5045 3.6949 3.6949 3.7705 3.7705 4.7086 4.7086 4.8087 4.8087 8.1327 8.1327 9.9363 9.9363 10.2214 10.2214 k = 0.0000 0.0000 0.6812 ( 3680 PWs) bands (ev): -24.7279 -24.7279 -24.6941 -24.6941 -12.9175 -12.9175 -12.4369 -12.4369 -8.5101 -8.5101 -8.3687 -8.3687 -8.2881 -8.2881 -8.1065 -8.1065 -8.0983 -8.0983 -8.0456 -8.0456 -0.2456 -0.2456 0.8318 0.8318 1.0061 1.0061 1.9088 1.9088 2.0513 2.0513 2.2259 2.2259 3.5037 3.5037 3.6987 3.6987 3.8075 3.8075 4.7089 4.7089 4.8059 4.8059 8.1624 8.1624 9.8817 9.8817 10.1955 10.1955 k = 0.0000 0.0000 0.7031 ( 3684 PWs) bands (ev): -24.7262 -24.7262 -24.6942 -24.6942 -12.9164 -12.9164 -12.4349 -12.4349 -8.5101 -8.5101 -8.3755 -8.3755 -8.2893 -8.2893 -8.1126 -8.1126 -8.1043 -8.1043 -8.0480 -8.0480 -0.2440 -0.2440 0.8299 0.8299 1.0022 1.0022 1.9090 1.9090 2.0526 2.0526 2.2169 2.2169 3.5024 3.5024 3.7027 3.7027 3.8447 3.8447 4.7098 4.7098 4.8034 4.8034 8.1914 8.1914 9.8281 9.8281 10.1694 10.1694 k = 0.0000 0.0000 0.7251 ( 3688 PWs) bands (ev): -24.7245 -24.7245 -24.6943 -24.6943 -12.9151 -12.9151 -12.4326 -12.4326 -8.5104 -8.5104 -8.3826 -8.3826 -8.2902 -8.2902 -8.1206 -8.1206 -8.1087 -8.1087 -8.0508 -8.0508 -0.2425 -0.2425 0.8290 0.8290 0.9985 0.9985 1.9110 1.9110 2.0538 2.0538 2.2083 2.2083 3.5006 3.5006 3.7071 3.7071 3.8820 3.8820 4.7114 4.7114 4.8013 4.8013 8.2197 8.2197 9.7756 9.7756 10.1435 10.1435 k = 0.0000 0.0000 0.7471 ( 3688 PWs) bands (ev): -24.7228 -24.7228 -24.6944 -24.6944 -12.9136 -12.9136 -12.4302 -12.4302 -8.5111 -8.5111 -8.3900 -8.3900 -8.2908 -8.2908 -8.1293 -8.1293 -8.1126 -8.1126 -8.0539 -8.0539 -0.2411 -0.2411 0.8292 0.8292 0.9950 0.9950 1.9148 1.9148 2.0549 2.0549 2.1999 2.1999 3.4985 3.4985 3.7116 3.7116 3.9192 3.9192 4.7134 4.7134 4.7994 4.7994 8.2470 8.2470 9.7244 9.7244 10.1184 10.1184 k = 0.0000 0.0000 0.7690 ( 3686 PWs) bands (ev): -24.7212 -24.7212 -24.6945 -24.6945 -12.9120 -12.9120 -12.4275 -12.4275 -8.5120 -8.5120 -8.3977 -8.3977 -8.2911 -8.2911 -8.1383 -8.1383 -8.1163 -8.1163 -8.0573 -8.0573 -0.2399 -0.2399 0.8303 0.8303 0.9915 0.9915 1.9201 1.9201 2.0560 2.0560 2.1919 2.1919 3.4961 3.4961 3.7164 3.7164 3.9562 3.9562 4.7159 4.7159 4.7980 4.7980 8.2732 8.2732 9.6746 9.6746 10.0947 10.0947 k = 0.0000 0.0000 0.7910 ( 3682 PWs) bands (ev): -24.7196 -24.7196 -24.6946 -24.6946 -12.9101 -12.9101 -12.4246 -12.4246 -8.5133 -8.5133 -8.4058 -8.4058 -8.2911 -8.2911 -8.1473 -8.1473 -8.1200 -8.1200 -8.0611 -8.0611 -0.2387 -0.2387 0.8324 0.8324 0.9883 0.9883 1.9270 1.9270 2.0571 2.0571 2.1842 2.1842 3.4933 3.4933 3.7213 3.7213 3.9929 3.9929 4.7188 4.7188 4.7970 4.7970 8.2978 8.2978 9.6263 9.6263 10.0728 10.0728 k = 0.0000 0.0000 0.8130 ( 3684 PWs) bands (ev): -24.7180 -24.7180 -24.6947 -24.6947 -12.9081 -12.9081 -12.4216 -12.4216 -8.5148 -8.5148 -8.4141 -8.4141 -8.2909 -8.2909 -8.1562 -8.1562 -8.1237 -8.1237 -8.0651 -8.0651 -0.2377 -0.2377 0.8353 0.8353 0.9851 0.9851 1.9352 1.9352 2.0580 2.0580 2.1769 2.1769 3.4904 3.4904 3.7263 3.7263 4.0292 4.0292 4.7219 4.7219 4.7965 4.7965 8.3208 8.3208 9.5796 9.5796 10.0535 10.0535 k = 0.0000 0.0000 0.8350 ( 3684 PWs) bands (ev): -24.7165 -24.7165 -24.6949 -24.6949 -12.9059 -12.9059 -12.4185 -12.4185 -8.5166 -8.5166 -8.4227 -8.4227 -8.2905 -8.2905 -8.1649 -8.1649 -8.1273 -8.1273 -8.0694 -8.0694 -0.2368 -0.2368 0.8389 0.8389 0.9822 0.9822 1.9446 1.9446 2.0589 2.0589 2.1699 2.1699 3.4872 3.4872 3.7314 3.7314 4.0649 4.0649 4.7252 4.7252 4.7965 4.7965 8.3418 8.3418 9.5347 9.5347 10.0374 10.0374 k = 0.0000 0.0000 0.8569 ( 3682 PWs) bands (ev): -24.7150 -24.7150 -24.6950 -24.6950 -12.9036 -12.9036 -12.4152 -12.4152 -8.5186 -8.5186 -8.4315 -8.4315 -8.2900 -8.2900 -8.1733 -8.1733 -8.1309 -8.1309 -8.0739 -8.0739 -0.2360 -0.2360 0.8433 0.8433 0.9794 0.9794 1.9550 1.9550 2.0597 2.0597 2.1633 2.1633 3.4840 3.4840 3.7365 3.7365 4.1000 4.1000 4.7285 4.7285 4.7972 4.7972 8.3606 8.3606 9.4916 9.4916 10.0251 10.0251 k = 0.0000 0.0000 0.8789 ( 3694 PWs) bands (ev): -24.7136 -24.7136 -24.6951 -24.6951 -12.9012 -12.9012 -12.4119 -12.4119 -8.5208 -8.5208 -8.4406 -8.4406 -8.2893 -8.2893 -8.1814 -8.1814 -8.1345 -8.1345 -8.0785 -8.0785 -0.2354 -0.2354 0.8482 0.8482 0.9768 0.9768 1.9663 1.9663 2.0604 2.0604 2.1571 2.1571 3.4806 3.4806 3.7414 3.7414 4.1343 4.1343 4.7316 4.7316 4.7984 4.7984 8.3769 8.3769 9.4503 9.4503 10.0170 10.0170 k = 0.0000 0.0000 0.9009 ( 3698 PWs) bands (ev): -24.7123 -24.7123 -24.6952 -24.6952 -12.8988 -12.8988 -12.4085 -12.4085 -8.5231 -8.5231 -8.4497 -8.4497 -8.2885 -8.2885 -8.1891 -8.1891 -8.1380 -8.1380 -8.0833 -8.0833 -0.2349 -0.2349 0.8536 0.8536 0.9744 0.9744 1.9782 1.9782 2.0609 2.0609 2.1512 2.1512 3.4772 3.4772 3.7464 3.7464 4.1677 4.1677 4.7345 4.7345 4.8004 4.8004 8.3905 8.3905 9.4110 9.4110 10.0137 10.0137 k = 0.0000 0.0000 0.9229 ( 3702 PWs) bands (ev): -24.7110 -24.7110 -24.6953 -24.6953 -12.8963 -12.8963 -12.4051 -12.4051 -8.5254 -8.5254 -8.4589 -8.4589 -8.2877 -8.2877 -8.1964 -8.1964 -8.1413 -8.1413 -8.0880 -8.0880 -0.2344 -0.2344 0.8594 0.8594 0.9722 0.9722 1.9906 1.9906 2.0614 2.0614 2.1457 2.1457 3.4738 3.4738 3.7512 3.7512 4.2000 4.2000 4.7372 4.7372 4.8031 4.8031 8.4014 8.4014 9.3738 9.3738 10.0155 10.0155 k = 0.0000 0.0000 0.9448 ( 3702 PWs) bands (ev): -24.7098 -24.7098 -24.6954 -24.6954 -12.8938 -12.8938 -12.4017 -12.4017 -8.5278 -8.5278 -8.4681 -8.4681 -8.2868 -8.2868 -8.2033 -8.2033 -8.1445 -8.1445 -8.0928 -8.0928 -0.2340 -0.2340 0.8655 0.8655 0.9702 0.9702 2.0033 2.0033 2.0619 2.0619 2.1406 2.1406 3.4705 3.4705 3.7558 3.7558 4.2311 4.2311 4.7395 4.7395 4.8065 4.8065 8.4096 8.4096 9.3386 9.3386 10.0227 10.0227 k = 0.0000 0.0000 0.9668 ( 3698 PWs) bands (ev): -24.7086 -24.7086 -24.6955 -24.6955 -12.8913 -12.8913 -12.3983 -12.3983 -8.5302 -8.5302 -8.4771 -8.4771 -8.2860 -8.2860 -8.2097 -8.2097 -8.1476 -8.1476 -8.0974 -8.0974 -0.2336 -0.2336 0.8718 0.8718 0.9684 0.9684 2.0161 2.0161 2.0622 2.0622 2.1358 2.1358 3.4672 3.4672 3.7603 3.7603 4.2608 4.2608 4.7414 4.7414 4.8105 4.8105 8.4150 8.4150 9.3056 9.3056 10.0353 10.0353 k = 0.0000 0.0000 0.9888 ( 3700 PWs) bands (ev): -24.7076 -24.7076 -24.6956 -24.6956 -12.8889 -12.8889 -12.3951 -12.3951 -8.5326 -8.5326 -8.4860 -8.4860 -8.2851 -8.2851 -8.2156 -8.2156 -8.1505 -8.1505 -8.1019 -8.1019 -0.2333 -0.2333 0.8780 0.8780 0.9668 0.9668 2.0288 2.0288 2.0624 2.0624 2.1315 2.1315 3.4640 3.4640 3.7646 3.7646 4.2891 4.2891 4.7431 4.7431 4.8149 4.8149 8.4179 8.4179 9.2749 9.2749 10.0532 10.0532 k = 0.0000 0.0000 1.0107 ( 3696 PWs) bands (ev): -24.7065 -24.7065 -24.6957 -24.6957 -12.8865 -12.8865 -12.3919 -12.3919 -8.5349 -8.5349 -8.4946 -8.4946 -8.2844 -8.2844 -8.2211 -8.2211 -8.1532 -8.1532 -8.1061 -8.1061 -0.2331 -0.2331 0.8842 0.8842 0.9654 0.9654 2.0413 2.0413 2.0626 2.0626 2.1275 2.1275 3.4609 3.4609 3.7686 3.7686 4.3157 4.3157 4.7444 4.7444 4.8196 4.8196 8.4186 8.4186 9.2464 9.2464 10.0761 10.0761 k = 0.0000 0.0000 1.0327 ( 3696 PWs) bands (ev): -24.7056 -24.7056 -24.6958 -24.6958 -12.8843 -12.8843 -12.3889 -12.3889 -8.5371 -8.5371 -8.5028 -8.5028 -8.2836 -8.2836 -8.2262 -8.2262 -8.1557 -8.1557 -8.1102 -8.1102 -0.2329 -0.2329 0.8902 0.8902 0.9643 0.9643 2.0531 2.0531 2.0628 2.0628 2.1240 2.1240 3.4580 3.4580 3.7724 3.7724 4.3405 4.3405 4.7456 4.7456 4.8245 4.8245 8.4173 8.4173 9.2202 9.2202 10.1036 10.1036 k = 0.0000 0.0000 1.0547 ( 3688 PWs) bands (ev): -24.7048 -24.7048 -24.6958 -24.6958 -12.8821 -12.8821 -12.3861 -12.3861 -8.5392 -8.5392 -8.5105 -8.5105 -8.2830 -8.2830 -8.2307 -8.2307 -8.1580 -8.1580 -8.1139 -8.1139 -0.2327 -0.2327 0.8958 0.8958 0.9634 0.9634 2.0618 2.0618 2.0655 2.0655 2.1209 2.1209 3.4553 3.4553 3.7759 3.7759 4.3634 4.3634 4.7465 4.7465 4.8294 4.8294 8.4145 8.4145 9.1964 9.1964 10.1351 10.1351 k = 0.0000 0.0000 1.0767 ( 3692 PWs) bands (ev): -24.7040 -24.7040 -24.6959 -24.6959 -12.8801 -12.8801 -12.3835 -12.3835 -8.5412 -8.5412 -8.5177 -8.5177 -8.2824 -8.2824 -8.2349 -8.2349 -8.1600 -8.1600 -8.1173 -8.1173 -0.2326 -0.2326 0.9010 0.9010 0.9627 0.9627 2.0624 2.0624 2.0752 2.0752 2.1184 2.1184 3.4528 3.4528 3.7791 3.7791 4.3842 4.3842 4.7473 4.7473 4.8342 4.8342 8.4106 8.4106 9.1750 9.1750 10.1697 10.1697 k = 0.0000 0.0000 1.0986 ( 3690 PWs) bands (ev): -24.7033 -24.7033 -24.6960 -24.6960 -12.8783 -12.8783 -12.3811 -12.3811 -8.5430 -8.5430 -8.5243 -8.5243 -8.2818 -8.2818 -8.2387 -8.2387 -8.1618 -8.1618 -8.1203 -8.1203 -0.2325 -0.2325 0.9057 0.9057 0.9623 0.9623 2.0624 2.0624 2.0844 2.0844 2.1165 2.1165 3.4505 3.4505 3.7819 3.7819 4.4029 4.4029 4.7481 4.7481 4.8388 4.8388 8.4059 8.4059 9.1561 9.1561 10.2065 10.2065 k = 0.0000 0.0000 1.1206 ( 3690 PWs) bands (ev): -24.7027 -24.7027 -24.6960 -24.6960 -12.8766 -12.8766 -12.3790 -12.3790 -8.5445 -8.5445 -8.5301 -8.5301 -8.2813 -8.2813 -8.2420 -8.2420 -8.1634 -8.1634 -8.1230 -8.1230 -0.2325 -0.2325 0.9098 0.9098 0.9621 0.9621 2.0623 2.0623 2.0920 2.0920 2.1154 2.1154 3.4485 3.4485 3.7844 3.7844 4.4193 4.4193 4.7487 4.7487 4.8430 4.8430 8.4009 8.4009 9.1396 9.1396 10.2441 10.2441 k = 0.0000 0.0000 1.1426 ( 3694 PWs) bands (ev): -24.7022 -24.7022 -24.6961 -24.6961 -12.8752 -12.8752 -12.3772 -12.3772 -8.5459 -8.5459 -8.5352 -8.5352 -8.2809 -8.2809 -8.2449 -8.2449 -8.1647 -8.1647 -8.1253 -8.1253 -0.2324 -0.2324 0.9133 0.9133 0.9621 0.9621 2.0622 2.0622 2.0975 2.0975 2.1158 2.1158 3.4468 3.4468 3.7865 3.7865 4.4333 4.4333 4.7492 4.7492 4.8467 4.8467 8.3960 8.3960 9.1256 9.1256 10.2812 10.2812 k = 0.0000 0.0000 1.1646 ( 3686 PWs) bands (ev): -24.7018 -24.7018 -24.6961 -24.6961 -12.8740 -12.8740 -12.3757 -12.3757 -8.5470 -8.5470 -8.5394 -8.5394 -8.2805 -8.2805 -8.2473 -8.2473 -8.1657 -8.1657 -8.1272 -8.1272 -0.2324 -0.2324 0.9161 0.9161 0.9623 0.9623 2.0621 2.0621 2.1004 2.1004 2.1178 2.1178 3.4454 3.4454 3.7883 3.7883 4.4448 4.4448 4.7497 4.7497 4.8499 4.8499 8.3916 8.3916 9.1141 9.1141 10.3159 10.3159 k = 0.0000 0.0000 1.1865 ( 3690 PWs) bands (ev): -24.7015 -24.7015 -24.6962 -24.6962 -12.8731 -12.8731 -12.3745 -12.3745 -8.5478 -8.5478 -8.5429 -8.5429 -8.2801 -8.2801 -8.2493 -8.2493 -8.1665 -8.1665 -8.1287 -8.1287 -0.2324 -0.2324 0.9182 0.9182 0.9625 0.9625 2.0621 2.0621 2.1015 2.1015 2.1206 2.1206 3.4442 3.4442 3.7896 3.7896 4.4539 4.4539 4.7500 4.7500 4.8524 4.8524 8.3878 8.3878 9.1051 9.1051 10.3461 10.3461 k = 0.0000 0.0000 1.2085 ( 3690 PWs) bands (ev): -24.7012 -24.7012 -24.6962 -24.6962 -12.8724 -12.8724 -12.3736 -12.3736 -8.5484 -8.5484 -8.5454 -8.5454 -8.2799 -8.2799 -8.2507 -8.2507 -8.1671 -8.1671 -8.1297 -8.1297 -0.2324 -0.2324 0.9197 0.9197 0.9628 0.9628 2.0620 2.0620 2.1017 2.1017 2.1232 2.1232 3.4434 3.4434 3.7906 3.7906 4.4604 4.4604 4.7503 4.7503 4.8543 4.8543 8.3849 8.3849 9.0987 9.0987 10.3697 10.3697 k = 0.0000 0.0000 1.2305 ( 3690 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8720 -12.8720 -12.3731 -12.3731 -8.5485 -8.5485 -8.5471 -8.5471 -8.2797 -8.2797 -8.2515 -8.2515 -8.1674 -8.1674 -8.1304 -8.1304 -0.2323 -0.2323 0.9206 0.9206 0.9629 0.9629 2.0620 2.0620 2.1017 2.1017 2.1249 2.1249 3.4429 3.4429 3.7912 3.7912 4.4643 4.4643 4.7505 4.7505 4.8554 4.8554 8.3831 8.3831 9.0949 9.0949 10.3846 10.3846 k = 0.0000 0.0000 1.2524 ( 3688 PWs) bands (ev): -24.7010 -24.7010 -24.6962 -24.6962 -12.8719 -12.8719 -12.3729 -12.3729 -8.5483 -8.5483 -8.5479 -8.5479 -8.2797 -8.2797 -8.2518 -8.2518 -8.1675 -8.1675 -8.1306 -8.1306 -0.2323 -0.2323 0.9209 0.9209 0.9630 0.9630 2.0619 2.0619 2.1017 2.1017 2.1256 2.1256 3.4428 3.4428 3.7914 3.7914 4.4656 4.4656 4.7505 4.7505 4.8558 4.8558 8.3825 8.3825 9.0936 9.0936 10.3897 10.3897 k = 0.0000 0.0000 1.2524 ( 3688 PWs) bands (ev): -24.7010 -24.7010 -24.6962 -24.6962 -12.8719 -12.8719 -12.3729 -12.3729 -8.5483 -8.5483 -8.5479 -8.5479 -8.2797 -8.2797 -8.2518 -8.2518 -8.1675 -8.1675 -8.1306 -8.1306 -0.2323 -0.2323 0.9209 0.9209 0.9630 0.9630 2.0619 2.0619 2.1017 2.1017 2.1256 2.1256 3.4428 3.4428 3.7914 3.7914 4.4656 4.4656 4.7505 4.7505 4.8558 4.8558 8.3825 8.3825 9.0936 9.0936 10.3897 10.3897 k =-0.0079 0.0181 1.2524 ( 3684 PWs) bands (ev): -24.7010 -24.7010 -24.6962 -24.6962 -12.8720 -12.8720 -12.3730 -12.3730 -8.5480 -8.5480 -8.5478 -8.5478 -8.2796 -8.2796 -8.2515 -8.2515 -8.1674 -8.1674 -8.1305 -8.1305 -0.2323 -0.2323 0.9208 0.9208 0.9628 0.9628 2.0619 2.0619 2.1012 2.1012 2.1256 2.1256 3.4429 3.4429 3.7912 3.7912 4.4645 4.4645 4.7502 4.7502 4.8558 4.8558 8.3837 8.3837 9.0919 9.0919 10.3927 10.3927 k =-0.0158 0.0363 1.2524 ( 3678 PWs) bands (ev): -24.7010 -24.7010 -24.6964 -24.6964 -12.8724 -12.8724 -12.3734 -12.3734 -8.5474 -8.5474 -8.5467 -8.5467 -8.2796 -8.2796 -8.2506 -8.2506 -8.1672 -8.1672 -8.1303 -8.1303 -0.2323 -0.2323 0.9207 0.9207 0.9622 0.9622 2.0616 2.0616 2.0996 2.0996 2.1257 2.1257 3.4433 3.4433 3.7908 3.7908 4.4614 4.4614 4.7494 4.7494 4.8558 4.8558 8.3871 8.3871 9.0868 9.0868 10.4012 10.4012 k =-0.0237 0.0544 1.2524 ( 3682 PWs) bands (ev): -24.7010 -24.7010 -24.6965 -24.6965 -12.8730 -12.8730 -12.3741 -12.3741 -8.5468 -8.5468 -8.5448 -8.5448 -8.2795 -8.2795 -8.2491 -8.2491 -8.1669 -8.1669 -8.1301 -8.1301 -0.2323 -0.2323 0.9204 0.9204 0.9612 0.9612 2.0611 2.0611 2.0969 2.0969 2.1260 2.1260 3.4440 3.4440 3.7899 3.7899 4.4561 4.4561 4.7479 4.7479 4.8557 4.8557 8.3929 8.3929 9.0785 9.0785 10.4135 10.4135 k =-0.0316 0.0726 1.2524 ( 3678 PWs) bands (ev): -24.7010 -24.7010 -24.6968 -24.6968 -12.8738 -12.8738 -12.3750 -12.3750 -8.5459 -8.5459 -8.5421 -8.5421 -8.2793 -8.2793 -8.2470 -8.2470 -8.1664 -8.1664 -8.1296 -8.1296 -0.2323 -0.2323 0.9200 0.9200 0.9599 0.9599 2.0605 2.0605 2.0930 2.0930 2.1265 2.1265 3.4449 3.4449 3.7888 3.7888 4.4487 4.4487 4.7458 4.7458 4.8556 4.8556 8.4011 8.4011 9.0674 9.0674 10.4222 10.4222 k =-0.0395 0.0907 1.2524 ( 3686 PWs) bands (ev): -24.7010 -24.7010 -24.6971 -24.6971 -12.8750 -12.8750 -12.3761 -12.3761 -8.5448 -8.5448 -8.5387 -8.5387 -8.2789 -8.2789 -8.2446 -8.2446 -8.1659 -8.1659 -8.1290 -8.1290 -0.2324 -0.2324 0.9193 0.9193 0.9583 0.9583 2.0597 2.0597 2.0880 2.0880 2.1273 2.1273 3.4461 3.4461 3.7872 3.7872 4.4391 4.4391 4.7432 4.7432 4.8555 4.8555 8.4115 8.4115 9.0538 9.0538 10.4269 10.4269 k =-0.0474 0.1089 1.2524 ( 3686 PWs) bands (ev): -24.7009 -24.7009 -24.6976 -24.6976 -12.8763 -12.8763 -12.3775 -12.3775 -8.5435 -8.5435 -8.5347 -8.5347 -8.2784 -8.2784 -8.2417 -8.2417 -8.1653 -8.1653 -8.1281 -8.1281 -0.2324 -0.2324 0.9184 0.9184 0.9567 0.9567 2.0587 2.0587 2.0819 2.0819 2.1285 2.1285 3.4475 3.4475 3.7854 3.7854 4.4276 4.4276 4.7402 4.7402 4.8554 4.8554 8.4242 8.4242 9.0382 9.0382 10.4313 10.4313 k =-0.0474 0.1089 1.2524 ( 3686 PWs) bands (ev): -24.7009 -24.7009 -24.6976 -24.6976 -12.8763 -12.8763 -12.3775 -12.3775 -8.5435 -8.5435 -8.5347 -8.5347 -8.2784 -8.2784 -8.2417 -8.2417 -8.1653 -8.1653 -8.1281 -8.1281 -0.2324 -0.2324 0.9184 0.9184 0.9567 0.9567 2.0587 2.0587 2.0819 2.0819 2.1285 2.1285 3.4475 3.4475 3.7854 3.7854 4.4276 4.4276 4.7402 4.7402 4.8554 4.8554 8.4242 8.4242 9.0382 9.0382 10.4313 10.4313 k =-0.0537 0.1233 1.2367 ( 3690 PWs) bands (ev): -24.7009 -24.7009 -24.6979 -24.6979 -12.8776 -12.8776 -12.3788 -12.3788 -8.5421 -8.5421 -8.5309 -8.5309 -8.2778 -8.2778 -8.2391 -8.2391 -8.1647 -8.1647 -8.1272 -8.1272 -0.2324 -0.2324 0.9171 0.9171 0.9553 0.9553 2.0578 2.0578 2.0762 2.0762 2.1295 2.1295 3.4489 3.4489 3.7836 3.7836 4.4164 4.4164 4.7374 4.7374 4.8552 4.8552 8.4358 8.4358 9.0259 9.0259 10.4352 10.4352 k =-0.0600 0.1377 1.2210 ( 3696 PWs) bands (ev): -24.7010 -24.7010 -24.6983 -24.6983 -12.8791 -12.8791 -12.3804 -12.3804 -8.5400 -8.5400 -8.5267 -8.5267 -8.2770 -8.2770 -8.2360 -8.2360 -8.1640 -8.1640 -8.1259 -8.1259 -0.2324 -0.2324 0.9152 0.9152 0.9540 0.9540 2.0567 2.0567 2.0695 2.0695 2.1305 2.1305 3.4505 3.4505 3.7813 3.7813 4.4028 4.4028 4.7343 4.7343 4.8545 4.8545 8.4477 8.4477 9.0156 9.0156 10.4398 10.4398 k =-0.0663 0.1522 1.2052 ( 3696 PWs) bands (ev): -24.7010 -24.7010 -24.6988 -24.6988 -12.8809 -12.8809 -12.3823 -12.3823 -8.5374 -8.5374 -8.5219 -8.5219 -8.2760 -8.2760 -8.2326 -8.2326 -8.1631 -8.1631 -8.1242 -8.1242 -0.2324 -0.2324 0.9126 0.9126 0.9528 0.9528 2.0552 2.0552 2.0620 2.0620 2.1317 2.1317 3.4525 3.4525 3.7786 3.7786 4.3871 4.3871 4.7309 4.7309 4.8535 4.8535 8.4591 8.4591 9.0084 9.0084 10.4451 10.4451 k =-0.0725 0.1666 1.1895 ( 3696 PWs) bands (ev): -24.7011 -24.7011 -24.6993 -24.6993 -12.8830 -12.8830 -12.3845 -12.3845 -8.5342 -8.5342 -8.5167 -8.5167 -8.2749 -8.2749 -8.2289 -8.2289 -8.1620 -8.1620 -8.1222 -8.1222 -0.2324 -0.2324 0.9093 0.9093 0.9518 0.9518 2.0511 2.0511 2.0561 2.0561 2.1329 2.1329 3.4547 3.4547 3.7753 3.7753 4.3695 4.3695 4.7273 4.7273 4.8523 4.8523 8.4687 8.4687 9.0056 9.0056 10.4510 10.4510 k =-0.0788 0.1810 1.1737 ( 3700 PWs) bands (ev): -24.7013 -24.7013 -24.6998 -24.6998 -12.8853 -12.8853 -12.3870 -12.3870 -8.5305 -8.5305 -8.5112 -8.5112 -8.2735 -8.2735 -8.2249 -8.2249 -8.1608 -8.1608 -8.1198 -8.1198 -0.2324 -0.2324 0.9051 0.9051 0.9510 0.9510 2.0420 2.0420 2.0541 2.0541 2.1344 2.1344 3.4570 3.4570 3.7714 3.7714 4.3501 4.3501 4.7234 4.7234 4.8507 4.8507 8.4752 8.4752 9.0085 9.0085 10.4573 10.4573 k =-0.0851 0.1955 1.1580 ( 3704 PWs) bands (ev): -24.7015 -24.7015 -24.7003 -24.7003 -12.8878 -12.8878 -12.3897 -12.3897 -8.5262 -8.5262 -8.5053 -8.5053 -8.2718 -8.2718 -8.2206 -8.2206 -8.1593 -8.1593 -8.1171 -8.1171 -0.2324 -0.2324 0.9002 0.9002 0.9504 0.9504 2.0312 2.0312 2.0527 2.0527 2.1361 2.1361 3.4596 3.4596 3.7669 3.7669 4.3294 4.3294 4.7193 4.7193 4.8488 4.8488 8.4776 8.4776 9.0181 9.0181 10.4640 10.4640 k =-0.0914 0.2099 1.1422 ( 3702 PWs) bands (ev): -24.7017 -24.7017 -24.7009 -24.7009 -12.8905 -12.8905 -12.3927 -12.3927 -8.5215 -8.5215 -8.4992 -8.4992 -8.2699 -8.2699 -8.2162 -8.2162 -8.1576 -8.1576 -8.1140 -8.1140 -0.2324 -0.2324 0.8946 0.8946 0.9500 0.9500 2.0193 2.0193 2.0513 2.0513 2.1381 2.1381 3.4623 3.4623 3.7618 3.7618 4.3075 4.3075 4.7151 4.7151 4.8467 4.8467 8.4752 8.4752 9.0350 9.0350 10.4709 10.4709 k =-0.0977 0.2244 1.1265 ( 3700 PWs) bands (ev): -24.7019 -24.7019 -24.7015 -24.7015 -12.8934 -12.8934 -12.3958 -12.3958 -8.5164 -8.5164 -8.4929 -8.4929 -8.2677 -8.2677 -8.2116 -8.2116 -8.1556 -8.1556 -8.1107 -8.1107 -0.2323 -0.2323 0.8884 0.8884 0.9498 0.9498 2.0065 2.0065 2.0498 2.0498 2.1404 2.1404 3.4651 3.4651 3.7559 3.7559 4.2847 4.2847 4.7106 4.7106 4.8444 4.8444 8.4677 8.4677 9.0594 9.0594 10.4778 10.4778 k =-0.1040 0.2388 1.1107 ( 3694 PWs) bands (ev): -24.7022 -24.7022 -24.7021 -24.7021 -12.8964 -12.8964 -12.3991 -12.3991 -8.5109 -8.5109 -8.4864 -8.4864 -8.2653 -8.2653 -8.2069 -8.2069 -8.1533 -8.1533 -8.1071 -8.1071 -0.2323 -0.2323 0.8815 0.8815 0.9498 0.9498 1.9928 1.9928 2.0484 2.0484 2.1429 2.1429 3.4679 3.4679 3.7492 3.7492 4.2615 4.2615 4.7060 4.7060 4.8420 4.8420 8.4554 8.4554 9.0908 9.0908 10.4846 10.4846 k =-0.1103 0.2532 1.0950 ( 3695 PWs) bands (ev): -24.7028 -24.7028 -24.7025 -24.7025 -12.8996 -12.8996 -12.4026 -12.4026 -8.5051 -8.5051 -8.4798 -8.4798 -8.2626 -8.2626 -8.2022 -8.2022 -8.1507 -8.1507 -8.1033 -8.1033 -0.2322 -0.2322 0.8741 0.8741 0.9499 0.9499 1.9784 1.9784 2.0469 2.0469 2.1458 2.1458 3.4707 3.4707 3.7417 3.7417 4.2380 4.2380 4.7012 4.7012 4.8394 4.8394 8.4390 8.4390 9.1285 9.1285 10.4911 10.4911 k =-0.1165 0.2677 1.0792 ( 3699 PWs) bands (ev): -24.7034 -24.7034 -24.7029 -24.7029 -12.9030 -12.9030 -12.4063 -12.4063 -8.4991 -8.4991 -8.4732 -8.4732 -8.2596 -8.2596 -8.1975 -8.1975 -8.1478 -8.1478 -8.0993 -8.0993 -0.2322 -0.2322 0.8662 0.8662 0.9500 0.9500 1.9634 1.9634 2.0454 2.0454 2.1490 2.1490 3.4734 3.4734 3.7332 3.7332 4.2146 4.2146 4.6963 4.6963 4.8366 4.8366 8.4192 8.4192 9.1715 9.1715 10.4970 10.4970 k =-0.1228 0.2821 1.0635 ( 3701 PWs) bands (ev): -24.7041 -24.7041 -24.7032 -24.7032 -12.9064 -12.9064 -12.4100 -12.4100 -8.4929 -8.4929 -8.4666 -8.4666 -8.2564 -8.2564 -8.1927 -8.1927 -8.1445 -8.1445 -8.0952 -8.0952 -0.2321 -0.2321 0.8579 0.8579 0.9503 0.9503 1.9478 1.9478 2.0438 2.0438 2.1524 2.1524 3.4760 3.4760 3.7238 3.7238 4.1917 4.1917 4.6912 4.6912 4.8338 4.8338 8.3968 8.3968 9.2189 9.2189 10.5018 10.5018 k =-0.1291 0.2965 1.0477 ( 3701 PWs) bands (ev): -24.7048 -24.7048 -24.7036 -24.7036 -12.9099 -12.9099 -12.4138 -12.4138 -8.4865 -8.4865 -8.4601 -8.4601 -8.2528 -8.2528 -8.1880 -8.1880 -8.1408 -8.1408 -8.0909 -8.0909 -0.2320 -0.2320 0.8492 0.8492 0.9507 0.9507 1.9317 1.9317 2.0423 2.0423 2.1562 2.1562 3.4782 3.4782 3.7135 3.7135 4.1695 4.1695 4.6860 4.6860 4.8310 4.8310 8.3725 8.3725 9.2698 9.2698 10.4999 10.4999 k =-0.1354 0.3110 1.0320 ( 3697 PWs) bands (ev): -24.7055 -24.7055 -24.7040 -24.7040 -12.9135 -12.9135 -12.4177 -12.4177 -8.4801 -8.4801 -8.4537 -8.4537 -8.2489 -8.2489 -8.1834 -8.1834 -8.1367 -8.1367 -8.0865 -8.0865 -0.2319 -0.2319 0.8403 0.8403 0.9512 0.9512 1.9153 1.9153 2.0407 2.0407 2.1602 2.1602 3.4801 3.4801 3.7024 3.7024 4.1482 4.1482 4.6808 4.6808 4.8281 4.8281 8.3468 8.3468 9.3234 9.3234 10.4903 10.4903 k =-0.1417 0.3254 1.0163 ( 3693 PWs) bands (ev): -24.7062 -24.7062 -24.7043 -24.7043 -12.9171 -12.9171 -12.4217 -12.4217 -8.4737 -8.4737 -8.4475 -8.4475 -8.2448 -8.2448 -8.1787 -8.1787 -8.1324 -8.1324 -8.0821 -8.0821 -0.2318 -0.2318 0.8311 0.8311 0.9517 0.9517 1.8987 1.8987 2.0390 2.0390 2.1645 2.1645 3.4814 3.4814 3.6905 3.6905 4.1282 4.1282 4.6755 4.6755 4.8252 4.8252 8.3202 8.3202 9.3787 9.3787 10.4802 10.4802 k =-0.1480 0.3398 1.0005 ( 3686 PWs) bands (ev): -24.7068 -24.7068 -24.7047 -24.7047 -12.9207 -12.9207 -12.4256 -12.4256 -8.4673 -8.4673 -8.4415 -8.4415 -8.2403 -8.2403 -8.1742 -8.1742 -8.1277 -8.1277 -8.0776 -8.0776 -0.2317 -0.2317 0.8217 0.8217 0.9523 0.9523 1.8819 1.8819 2.0374 2.0374 2.1691 2.1691 3.4819 3.4819 3.6781 3.6781 4.1095 4.1095 4.6701 4.6701 4.8224 4.8224 8.2932 8.2932 9.4352 9.4352 10.4708 10.4708 k =-0.1543 0.3543 0.9848 ( 3680 PWs) bands (ev): -24.7075 -24.7075 -24.7051 -24.7051 -12.9243 -12.9243 -12.4296 -12.4296 -8.4611 -8.4611 -8.4357 -8.4357 -8.2356 -8.2356 -8.1696 -8.1696 -8.1228 -8.1228 -8.0732 -8.0732 -0.2315 -0.2315 0.8122 0.8122 0.9529 0.9529 1.8651 1.8651 2.0358 2.0358 2.1740 2.1740 3.4814 3.4814 3.6655 3.6655 4.0922 4.0922 4.6648 4.6648 4.8196 4.8196 8.2661 8.2661 9.4922 9.4922 10.4623 10.4623 k =-0.1605 0.3687 0.9690 ( 3682 PWs) bands (ev): -24.7082 -24.7082 -24.7056 -24.7056 -12.9279 -12.9279 -12.4335 -12.4335 -8.4552 -8.4552 -8.4303 -8.4303 -8.2306 -8.2306 -8.1652 -8.1652 -8.1179 -8.1179 -8.0688 -8.0688 -0.2314 -0.2314 0.8027 0.8027 0.9535 0.9535 1.8483 1.8483 2.0342 2.0342 2.1790 2.1790 3.4796 3.4796 3.6530 3.6530 4.0765 4.0765 4.6594 4.6594 4.8168 4.8168 8.2392 8.2392 9.5488 9.5488 10.4550 10.4550 k =-0.1668 0.3832 0.9533 ( 3682 PWs) bands (ev): -24.7088 -24.7088 -24.7060 -24.7060 -12.9314 -12.9314 -12.4374 -12.4374 -8.4495 -8.4495 -8.4251 -8.4251 -8.2253 -8.2253 -8.1608 -8.1608 -8.1128 -8.1128 -8.0645 -8.0645 -0.2312 -0.2312 0.7932 0.7932 0.9542 0.9542 1.8317 1.8317 2.0326 2.0326 2.1843 2.1843 3.4762 3.4762 3.6411 3.6411 4.0622 4.0622 4.6541 4.6541 4.8142 4.8142 8.2128 8.2128 9.6046 9.6046 10.4492 10.4492 k =-0.1731 0.3976 0.9375 ( 3680 PWs) bands (ev): -24.7095 -24.7095 -24.7064 -24.7064 -12.9349 -12.9349 -12.4411 -12.4411 -8.4441 -8.4441 -8.4202 -8.4202 -8.2198 -8.2198 -8.1564 -8.1564 -8.1077 -8.1077 -8.0603 -8.0603 -0.2310 -0.2310 0.7837 0.7837 0.9549 0.9549 1.8154 1.8154 2.0311 2.0311 2.1897 2.1897 3.4708 3.4708 3.6304 3.6304 4.0495 4.0495 4.6488 4.6488 4.8116 4.8116 8.1871 8.1871 9.6588 9.6588 10.4450 10.4450 k =-0.1794 0.4120 0.9218 ( 3682 PWs) bands (ev): -24.7101 -24.7101 -24.7068 -24.7068 -12.9383 -12.9383 -12.4448 -12.4448 -8.4390 -8.4390 -8.4156 -8.4156 -8.2141 -8.2141 -8.1521 -8.1521 -8.1026 -8.1026 -8.0563 -8.0563 -0.2308 -0.2308 0.7744 0.7744 0.9556 0.9556 1.7995 1.7995 2.0295 2.0295 2.1953 2.1953 3.4633 3.4633 3.6212 3.6212 4.0381 4.0381 4.6437 4.6437 4.8092 4.8092 8.1621 8.1621 9.7107 9.7107 10.4426 10.4426 k =-0.1857 0.4265 0.9060 ( 3682 PWs) bands (ev): -24.7107 -24.7107 -24.7072 -24.7072 -12.9415 -12.9415 -12.4484 -12.4484 -8.4343 -8.4343 -8.4114 -8.4114 -8.2081 -8.2081 -8.1480 -8.1480 -8.0976 -8.0976 -8.0524 -8.0524 -0.2307 -0.2307 0.7654 0.7654 0.9563 0.9563 1.7841 1.7841 2.0281 2.0281 2.2009 2.2009 3.4537 3.4537 3.6138 3.6138 4.0280 4.0280 4.6387 4.6387 4.8068 4.8068 8.1382 8.1382 9.7597 9.7597 10.4424 10.4424 k =-0.1920 0.4409 0.8903 ( 3679 PWs) bands (ev): -24.7113 -24.7113 -24.7075 -24.7075 -12.9447 -12.9447 -12.4517 -12.4517 -8.4301 -8.4301 -8.4074 -8.4074 -8.2021 -8.2021 -8.1440 -8.1440 -8.0928 -8.0928 -8.0486 -8.0486 -0.2305 -0.2305 0.7566 0.7566 0.9570 0.9570 1.7692 1.7692 2.0266 2.0266 2.2066 2.2066 3.4421 3.4421 3.6082 3.6082 4.0192 4.0192 4.6339 4.6339 4.8046 4.8046 8.1154 8.1154 9.8052 9.8052 10.4444 10.4444 k =-0.1983 0.4553 0.8745 ( 3669 PWs) bands (ev): -24.7118 -24.7118 -24.7079 -24.7079 -12.9476 -12.9476 -12.4550 -12.4550 -8.4262 -8.4262 -8.4038 -8.4038 -8.1958 -8.1958 -8.1403 -8.1403 -8.0882 -8.0882 -8.0450 -8.0450 -0.2303 -0.2303 0.7482 0.7482 0.9578 0.9578 1.7550 1.7550 2.0253 2.0253 2.2123 2.2123 3.4291 3.4291 3.6042 3.6042 4.0115 4.0115 4.6293 4.6293 4.8026 4.8026 8.0939 8.0939 9.8466 9.8466 10.4489 10.4489 k =-0.2046 0.4698 0.8588 ( 3667 PWs) bands (ev): -24.7123 -24.7123 -24.7082 -24.7082 -12.9504 -12.9504 -12.4580 -12.4580 -8.4227 -8.4227 -8.4005 -8.4005 -8.1896 -8.1896 -8.1368 -8.1368 -8.0839 -8.0839 -8.0417 -8.0417 -0.2301 -0.2301 0.7402 0.7402 0.9584 0.9584 1.7416 1.7416 2.0240 2.0240 2.2179 2.2179 3.4151 3.4151 3.6016 3.6016 4.0048 4.0048 4.6249 4.6249 4.8007 4.8007 8.0738 8.0738 9.8836 9.8836 10.4557 10.4557 k =-0.2108 0.4842 0.8430 ( 3676 PWs) bands (ev): -24.7128 -24.7128 -24.7086 -24.7086 -12.9530 -12.9530 -12.4609 -12.4609 -8.4196 -8.4196 -8.3975 -8.3975 -8.1833 -8.1833 -8.1337 -8.1337 -8.0798 -8.0798 -8.0386 -8.0386 -0.2299 -0.2299 0.7326 0.7326 0.9591 0.9591 1.7290 1.7290 2.0227 2.0227 2.2234 2.2234 3.4005 3.4005 3.5999 3.5999 3.9989 3.9989 4.6208 4.6208 4.7989 4.7989 8.0551 8.0551 9.9158 9.9158 10.4648 10.4648 k =-0.2171 0.4987 0.8273 ( 3676 PWs) bands (ev): -24.7132 -24.7132 -24.7089 -24.7089 -12.9554 -12.9554 -12.4635 -12.4635 -8.4169 -8.4169 -8.3949 -8.3949 -8.1771 -8.1771 -8.1310 -8.1310 -8.0761 -8.0761 -8.0357 -8.0357 -0.2298 -0.2298 0.7256 0.7256 0.9597 0.9597 1.7174 1.7174 2.0216 2.0216 2.2286 2.2286 3.3861 3.3861 3.5991 3.5991 3.9939 3.9939 4.6170 4.6170 4.7973 4.7973 8.0380 8.0380 9.9432 9.9432 10.4757 10.4757 k =-0.2234 0.5131 0.8116 ( 3680 PWs) bands (ev): -24.7136 -24.7136 -24.7092 -24.7092 -12.9576 -12.9576 -12.4659 -12.4659 -8.4145 -8.4145 -8.3925 -8.3925 -8.1711 -8.1711 -8.1288 -8.1288 -8.0726 -8.0726 -8.0330 -8.0330 -0.2296 -0.2296 0.7192 0.7192 0.9603 0.9603 1.7068 1.7068 2.0206 2.0206 2.2336 2.2336 3.3721 3.3721 3.5988 3.5988 3.9896 3.9896 4.6135 4.6135 4.7958 4.7958 8.0224 8.0224 9.9661 9.9661 10.4807 10.4807 k =-0.2297 0.5275 0.7958 ( 3680 PWs) bands (ev): -24.7140 -24.7140 -24.7094 -24.7094 -12.9596 -12.9596 -12.4680 -12.4680 -8.4125 -8.4125 -8.3905 -8.3905 -8.1651 -8.1651 -8.1270 -8.1270 -8.0696 -8.0696 -8.0306 -8.0306 -0.2295 -0.2295 0.7134 0.7134 0.9608 0.9608 1.6973 1.6973 2.0196 2.0196 2.2382 2.2382 3.3589 3.3589 3.5988 3.5988 3.9859 3.9859 4.6103 4.6103 4.7946 4.7946 8.0086 8.0086 9.9846 9.9846 10.4760 10.4760 k =-0.2360 0.5420 0.7801 ( 3677 PWs) bands (ev): -24.7143 -24.7143 -24.7096 -24.7096 -12.9613 -12.9613 -12.4699 -12.4699 -8.4107 -8.4107 -8.3887 -8.3887 -8.1595 -8.1595 -8.1259 -8.1259 -8.0669 -8.0669 -8.0285 -8.0285 -0.2293 -0.2293 0.7083 0.7083 0.9613 0.9613 1.6889 1.6889 2.0188 2.0188 2.2424 2.2424 3.3469 3.3469 3.5991 3.5991 3.9829 3.9829 4.6076 4.6076 4.7935 4.7935 7.9965 7.9965 9.9993 9.9993 10.4715 10.4715 k =-0.2423 0.5564 0.7643 ( 3675 PWs) bands (ev): -24.7146 -24.7146 -24.7098 -24.7098 -12.9628 -12.9628 -12.4715 -12.4715 -8.4093 -8.4093 -8.3872 -8.3872 -8.1541 -8.1541 -8.1253 -8.1253 -8.0646 -8.0646 -8.0267 -8.0267 -0.2292 -0.2292 0.7039 0.7039 0.9617 0.9617 1.6817 1.6817 2.0181 2.0181 2.2461 2.2461 3.3364 3.3364 3.5995 3.5995 3.9804 3.9804 4.6052 4.6052 4.7925 4.7925 7.9862 7.9862 10.0108 10.0108 10.4675 10.4675 k =-0.2486 0.5708 0.7486 ( 3670 PWs) bands (ev): -24.7148 -24.7148 -24.7100 -24.7100 -12.9641 -12.9641 -12.4728 -12.4728 -8.4082 -8.4082 -8.3860 -8.3860 -8.1491 -8.1491 -8.1253 -8.1253 -8.0626 -8.0626 -8.0252 -8.0252 -0.2291 -0.2291 0.7002 0.7002 0.9620 0.9620 1.6757 1.6757 2.0175 2.0175 2.2493 2.2493 3.3275 3.3275 3.5999 3.5999 3.9784 3.9784 4.6032 4.6032 4.7917 4.7917 7.9777 7.9777 10.0194 10.0194 10.4642 10.4642 k =-0.2548 0.5853 0.7328 ( 3670 PWs) bands (ev): -24.7150 -24.7150 -24.7101 -24.7101 -12.9650 -12.9650 -12.4739 -12.4739 -8.4073 -8.4073 -8.3851 -8.3851 -8.1446 -8.1446 -8.1259 -8.1259 -8.0611 -8.0611 -8.0240 -8.0240 -0.2290 -0.2290 0.6974 0.6974 0.9623 0.9623 1.6710 1.6710 2.0170 2.0170 2.2518 2.2518 3.3203 3.3203 3.6003 3.6003 3.9769 3.9769 4.6016 4.6016 4.7912 4.7912 7.9711 7.9711 10.0256 10.0256 10.4614 10.4614 k =-0.2611 0.5997 0.7171 ( 3668 PWs) bands (ev): -24.7151 -24.7151 -24.7102 -24.7102 -12.9657 -12.9657 -12.4746 -12.4746 -8.4067 -8.4067 -8.3844 -8.3844 -8.1406 -8.1406 -8.1269 -8.1269 -8.0601 -8.0601 -8.0231 -8.0231 -0.2290 -0.2290 0.6953 0.6953 0.9625 0.9625 1.6677 1.6677 2.0167 2.0167 2.2536 2.2536 3.3151 3.3151 3.6006 3.6006 3.9758 3.9758 4.6005 4.6005 4.7907 4.7907 7.9664 7.9664 10.0298 10.0298 10.4594 10.4594 k =-0.2674 0.6141 0.7013 ( 3674 PWs) bands (ev): -24.7152 -24.7152 -24.7102 -24.7102 -12.9661 -12.9661 -12.4751 -12.4751 -8.4063 -8.4063 -8.3841 -8.3841 -8.1376 -8.1376 -8.1283 -8.1283 -8.0594 -8.0594 -8.0226 -8.0226 -0.2289 -0.2289 0.6940 0.6940 0.9626 0.9626 1.6657 1.6657 2.0165 2.0165 2.2547 2.2547 3.3120 3.3120 3.6007 3.6007 3.9752 3.9752 4.5998 4.5998 4.7905 4.7905 7.9635 7.9635 10.0322 10.0322 10.4582 10.4582 k =-0.2737 0.6286 0.6856 ( 3668 PWs) bands (ev): -24.7152 -24.7152 -24.7103 -24.7103 -12.9663 -12.9663 -12.4752 -12.4752 -8.4062 -8.4062 -8.3839 -8.3839 -8.1363 -8.1363 -8.1290 -8.1290 -8.0592 -8.0592 -8.0224 -8.0224 -0.2289 -0.2289 0.6936 0.6936 0.9627 0.9627 1.6650 1.6650 2.0164 2.0164 2.2551 2.2551 3.3110 3.3110 3.6008 3.6008 3.9750 3.9750 4.5996 4.5996 4.7904 4.7904 7.9625 7.9625 10.0330 10.0330 10.4578 10.4578 k =-0.2737 0.6286 0.6856 ( 3668 PWs) bands (ev): -24.7152 -24.7152 -24.7103 -24.7103 -12.9663 -12.9663 -12.4752 -12.4752 -8.4062 -8.4062 -8.3839 -8.3839 -8.1363 -8.1363 -8.1290 -8.1290 -8.0592 -8.0592 -8.0224 -8.0224 -0.2289 -0.2289 0.6936 0.6936 0.9627 0.9627 1.6650 1.6650 2.0164 2.0164 2.2551 2.2551 3.3110 3.3110 3.6008 3.6008 3.9750 3.9750 4.5996 4.5996 4.7904 4.7904 7.9625 7.9625 10.0330 10.0330 10.4578 10.4578 k =-0.2675 0.6143 0.6700 ( 3668 PWs) bands (ev): -24.7137 -24.7137 -24.7114 -24.7114 -12.9662 -12.9662 -12.4766 -12.4766 -8.4100 -8.4100 -8.3807 -8.3807 -8.1346 -8.1346 -8.1292 -8.1292 -8.0570 -8.0570 -8.0246 -8.0246 -0.2294 -0.2294 0.6914 0.6914 0.9618 0.9618 1.6582 1.6582 2.0184 2.0184 2.2520 2.2520 3.3129 3.3129 3.6009 3.6009 3.9847 3.9847 4.5972 4.5972 4.7888 4.7888 7.9371 7.9371 10.0226 10.0226 10.4850 10.4850 k =-0.2613 0.6000 0.6544 ( 3670 PWs) bands (ev): -24.7126 -24.7126 -24.7123 -24.7123 -12.9660 -12.9660 -12.4778 -12.4778 -8.4145 -8.4145 -8.3768 -8.3768 -8.1361 -8.1361 -8.1265 -8.1265 -8.0549 -8.0549 -8.0267 -8.0267 -0.2299 -0.2299 0.6903 0.6903 0.9614 0.9614 1.6533 1.6533 2.0202 2.0202 2.2496 2.2496 3.3145 3.3145 3.6010 3.6010 3.9920 3.9920 4.5955 4.5955 4.7875 4.7875 7.9154 7.9154 10.0103 10.0103 10.5085 10.5085 k =-0.2550 0.5857 0.6388 ( 3662 PWs) bands (ev): -24.7138 -24.7138 -24.7109 -24.7109 -12.9656 -12.9656 -12.4787 -12.4787 -8.4193 -8.4193 -8.3727 -8.3727 -8.1387 -8.1387 -8.1230 -8.1230 -8.0527 -8.0527 -8.0288 -8.0288 -0.2307 -0.2307 0.6904 0.6904 0.9614 0.9614 1.6503 1.6503 2.0219 2.0219 2.2480 2.2480 3.3159 3.3159 3.6012 3.6012 3.9969 3.9969 4.5946 4.5946 4.7866 4.7866 7.8977 7.8977 9.9961 9.9961 10.5286 10.5286 k =-0.2488 0.5714 0.6233 ( 3670 PWs) bands (ev): -24.7151 -24.7151 -24.7096 -24.7096 -12.9650 -12.9650 -12.4794 -12.4794 -8.4243 -8.4243 -8.3685 -8.3685 -8.1418 -8.1418 -8.1194 -8.1194 -8.0505 -8.0505 -8.0308 -8.0308 -0.2316 -0.2316 0.6916 0.6916 0.9618 0.9618 1.6492 1.6492 2.0235 2.0235 2.2470 2.2470 3.3170 3.3170 3.6014 3.6014 3.9991 3.9991 4.5942 4.5942 4.7861 4.7861 7.8837 7.8837 9.9801 9.9801 10.5454 10.5454 k =-0.2426 0.5572 0.6077 ( 3672 PWs) bands (ev): -24.7165 -24.7165 -24.7083 -24.7083 -12.9642 -12.9642 -12.4798 -12.4798 -8.4295 -8.4295 -8.3642 -8.3642 -8.1450 -8.1450 -8.1159 -8.1159 -8.0486 -8.0486 -8.0326 -8.0326 -0.2327 -0.2327 0.6940 0.6940 0.9627 0.9627 1.6500 1.6500 2.0250 2.0250 2.2468 2.2468 3.3178 3.3178 3.6016 3.6016 3.9988 3.9988 4.5945 4.5945 4.7859 4.7859 7.8733 7.8733 9.9628 9.9628 10.5592 10.5592 k =-0.2364 0.5429 0.5921 ( 3682 PWs) bands (ev): -24.7179 -24.7179 -24.7071 -24.7071 -12.9633 -12.9633 -12.4801 -12.4801 -8.4348 -8.4348 -8.3600 -8.3600 -8.1484 -8.1484 -8.1126 -8.1126 -8.0469 -8.0469 -8.0340 -8.0340 -0.2339 -0.2339 0.6975 0.6975 0.9639 0.9639 1.6527 1.6527 2.0264 2.0264 2.2473 2.2473 3.3184 3.3184 3.6020 3.6020 3.9958 3.9958 4.5955 4.5955 4.7860 4.7860 7.8664 7.8664 9.9446 9.9446 10.5702 10.5702 k =-0.2302 0.5286 0.5765 ( 3668 PWs) bands (ev): -24.7193 -24.7193 -24.7059 -24.7059 -12.9621 -12.9621 -12.4801 -12.4801 -8.4400 -8.4400 -8.3558 -8.3558 -8.1519 -8.1519 -8.1095 -8.1095 -8.0458 -8.0458 -8.0348 -8.0348 -0.2352 -0.2352 0.7022 0.7022 0.9656 0.9656 1.6573 1.6573 2.0277 2.0277 2.2485 2.2485 3.3188 3.3188 3.6024 3.6024 3.9904 3.9904 4.5973 4.5973 4.7867 4.7867 7.8626 7.8626 9.9258 9.9258 10.5784 10.5784 k =-0.2239 0.5143 0.5609 ( 3662 PWs) bands (ev): -24.7207 -24.7207 -24.7048 -24.7048 -12.9608 -12.9608 -12.4798 -12.4798 -8.4454 -8.4454 -8.3516 -8.3516 -8.1555 -8.1555 -8.1067 -8.1067 -8.0453 -8.0453 -8.0347 -8.0347 -0.2367 -0.2367 0.7079 0.7079 0.9676 0.9676 1.6638 1.6638 2.0288 2.0288 2.2505 2.2505 3.3189 3.3189 3.6029 3.6029 3.9824 3.9824 4.5997 4.5997 4.7876 4.7876 7.8614 7.8614 9.9073 9.9073 10.5841 10.5841 k =-0.2177 0.5000 0.5454 ( 3672 PWs) bands (ev): -24.7223 -24.7223 -24.7038 -24.7038 -12.9594 -12.9594 -12.4793 -12.4793 -8.4507 -8.4507 -8.3475 -8.3475 -8.1592 -8.1592 -8.1043 -8.1043 -8.0455 -8.0455 -8.0338 -8.0338 -0.2384 -0.2384 0.7147 0.7147 0.9701 0.9701 1.6722 1.6722 2.0299 2.0299 2.2531 2.2531 3.3187 3.3187 3.6033 3.6033 3.9721 3.9721 4.6027 4.6027 4.7889 4.7889 7.8626 7.8626 9.8894 9.8894 10.5873 10.5873 k =-0.2115 0.4857 0.5298 ( 3672 PWs) bands (ev): -24.7238 -24.7238 -24.7028 -24.7028 -12.9577 -12.9577 -12.4786 -12.4786 -8.4560 -8.4560 -8.3435 -8.3435 -8.1630 -8.1630 -8.1024 -8.1024 -8.0459 -8.0459 -8.0323 -8.0323 -0.2401 -0.2401 0.7225 0.7225 0.9729 0.9729 1.6823 1.6823 2.0308 2.0308 2.2564 2.2564 3.3183 3.3183 3.6038 3.6038 3.9595 3.9595 4.6064 4.6064 4.7905 4.7905 7.8655 7.8655 9.8730 9.8730 10.5882 10.5882 k =-0.2053 0.4714 0.5142 ( 3670 PWs) bands (ev): -24.7254 -24.7254 -24.7018 -24.7018 -12.9559 -12.9559 -12.4777 -12.4777 -8.4613 -8.4613 -8.3396 -8.3396 -8.1668 -8.1668 -8.1009 -8.1009 -8.0461 -8.0461 -8.0307 -8.0307 -0.2420 -0.2420 0.7312 0.7312 0.9761 0.9761 1.6943 1.6943 2.0316 2.0316 2.2604 2.2604 3.3176 3.3176 3.6042 3.6042 3.9449 3.9449 4.6108 4.6108 4.7925 4.7925 7.8695 7.8695 9.8587 9.8587 10.5866 10.5866 k =-0.1991 0.4572 0.4986 ( 3674 PWs) bands (ev): -24.7270 -24.7270 -24.7010 -24.7010 -12.9540 -12.9540 -12.4766 -12.4766 -8.4666 -8.4666 -8.3358 -8.3358 -8.1707 -8.1707 -8.1001 -8.1001 -8.0461 -8.0461 -8.0289 -8.0289 -0.2439 -0.2439 0.7409 0.7409 0.9796 0.9796 1.7080 1.7080 2.0323 2.0323 2.2650 2.2650 3.3165 3.3165 3.6046 3.6046 3.9285 3.9285 4.6158 4.6158 4.7948 4.7948 7.8742 7.8742 9.8470 9.8470 10.5826 10.5826 k =-0.1928 0.4429 0.4830 ( 3682 PWs) bands (ev): -24.7287 -24.7287 -24.7001 -24.7001 -12.9519 -12.9519 -12.4753 -12.4753 -8.4718 -8.4718 -8.3321 -8.3321 -8.1746 -8.1746 -8.0999 -8.0999 -8.0456 -8.0456 -8.0271 -8.0271 -0.2459 -0.2459 0.7514 0.7514 0.9834 0.9834 1.7235 1.7235 2.0329 2.0329 2.2702 2.2702 3.3152 3.3152 3.6049 3.6049 3.9106 3.9106 4.6215 4.6215 4.7974 4.7974 7.8788 7.8788 9.8387 9.8387 10.5762 10.5762 k =-0.1866 0.4286 0.4674 ( 3678 PWs) bands (ev): -24.7303 -24.7303 -24.6993 -24.6993 -12.9497 -12.9497 -12.4738 -12.4738 -8.4770 -8.4770 -8.3285 -8.3285 -8.1786 -8.1786 -8.1003 -8.1003 -8.0446 -8.0446 -8.0253 -8.0253 -0.2480 -0.2480 0.7628 0.7628 0.9875 0.9875 1.7405 1.7405 2.0334 2.0334 2.2760 2.2760 3.3136 3.3136 3.6050 3.6050 3.8913 3.8913 4.6278 4.6278 4.8004 4.8004 7.8827 7.8827 9.8344 9.8344 10.5672 10.5672 k =-0.1804 0.4143 0.4519 ( 3682 PWs) bands (ev): -24.7320 -24.7320 -24.6986 -24.6986 -12.9474 -12.9474 -12.4721 -12.4721 -8.4820 -8.4820 -8.3251 -8.3251 -8.1825 -8.1825 -8.1012 -8.1012 -8.0433 -8.0433 -8.0236 -8.0236 -0.2502 -0.2502 0.7749 0.7749 0.9920 0.9920 1.7592 1.7592 2.0339 2.0339 2.2824 2.2824 3.3115 3.3115 3.6048 3.6048 3.8710 3.8710 4.6347 4.6347 4.8036 4.8036 7.8853 7.8853 9.8345 9.8345 10.5557 10.5557 k =-0.1742 0.4000 0.4363 ( 3682 PWs) bands (ev): -24.7337 -24.7337 -24.6979 -24.6979 -12.9449 -12.9449 -12.4703 -12.4703 -8.4870 -8.4870 -8.3218 -8.3218 -8.1864 -8.1864 -8.1027 -8.1027 -8.0415 -8.0415 -8.0220 -8.0220 -0.2524 -0.2524 0.7876 0.7876 0.9967 0.9967 1.7794 1.7794 2.0342 2.0342 2.2892 2.2892 3.3091 3.3091 3.6043 3.6043 3.8500 3.8500 4.6422 4.6422 4.8071 4.8071 7.8862 7.8862 9.8394 9.8394 10.5414 10.5414 k =-0.1680 0.3857 0.4207 ( 3682 PWs) bands (ev): -24.7354 -24.7354 -24.6973 -24.6973 -12.9424 -12.9424 -12.4683 -12.4683 -8.4919 -8.4919 -8.3186 -8.3186 -8.1903 -8.1903 -8.1045 -8.1045 -8.0395 -8.0395 -8.0204 -8.0204 -0.2546 -0.2546 0.8010 0.8010 1.0016 1.0016 1.8010 1.8010 2.0344 2.0344 2.2966 2.2966 3.3062 3.3062 3.6033 3.6033 3.8288 3.8288 4.6503 4.6503 4.8109 4.8109 7.8848 7.8848 9.8496 9.8496 10.5244 10.5244 k =-0.1617 0.3714 0.4051 ( 3682 PWs) bands (ev): -24.7371 -24.7371 -24.6968 -24.6968 -12.9398 -12.9398 -12.4662 -12.4662 -8.4967 -8.4967 -8.3155 -8.3155 -8.1942 -8.1942 -8.1066 -8.1066 -8.0372 -8.0372 -8.0188 -8.0188 -0.2569 -0.2569 0.8148 0.8148 1.0067 1.0067 1.8241 1.8241 2.0346 2.0346 2.3043 2.3043 3.3028 3.3028 3.6015 3.6015 3.8077 3.8077 4.6588 4.6588 4.8149 4.8149 7.8807 7.8807 9.8651 9.8651 10.5045 10.5045 k =-0.1555 0.3572 0.3895 ( 3676 PWs) bands (ev): -24.7387 -24.7387 -24.6962 -24.6962 -12.9371 -12.9371 -12.4640 -12.4640 -8.5014 -8.5014 -8.3125 -8.3125 -8.1981 -8.1981 -8.1090 -8.1090 -8.0347 -8.0347 -8.0174 -8.0174 -0.2592 -0.2592 0.8291 0.8291 1.0120 1.0120 1.8484 1.8484 2.0346 2.0346 2.3124 2.3124 3.2989 3.2989 3.5987 3.5987 3.7873 3.7873 4.6678 4.6678 4.8192 4.8192 7.8739 7.8739 9.8861 9.8861 10.4817 10.4817 k =-0.1493 0.3429 0.3740 ( 3680 PWs) bands (ev): -24.7404 -24.7404 -24.6958 -24.6958 -12.9344 -12.9344 -12.4617 -12.4617 -8.5059 -8.5059 -8.3097 -8.3097 -8.2019 -8.2019 -8.1115 -8.1115 -8.0322 -8.0322 -8.0160 -8.0160 -0.2614 -0.2614 0.8438 0.8438 1.0174 1.0174 1.8739 1.8739 2.0346 2.0346 2.3208 2.3208 3.2943 3.2943 3.5945 3.5945 3.7680 3.7680 4.6772 4.6772 4.8237 4.8237 7.8640 7.8640 9.9123 9.9123 10.4560 10.4560 k =-0.1431 0.3286 0.3584 ( 3688 PWs) bands (ev): -24.7421 -24.7421 -24.6954 -24.6954 -12.9317 -12.9317 -12.4593 -12.4593 -8.5103 -8.5103 -8.3071 -8.3071 -8.2056 -8.2056 -8.1142 -8.1142 -8.0296 -8.0296 -8.0147 -8.0147 -0.2637 -0.2637 0.8587 0.8587 1.0230 1.0230 1.9005 1.9005 2.0345 2.0345 2.3295 2.3295 3.2889 3.2889 3.5887 3.5887 3.7506 3.7506 4.6870 4.6870 4.8283 4.8283 7.8512 7.8512 9.9436 9.9436 10.4276 10.4276 k =-0.1368 0.3143 0.3428 ( 3686 PWs) bands (ev): -24.7437 -24.7437 -24.6950 -24.6950 -12.9289 -12.9289 -12.4568 -12.4568 -8.5146 -8.5146 -8.3045 -8.3045 -8.2093 -8.2093 -8.1170 -8.1170 -8.0270 -8.0270 -8.0134 -8.0134 -0.2660 -0.2660 0.8738 0.8738 1.0286 1.0286 1.9282 1.9282 2.0344 2.0344 2.3385 2.3385 3.2828 3.2828 3.5809 3.5809 3.7355 3.7355 4.6971 4.6971 4.8332 4.8332 7.8356 7.8356 9.9795 9.9795 10.3966 10.3966 k =-0.1306 0.3000 0.3272 ( 3694 PWs) bands (ev): -24.7453 -24.7453 -24.6946 -24.6946 -12.9261 -12.9261 -12.4543 -12.4543 -8.5187 -8.5187 -8.3020 -8.3020 -8.2130 -8.2130 -8.1198 -8.1198 -8.0244 -8.0244 -8.0122 -8.0122 -0.2682 -0.2682 0.8890 0.8890 1.0343 1.0343 1.9567 1.9567 2.0342 2.0342 2.3476 2.3476 3.2758 3.2758 3.5710 3.5710 3.7230 3.7230 4.7075 4.7075 4.8382 4.8382 7.8174 7.8174 10.0195 10.0195 10.3632 10.3632 k =-0.1244 0.2857 0.3116 ( 3698 PWs) bands (ev): -24.7469 -24.7469 -24.6943 -24.6943 -12.9233 -12.9233 -12.4517 -12.4517 -8.5227 -8.5227 -8.2997 -8.2997 -8.2165 -8.2165 -8.1225 -8.1225 -8.0219 -8.0219 -8.0110 -8.0110 -0.2704 -0.2704 0.9042 0.9042 1.0401 1.0401 1.9860 1.9860 2.0339 2.0339 2.3567 2.3567 3.2676 3.2676 3.5592 3.5592 3.7133 3.7133 4.7181 4.7181 4.8433 4.8433 7.7968 7.7968 10.0630 10.0630 10.3277 10.3277 k =-0.1182 0.2714 0.2960 ( 3702 PWs) bands (ev): -24.7484 -24.7484 -24.6941 -24.6941 -12.9206 -12.9206 -12.4492 -12.4492 -8.5265 -8.5265 -8.2975 -8.2975 -8.2200 -8.2200 -8.1253 -8.1253 -8.0196 -8.0196 -8.0098 -8.0098 -0.2726 -0.2726 0.9192 0.9192 1.0459 1.0459 2.0160 2.0160 2.0337 2.0337 2.3660 2.3660 3.2583 3.2583 3.5460 3.5460 3.7061 3.7061 4.7287 4.7287 4.8486 4.8486 7.7743 7.7743 10.1094 10.1094 10.2905 10.2905 k =-0.1120 0.2571 0.2805 ( 3692 PWs) bands (ev): -24.7499 -24.7499 -24.6938 -24.6938 -12.9179 -12.9179 -12.4466 -12.4466 -8.5301 -8.5301 -8.2954 -8.2954 -8.2233 -8.2233 -8.1280 -8.1280 -8.0173 -8.0173 -8.0086 -8.0086 -0.2747 -0.2747 0.9341 0.9341 1.0517 1.0517 2.0332 2.0332 2.0467 2.0467 2.3752 2.3752 3.2478 3.2478 3.5320 3.5320 3.7011 3.7011 4.7395 4.7395 4.8540 4.8540 7.7501 7.7501 10.1577 10.1577 10.2520 10.2520 k =-0.1057 0.2429 0.2649 ( 3688 PWs) bands (ev): -24.7514 -24.7514 -24.6936 -24.6936 -12.9152 -12.9152 -12.4440 -12.4440 -8.5336 -8.5336 -8.2934 -8.2934 -8.2266 -8.2266 -8.1306 -8.1306 -8.0153 -8.0153 -8.0074 -8.0074 -0.2767 -0.2767 0.9488 0.9488 1.0575 1.0575 2.0329 2.0329 2.0777 2.0777 2.3844 2.3844 3.2359 3.2359 3.5178 3.5178 3.6978 3.6978 4.7501 4.7501 4.8594 4.8594 7.7246 7.7246 10.2065 10.2065 10.2132 10.2132 k =-0.0995 0.2286 0.2493 ( 3680 PWs) bands (ev): -24.7527 -24.7527 -24.6934 -24.6934 -12.9126 -12.9126 -12.4415 -12.4415 -8.5368 -8.5368 -8.2914 -8.2914 -8.2298 -8.2298 -8.1331 -8.1331 -8.0135 -8.0135 -8.0061 -8.0061 -0.2786 -0.2786 0.9630 0.9630 1.0632 1.0632 2.0325 2.0325 2.1089 2.1089 2.3934 2.3934 3.2227 3.2227 3.5039 3.5039 3.6957 3.6957 4.7607 4.7607 4.8649 4.8649 7.6983 7.6983 10.1725 10.1725 10.2572 10.2572 k =-0.0933 0.2143 0.2337 ( 3672 PWs) bands (ev): -24.7541 -24.7541 -24.6933 -24.6933 -12.9101 -12.9101 -12.4391 -12.4391 -8.5399 -8.5399 -8.2896 -8.2896 -8.2329 -8.2329 -8.1356 -8.1356 -8.0120 -8.0120 -8.0047 -8.0047 -0.2805 -0.2805 0.9767 0.9767 1.0689 1.0689 2.0321 2.0321 2.1403 2.1403 2.4022 2.4022 3.2080 3.2080 3.4908 3.4908 3.6946 3.6946 4.7710 4.7710 4.8704 4.8704 7.6715 7.6715 10.1326 10.1326 10.3065 10.3065 k =-0.0871 0.2000 0.2181 ( 3672 PWs) bands (ev): -24.7553 -24.7553 -24.6931 -24.6931 -12.9076 -12.9076 -12.4367 -12.4367 -8.5429 -8.5429 -8.2878 -8.2878 -8.2358 -8.2358 -8.1379 -8.1379 -8.0107 -8.0107 -8.0032 -8.0032 -0.2822 -0.2822 0.9898 0.9898 1.0745 1.0745 2.0317 2.0317 2.1717 2.1717 2.4108 2.4108 3.1921 3.1921 3.4786 3.4786 3.6940 3.6940 4.7810 4.7810 4.8760 4.8760 7.6446 7.6446 10.0931 10.0931 10.3545 10.3545 k =-0.0809 0.1857 0.2026 ( 3688 PWs) bands (ev): -24.7566 -24.7566 -24.6931 -24.6931 -12.9053 -12.9053 -12.4344 -12.4344 -8.5456 -8.5456 -8.2861 -8.2861 -8.2388 -8.2388 -8.1402 -8.1402 -8.0097 -8.0097 -8.0016 -8.0016 -0.2839 -0.2839 1.0021 1.0021 1.0801 1.0801 2.0312 2.0312 2.2029 2.2029 2.4192 2.4192 3.1750 3.1750 3.4675 3.4675 3.6939 3.6939 4.7905 4.7905 4.8815 4.8815 7.6180 7.6180 10.0545 10.0545 10.4004 10.4004 k =-0.0746 0.1714 0.1870 ( 3689 PWs) bands (ev): -24.7577 -24.7577 -24.6930 -24.6930 -12.9031 -12.9031 -12.4322 -12.4322 -8.5481 -8.5481 -8.2845 -8.2845 -8.2415 -8.2415 -8.1422 -8.1422 -8.0088 -8.0088 -8.0001 -8.0001 -0.2856 -0.2856 1.0138 1.0138 1.0855 1.0855 2.0308 2.0308 2.2338 2.2338 2.4271 2.4271 3.1569 3.1569 3.4578 3.4578 3.6942 3.6942 4.7996 4.7996 4.8870 4.8870 7.5919 7.5919 10.0173 10.0173 10.4432 10.4432 k =-0.0684 0.1571 0.1714 ( 3693 PWs) bands (ev): -24.7588 -24.7588 -24.6929 -24.6929 -12.9011 -12.9011 -12.4302 -12.4302 -8.5505 -8.5505 -8.2830 -8.2830 -8.2442 -8.2442 -8.1442 -8.1442 -8.0081 -8.0081 -7.9986 -7.9986 -0.2871 -0.2871 1.0245 1.0245 1.0909 1.0909 2.0304 2.0304 2.2640 2.2640 2.4348 2.4348 3.1382 3.1382 3.4491 3.4491 3.6948 3.6948 4.8081 4.8081 4.8923 4.8923 7.5668 7.5668 9.9816 9.9816 10.4825 10.4825 k =-0.0622 0.1429 0.1558 ( 3699 PWs) bands (ev): -24.7598 -24.7598 -24.6928 -24.6928 -12.8991 -12.8991 -12.4282 -12.4282 -8.5526 -8.5526 -8.2815 -8.2815 -8.2467 -8.2467 -8.1460 -8.1460 -8.0075 -8.0075 -7.9972 -7.9972 -0.2885 -0.2885 1.0343 1.0343 1.0961 1.0961 2.0300 2.0300 2.2935 2.2935 2.4419 2.4419 3.1190 3.1190 3.4416 3.4416 3.6954 3.6954 4.8160 4.8160 4.8976 4.8976 7.5428 7.5428 9.9480 9.9480 10.5177 10.5177 k =-0.0560 0.1286 0.1402 ( 3691 PWs) bands (ev): -24.7607 -24.7607 -24.6928 -24.6928 -12.8974 -12.8974 -12.4264 -12.4264 -8.5546 -8.5546 -8.2800 -8.2800 -8.2491 -8.2491 -8.1476 -8.1476 -8.0071 -8.0071 -7.9958 -7.9958 -0.2897 -0.2897 1.0431 1.0431 1.1012 1.1012 2.0296 2.0296 2.3218 2.3218 2.4487 2.4487 3.0997 3.0997 3.4352 3.4352 3.6962 3.6962 4.8233 4.8233 4.9027 4.9027 7.5203 7.5203 9.9167 9.9167 10.5484 10.5484 k =-0.0498 0.1143 0.1247 ( 3693 PWs) bands (ev): -24.7615 -24.7615 -24.6928 -24.6928 -12.8957 -12.8957 -12.4248 -12.4248 -8.5563 -8.5563 -8.2785 -8.2785 -8.2515 -8.2515 -8.1491 -8.1491 -8.0066 -8.0066 -7.9946 -7.9946 -0.2909 -0.2909 1.0508 1.0508 1.1061 1.1061 2.0292 2.0292 2.3488 2.3488 2.4550 2.4550 3.0806 3.0806 3.4297 3.4297 3.6970 3.6970 4.8298 4.8298 4.9076 4.9076 7.4995 7.4995 9.8880 9.8880 10.5746 10.5746 k =-0.0435 0.1000 0.1091 ( 3695 PWs) bands (ev): -24.7622 -24.7622 -24.6927 -24.6927 -12.8943 -12.8943 -12.4233 -12.4233 -8.5579 -8.5579 -8.2771 -8.2771 -8.2537 -8.2537 -8.1504 -8.1504 -8.0063 -8.0063 -7.9935 -7.9935 -0.2919 -0.2919 1.0576 1.0576 1.1107 1.1107 2.0289 2.0289 2.3741 2.3741 2.4608 2.4608 3.0621 3.0621 3.4250 3.4250 3.6977 3.6977 4.8355 4.8355 4.9121 4.9121 7.4806 7.4806 9.8621 9.8621 10.5964 10.5964 k =-0.0373 0.0857 0.0935 ( 3699 PWs) bands (ev): -24.7629 -24.7629 -24.6927 -24.6927 -12.8930 -12.8930 -12.4220 -12.4220 -8.5592 -8.5592 -8.2757 -8.2757 -8.2559 -8.2559 -8.1516 -8.1516 -8.0060 -8.0060 -7.9925 -7.9925 -0.2928 -0.2928 1.0632 1.0632 1.1150 1.1150 2.0286 2.0286 2.3971 2.3971 2.4663 2.4663 3.0445 3.0445 3.4211 3.4211 3.6984 3.6984 4.8405 4.8405 4.9163 4.9163 7.4638 7.4638 9.8393 9.8393 10.6141 10.6141 k =-0.0311 0.0714 0.0779 ( 3707 PWs) bands (ev): -24.7634 -24.7634 -24.6927 -24.6927 -12.8919 -12.8919 -12.4209 -12.4209 -8.5603 -8.5603 -8.2742 -8.2742 -8.2579 -8.2579 -8.1526 -8.1526 -8.0058 -8.0058 -7.9917 -7.9917 -0.2935 -0.2935 1.0679 1.0679 1.1189 1.1189 2.0283 2.0283 2.4173 2.4173 2.4715 2.4715 3.0284 3.0284 3.4179 3.4179 3.6990 3.6990 4.8447 4.8447 4.9199 4.9199 7.4493 7.4493 9.8196 9.8196 10.6280 10.6280 k =-0.0249 0.0571 0.0623 ( 3703 PWs) bands (ev): -24.7639 -24.7639 -24.6927 -24.6927 -12.8910 -12.8910 -12.4200 -12.4200 -8.5612 -8.5612 -8.2728 -8.2728 -8.2598 -8.2598 -8.1533 -8.1533 -8.0056 -8.0056 -7.9910 -7.9910 -0.2941 -0.2941 1.0717 1.0717 1.1222 1.1222 2.0281 2.0281 2.4340 2.4340 2.4767 2.4767 3.0142 3.0142 3.4154 3.4154 3.6995 3.6995 4.8481 4.8481 4.9230 4.9230 7.4373 7.4373 9.8034 9.8034 10.6385 10.6385 k =-0.0187 0.0429 0.0467 ( 3701 PWs) bands (ev): -24.7642 -24.7642 -24.6927 -24.6927 -12.8903 -12.8903 -12.4193 -12.4193 -8.5619 -8.5619 -8.2713 -8.2713 -8.2617 -8.2617 -8.1540 -8.1540 -8.0055 -8.0055 -7.9905 -7.9905 -0.2946 -0.2946 1.0745 1.0745 1.1249 1.1249 2.0279 2.0279 2.4466 2.4466 2.4819 2.4819 3.0024 3.0024 3.4135 3.4135 3.7000 3.7000 4.8508 4.8508 4.9256 4.9256 7.4278 7.4278 9.7906 9.7906 10.6462 10.6462 k =-0.0124 0.0286 0.0312 ( 3705 PWs) bands (ev): -24.7645 -24.7645 -24.6927 -24.6927 -12.8898 -12.8898 -12.4188 -12.4188 -8.5625 -8.5625 -8.2699 -8.2699 -8.2634 -8.2634 -8.1544 -8.1544 -8.0054 -8.0054 -7.9901 -7.9901 -0.2950 -0.2950 1.0766 1.0766 1.1268 1.1268 2.0278 2.0278 2.4548 2.4548 2.4868 2.4868 2.9935 2.9935 3.4121 3.4121 3.7003 3.7003 4.8526 4.8526 4.9274 4.9274 7.4210 7.4210 9.7814 9.7814 10.6514 10.6514 k =-0.0062 0.0143 0.0156 ( 3707 PWs) bands (ev): -24.7646 -24.7646 -24.6927 -24.6927 -12.8895 -12.8895 -12.4185 -12.4185 -8.5628 -8.5628 -8.2684 -8.2684 -8.2651 -8.2651 -8.1547 -8.1547 -8.0054 -8.0054 -7.9898 -7.9898 -0.2952 -0.2952 1.0777 1.0777 1.1280 1.1280 2.0277 2.0277 2.4593 2.4593 2.4904 2.4904 2.9879 2.9879 3.4113 3.4113 3.7005 3.7005 4.8538 4.8538 4.9285 4.9285 7.4168 7.4168 9.7759 9.7759 10.6544 10.6544 k = 0.0000 0.0000 0.0000 ( 3711 PWs) bands (ev): -24.7647 -24.7647 -24.6927 -24.6927 -12.8894 -12.8894 -12.4183 -12.4183 -8.5629 -8.5629 -8.2670 -8.2670 -8.2665 -8.2665 -8.1548 -8.1548 -8.0054 -8.0054 -7.9898 -7.9898 -0.2953 -0.2953 1.0781 1.0781 1.1284 1.1284 2.0277 2.0277 2.4606 2.4606 2.4918 2.4918 2.9860 2.9860 3.4110 3.4110 3.7005 3.7005 4.8541 4.8541 4.9289 4.9289 7.4154 7.4154 9.7741 9.7741 10.6554 10.6554 k = 0.0000 0.0000 0.0000 ( 3711 PWs) bands (ev): -24.7647 -24.7647 -24.6927 -24.6927 -12.8894 -12.8894 -12.4183 -12.4183 -8.5629 -8.5629 -8.2670 -8.2670 -8.2665 -8.2665 -8.1548 -8.1548 -8.0054 -8.0054 -7.9898 -7.9898 -0.2953 -0.2953 1.0781 1.0781 1.1284 1.1284 2.0277 2.0277 2.4606 2.4606 2.4918 2.4918 2.9860 2.9860 3.4110 3.4110 3.7005 3.7005 4.8541 4.8541 4.9289 4.9289 7.4154 7.4154 9.7741 9.7741 10.6554 10.6554 k = 0.0200 0.0087-0.0000 ( 3703 PWs) bands (ev): -24.7647 -24.7647 -24.6927 -24.6927 -12.8896 -12.8896 -12.4182 -12.4182 -8.5626 -8.5626 -8.2683 -8.2683 -8.2652 -8.2652 -8.1548 -8.1548 -8.0053 -8.0053 -7.9900 -7.9900 -0.2951 -0.2951 1.0781 1.0781 1.1284 1.1284 2.0269 2.0269 2.4607 2.4607 2.4919 2.4919 2.9858 2.9858 3.4110 3.4110 3.7005 3.7005 4.8543 4.8543 4.9290 4.9290 7.4184 7.4184 9.7732 9.7732 10.6395 10.6395 k = 0.0400 0.0174-0.0000 ( 3699 PWs) bands (ev): -24.7646 -24.7646 -24.6927 -24.6927 -12.8900 -12.8900 -12.4178 -12.4178 -8.5618 -8.5618 -8.2699 -8.2699 -8.2637 -8.2637 -8.1549 -8.1549 -8.0052 -8.0052 -7.9906 -7.9906 -0.2943 -0.2943 1.0778 1.0778 1.1281 1.1281 2.0246 2.0246 2.4610 2.4610 2.4922 2.4922 2.9850 2.9850 3.4110 3.4110 3.7005 3.7005 4.8546 4.8546 4.9293 4.9293 7.4271 7.4271 9.7706 9.7706 10.5977 10.5977 k = 0.0600 0.0261-0.0000 ( 3715 PWs) bands (ev): -24.7645 -24.7645 -24.6929 -24.6929 -12.8906 -12.8906 -12.4172 -12.4172 -8.5605 -8.5605 -8.2715 -8.2715 -8.2622 -8.2622 -8.1550 -8.1550 -8.0051 -8.0051 -7.9918 -7.9918 -0.2933 -0.2933 1.0774 1.0774 1.1277 1.1277 2.0208 2.0208 2.4615 2.4615 2.4927 2.4927 2.9835 2.9835 3.4109 3.4109 3.7005 3.7005 4.8551 4.8551 4.9298 4.9298 7.4416 7.4416 9.7664 9.7664 10.5398 10.5398 k = 0.0800 0.0348-0.0000 ( 3707 PWs) bands (ev): -24.7644 -24.7644 -24.6930 -24.6930 -12.8915 -12.8915 -12.4163 -12.4163 -8.5587 -8.5587 -8.2730 -8.2730 -8.2607 -8.2607 -8.1552 -8.1552 -8.0049 -8.0049 -7.9933 -7.9933 -0.2919 -0.2919 1.0769 1.0769 1.1272 1.1272 2.0157 2.0157 2.4621 2.4621 2.4934 2.4934 2.9815 2.9815 3.4109 3.4109 3.7005 3.7005 4.8558 4.8558 4.9305 4.9305 7.4617 7.4617 9.7607 9.7607 10.4732 10.4732 k = 0.1000 0.0435-0.0000 ( 3715 PWs) bands (ev): -24.7642 -24.7642 -24.6932 -24.6932 -12.8927 -12.8927 -12.4152 -12.4152 -8.5564 -8.5564 -8.2746 -8.2746 -8.2593 -8.2593 -8.1555 -8.1555 -8.0046 -8.0046 -7.9952 -7.9952 -0.2901 -0.2901 1.0762 1.0762 1.1265 1.1265 2.0095 2.0095 2.4629 2.4629 2.4943 2.4943 2.9789 2.9789 3.4108 3.4108 3.7005 3.7005 4.8567 4.8567 4.9313 4.9313 7.4873 7.4873 9.7536 9.7536 10.4017 10.4017 k = 0.1200 0.0523-0.0000 ( 3715 PWs) bands (ev): -24.7640 -24.7640 -24.6934 -24.6934 -12.8940 -12.8940 -12.4139 -12.4139 -8.5537 -8.5537 -8.2762 -8.2762 -8.2579 -8.2579 -8.1558 -8.1558 -8.0043 -8.0043 -7.9975 -7.9975 -0.2881 -0.2881 1.0755 1.0755 1.1256 1.1256 2.0024 2.0024 2.4638 2.4638 2.4953 2.4953 2.9755 2.9755 3.4107 3.4107 3.7005 3.7005 4.8578 4.8578 4.9324 4.9324 7.5183 7.5183 9.7454 9.7454 10.3272 10.3272 k = 0.1400 0.0610-0.0000 ( 3715 PWs) bands (ev): -24.7638 -24.7638 -24.6936 -24.6936 -12.8956 -12.8956 -12.4124 -12.4124 -8.5505 -8.5505 -8.2778 -8.2778 -8.2565 -8.2565 -8.1561 -8.1561 -8.0039 -8.0039 -8.0001 -8.0001 -0.2858 -0.2858 1.0746 1.0746 1.1247 1.1247 1.9947 1.9947 2.4649 2.4649 2.4965 2.4965 2.9713 2.9713 3.4106 3.4106 3.7005 3.7005 4.8590 4.8590 4.9336 4.9336 7.5545 7.5545 9.7363 9.7363 10.2509 10.2509 k = 0.1600 0.0697-0.0000 ( 3715 PWs) bands (ev): -24.7635 -24.7635 -24.6939 -24.6939 -12.8973 -12.8973 -12.4108 -12.4108 -8.5470 -8.5470 -8.2794 -8.2794 -8.2551 -8.2551 -8.1565 -8.1565 -8.0036 -8.0036 -8.0030 -8.0030 -0.2834 -0.2834 1.0736 1.0736 1.1237 1.1237 1.9865 1.9865 2.4661 2.4661 2.4978 2.4978 2.9663 2.9663 3.4105 3.4105 3.7005 3.7005 4.8604 4.8604 4.9349 4.9349 7.5956 7.5956 9.7264 9.7264 10.1734 10.1734 k = 0.1800 0.0784-0.0000 ( 3711 PWs) bands (ev): -24.7632 -24.7632 -24.6941 -24.6941 -12.8991 -12.8991 -12.4090 -12.4090 -8.5432 -8.5432 -8.2809 -8.2809 -8.2538 -8.2538 -8.1569 -8.1569 -8.0062 -8.0062 -8.0031 -8.0031 -0.2810 -0.2810 1.0726 1.0726 1.1226 1.1226 1.9783 1.9783 2.4674 2.4674 2.4992 2.4992 2.9605 2.9605 3.4104 3.4104 3.7006 3.7006 4.8619 4.8619 4.9364 4.9364 7.6413 7.6413 9.7160 9.7160 10.0951 10.0951 k = 0.2000 0.0871-0.0000 ( 3707 PWs) bands (ev): -24.7629 -24.7629 -24.6944 -24.6944 -12.9010 -12.9010 -12.4071 -12.4071 -8.5392 -8.5392 -8.2825 -8.2825 -8.2525 -8.2525 -8.1573 -8.1573 -8.0095 -8.0095 -8.0027 -8.0027 -0.2785 -0.2785 1.0715 1.0715 1.1215 1.1215 1.9702 1.9702 2.4688 2.4688 2.5007 2.5007 2.9540 2.9540 3.4103 3.4103 3.7006 3.7006 4.8636 4.8636 4.9379 4.9379 7.6914 7.6914 9.7052 9.7052 10.0164 10.0164 k = 0.2200 0.0958-0.0000 ( 3707 PWs) bands (ev): -24.7626 -24.7626 -24.6948 -24.6948 -12.9030 -12.9030 -12.4052 -12.4052 -8.5349 -8.5349 -8.2840 -8.2840 -8.2513 -8.2513 -8.1577 -8.1577 -8.0130 -8.0130 -8.0022 -8.0022 -0.2760 -0.2760 1.0703 1.0703 1.1203 1.1203 1.9624 1.9624 2.4702 2.4702 2.5022 2.5022 2.9466 2.9466 3.4101 3.4101 3.7006 3.7006 4.8652 4.8652 4.9396 4.9396 7.7456 7.7456 9.6944 9.6944 9.9372 9.9372 k = 0.2400 0.1045-0.0000 ( 3698 PWs) bands (ev): -24.7622 -24.7622 -24.6951 -24.6951 -12.9051 -12.9051 -12.4032 -12.4032 -8.5306 -8.5306 -8.2856 -8.2856 -8.2501 -8.2501 -8.1581 -8.1581 -8.0165 -8.0165 -8.0018 -8.0018 -0.2735 -0.2735 1.0692 1.0692 1.1190 1.1190 1.9551 1.9551 2.4716 2.4716 2.5038 2.5038 2.9387 2.9387 3.4100 3.4100 3.7006 3.7006 4.8670 4.8670 4.9413 4.9413 7.8036 7.8036 9.6836 9.6836 9.8577 9.8577 k = 0.2600 0.1132-0.0000 ( 3690 PWs) bands (ev): -24.7619 -24.7619 -24.6954 -24.6954 -12.9071 -12.9071 -12.4013 -12.4013 -8.5262 -8.5262 -8.2870 -8.2870 -8.2489 -8.2489 -8.1585 -8.1585 -8.0201 -8.0201 -8.0013 -8.0013 -0.2713 -0.2713 1.0680 1.0680 1.1178 1.1178 1.9485 1.9485 2.4731 2.4731 2.5054 2.5054 2.9301 2.9301 3.4099 3.4099 3.7006 3.7006 4.8688 4.8688 4.9430 4.9430 7.8650 7.8650 9.6730 9.6730 9.7780 9.7780 k = 0.2800 0.1219-0.0000 ( 3686 PWs) bands (ev): -24.7616 -24.7616 -24.6957 -24.6957 -12.9091 -12.9091 -12.3993 -12.3993 -8.5218 -8.5218 -8.2885 -8.2885 -8.2477 -8.2477 -8.1590 -8.1590 -8.0237 -8.0237 -8.0008 -8.0008 -0.2693 -0.2693 1.0668 1.0668 1.1166 1.1166 1.9427 1.9427 2.4745 2.4745 2.5069 2.5069 2.9210 2.9210 3.4098 3.4098 3.7006 3.7006 4.8705 4.8705 4.9447 4.9447 7.9296 7.9296 9.6628 9.6628 9.6981 9.6981 k = 0.3000 0.1306-0.0000 ( 3686 PWs) bands (ev): -24.7612 -24.7612 -24.6961 -24.6961 -12.9111 -12.9111 -12.3974 -12.3974 -8.5175 -8.5175 -8.2899 -8.2899 -8.2467 -8.2467 -8.1594 -8.1594 -8.0271 -8.0271 -8.0003 -8.0003 -0.2675 -0.2675 1.0657 1.0657 1.1154 1.1154 1.9377 1.9377 2.4759 2.4759 2.5085 2.5085 2.9117 2.9117 3.4096 3.4096 3.7006 3.7006 4.8722 4.8722 4.9463 4.9463 7.9969 7.9969 9.6181 9.6181 9.6530 9.6530 k = 0.3200 0.1393-0.0000 ( 3682 PWs) bands (ev): -24.7609 -24.7609 -24.6964 -24.6964 -12.9129 -12.9129 -12.3956 -12.3956 -8.5134 -8.5134 -8.2912 -8.2912 -8.2457 -8.2457 -8.1598 -8.1598 -8.0304 -8.0304 -7.9999 -7.9999 -0.2659 -0.2659 1.0646 1.0646 1.1143 1.1143 1.9335 1.9335 2.4773 2.4773 2.5099 2.5099 2.9023 2.9023 3.4095 3.4095 3.7006 3.7006 4.8738 4.8738 4.9479 4.9479 8.0667 8.0667 9.5380 9.5380 9.6439 9.6439 k = 0.3400 0.1480-0.0000 ( 3674 PWs) bands (ev): -24.7606 -24.7606 -24.6967 -24.6967 -12.9147 -12.9147 -12.3939 -12.3939 -8.5094 -8.5094 -8.2924 -8.2924 -8.2447 -8.2447 -8.1602 -8.1602 -8.0336 -8.0336 -7.9995 -7.9995 -0.2646 -0.2646 1.0636 1.0636 1.1132 1.1132 1.9302 1.9302 2.4785 2.4785 2.5113 2.5113 2.8930 2.8930 3.4094 3.4094 3.7006 3.7006 4.8754 4.8754 4.9494 4.9494 8.1385 8.1385 9.4579 9.4579 9.6355 9.6355 k = 0.3600 0.1568-0.0000 ( 3666 PWs) bands (ev): -24.7602 -24.7602 -24.6970 -24.6970 -12.9163 -12.9163 -12.3923 -12.3923 -8.5058 -8.5058 -8.2936 -8.2936 -8.2439 -8.2439 -8.1606 -8.1606 -8.0364 -8.0364 -7.9991 -7.9991 -0.2635 -0.2635 1.0627 1.0627 1.1123 1.1123 1.9277 1.9277 2.4797 2.4797 2.5126 2.5126 2.8841 2.8841 3.4093 3.4093 3.7006 3.7006 4.8769 4.8769 4.9509 4.9509 8.2119 8.2119 9.3778 9.3778 9.6279 9.6279 k = 0.3800 0.1655-0.0000 ( 3662 PWs) bands (ev): -24.7600 -24.7600 -24.6973 -24.6973 -12.9177 -12.9177 -12.3909 -12.3909 -8.5025 -8.5025 -8.2946 -8.2946 -8.2431 -8.2431 -8.1609 -8.1609 -8.0390 -8.0390 -7.9987 -7.9987 -0.2625 -0.2625 1.0619 1.0619 1.1114 1.1114 1.9259 1.9259 2.4807 2.4807 2.5137 2.5137 2.8757 2.8757 3.4092 3.4092 3.7006 3.7006 4.8782 4.8782 4.9522 4.9522 8.2865 8.2865 9.2980 9.2980 9.6212 9.6212 k = 0.4000 0.1742-0.0000 ( 3662 PWs) bands (ev): -24.7597 -24.7597 -24.6975 -24.6975 -12.9190 -12.9190 -12.3897 -12.3897 -8.4997 -8.4997 -8.2956 -8.2956 -8.2424 -8.2424 -8.1611 -8.1611 -8.0413 -8.0413 -7.9984 -7.9984 -0.2618 -0.2618 1.0611 1.0611 1.1106 1.1106 1.9246 1.9246 2.4817 2.4817 2.5147 2.5147 2.8681 2.8681 3.4091 3.4091 3.7006 3.7006 4.8794 4.8794 4.9533 4.9533 8.3617 8.3617 9.2189 9.2189 9.6154 9.6154 k = 0.4200 0.1829-0.0000 ( 3670 PWs) bands (ev): -24.7595 -24.7595 -24.6977 -24.6977 -12.9200 -12.9200 -12.3886 -12.3886 -8.4972 -8.4972 -8.2964 -8.2964 -8.2419 -8.2419 -8.1614 -8.1614 -8.0432 -8.0432 -7.9982 -7.9982 -0.2613 -0.2613 1.0605 1.0605 1.1099 1.1099 1.9238 1.9238 2.4824 2.4824 2.5155 2.5155 2.8616 2.8616 3.4090 3.4090 3.7005 3.7005 4.8803 4.8803 4.9542 4.9542 8.4368 8.4368 9.1409 9.1409 9.6106 9.6106 k = 0.4400 0.1916-0.0000 ( 3662 PWs) bands (ev): -24.7594 -24.7594 -24.6979 -24.6979 -12.9209 -12.9209 -12.3878 -12.3878 -8.4953 -8.4953 -8.2970 -8.2970 -8.2414 -8.2414 -8.1616 -8.1616 -8.0447 -8.0447 -7.9980 -7.9980 -0.2609 -0.2609 1.0600 1.0600 1.1094 1.1094 1.9233 1.9233 2.4830 2.4830 2.5162 2.5162 2.8562 2.8562 3.4090 3.4090 3.7005 3.7005 4.8811 4.8811 4.9550 4.9550 8.5102 8.5102 9.0654 9.0654 9.6068 9.6068 k = 0.4600 0.2003-0.0000 ( 3638 PWs) bands (ev): -24.7592 -24.7592 -24.6980 -24.6980 -12.9215 -12.9215 -12.3872 -12.3872 -8.4939 -8.4939 -8.2974 -8.2974 -8.2411 -8.2411 -8.1617 -8.1617 -8.0458 -8.0458 -7.9978 -7.9978 -0.2606 -0.2606 1.0597 1.0597 1.1091 1.1091 1.9231 1.9231 2.4835 2.4835 2.5167 2.5167 2.8524 2.8524 3.4091 3.4091 3.7007 3.7007 4.8817 4.8817 4.9555 4.9555 8.5789 8.5789 8.9954 8.9954 9.6041 9.6041 k = 0.4800 0.2090-0.0000 ( 3650 PWs) bands (ev): -24.7592 -24.7592 -24.6981 -24.6981 -12.9218 -12.9218 -12.3869 -12.3869 -8.4930 -8.4930 -8.2977 -8.2977 -8.2409 -8.2409 -8.1617 -8.1617 -8.0465 -8.0465 -7.9977 -7.9977 -0.2604 -0.2604 1.0594 1.0594 1.1088 1.1088 1.9230 1.9230 2.4837 2.4837 2.5170 2.5170 2.8499 2.8499 3.4090 3.4090 3.7006 3.7006 4.8820 4.8820 4.9558 4.9558 8.6350 8.6350 8.9385 8.9385 9.6025 9.6025 k = 0.5000 0.2177-0.0000 ( 3650 PWs) bands (ev): -24.7592 -24.7592 -24.6981 -24.6981 -12.9220 -12.9220 -12.3867 -12.3867 -8.4927 -8.4927 -8.2978 -8.2978 -8.2408 -8.2408 -8.1618 -8.1618 -8.0467 -8.0467 -7.9977 -7.9977 -0.2604 -0.2604 1.0593 1.0593 1.1087 1.1087 1.9229 1.9229 2.4838 2.4838 2.5171 2.5171 2.8491 2.8491 3.4090 3.4090 3.7006 3.7006 4.8821 4.8821 4.9559 4.9559 8.6592 8.6592 8.9141 8.9141 9.6020 9.6020 k = 0.5000 0.2177-0.0000 ( 3650 PWs) bands (ev): -24.7592 -24.7592 -24.6981 -24.6981 -12.9220 -12.9220 -12.3867 -12.3867 -8.4927 -8.4927 -8.2978 -8.2978 -8.2408 -8.2408 -8.1618 -8.1618 -8.0467 -8.0467 -7.9977 -7.9977 -0.2604 -0.2604 1.0593 1.0593 1.1087 1.1087 1.9229 1.9229 2.4838 2.4838 2.5171 2.5171 2.8491 2.8491 3.4090 3.4090 3.7006 3.7006 4.8821 4.8821 4.9559 4.9559 8.6592 8.6592 8.9141 8.9141 9.6020 9.6020 k = 0.4937 0.2321 0.0157 ( 3660 PWs) bands (ev): -24.7591 -24.7591 -24.6981 -24.6981 -12.9220 -12.9220 -12.3869 -12.3869 -8.4927 -8.4927 -8.2979 -8.2979 -8.2407 -8.2407 -8.1617 -8.1617 -8.0468 -8.0468 -7.9977 -7.9977 -0.2603 -0.2603 1.0589 1.0589 1.1082 1.1082 1.9231 1.9231 2.4821 2.4821 2.5154 2.5154 2.8517 2.8517 3.4092 3.4092 3.7005 3.7005 4.8816 4.8816 4.9555 4.9555 8.6618 8.6618 8.9140 8.9140 9.6037 9.6037 k = 0.4874 0.2466 0.0315 ( 3664 PWs) bands (ev): -24.7590 -24.7590 -24.6981 -24.6981 -12.9223 -12.9223 -12.3873 -12.3873 -8.4924 -8.4924 -8.2983 -8.2983 -8.2403 -8.2403 -8.1615 -8.1615 -8.0469 -8.0469 -7.9977 -7.9977 -0.2602 -0.2602 1.0575 1.0575 1.1068 1.1068 1.9236 1.9236 2.4767 2.4767 2.5111 2.5111 2.8593 2.8593 3.4100 3.4100 3.7003 3.7003 4.8803 4.8803 4.9541 4.9541 8.6699 8.6699 8.9139 8.9139 9.6091 9.6091 k = 0.4811 0.2610 0.0472 ( 3654 PWs) bands (ev): -24.7587 -24.7587 -24.6981 -24.6981 -12.9227 -12.9227 -12.3879 -12.3879 -8.4919 -8.4919 -8.2989 -8.2989 -8.2395 -8.2395 -8.1612 -8.1612 -8.0471 -8.0471 -7.9977 -7.9977 -0.2598 -0.2598 1.0552 1.0552 1.1046 1.1046 1.9245 1.9245 2.4666 2.4666 2.5057 2.5057 2.8711 2.8711 3.4115 3.4115 3.6999 3.6999 4.8780 4.8780 4.9520 4.9520 8.6832 8.6832 8.9136 8.9136 9.6181 9.6181 k = 0.4749 0.2755 0.0630 ( 3658 PWs) bands (ev): -24.7584 -24.7584 -24.6981 -24.6981 -12.9232 -12.9232 -12.3888 -12.3888 -8.4913 -8.4913 -8.2997 -8.2997 -8.2385 -8.2385 -8.1607 -8.1607 -8.0474 -8.0474 -7.9977 -7.9977 -0.2594 -0.2594 1.0518 1.0518 1.1016 1.1016 1.9257 1.9257 2.4515 2.4515 2.5003 2.5003 2.8864 2.8864 3.4134 3.4134 3.6995 3.6995 4.8748 4.8748 4.9490 4.9490 8.7017 8.7017 8.9131 8.9131 9.6305 9.6305 k = 0.4686 0.2899 0.0787 ( 3662 PWs) bands (ev): -24.7579 -24.7579 -24.6981 -24.6981 -12.9239 -12.9239 -12.3900 -12.3900 -8.4905 -8.4905 -8.3007 -8.3007 -8.2372 -8.2372 -8.1601 -8.1601 -8.0478 -8.0478 -7.9977 -7.9977 -0.2589 -0.2589 1.0473 1.0473 1.0979 1.0979 1.9272 1.9272 2.4321 2.4321 2.4952 2.4952 2.9044 2.9044 3.4159 3.4159 3.6988 3.6988 4.8707 4.8707 4.9453 4.9453 8.7253 8.7253 8.9122 8.9122 9.6464 9.6464 k = 0.4623 0.3043 0.0945 ( 3658 PWs) bands (ev): -24.7574 -24.7574 -24.6981 -24.6981 -12.9248 -12.9248 -12.3914 -12.3914 -8.4895 -8.4895 -8.3018 -8.3018 -8.2357 -8.2357 -8.1593 -8.1593 -8.0483 -8.0483 -7.9977 -7.9977 -0.2582 -0.2582 1.0416 1.0416 1.0937 1.0937 1.9290 1.9290 2.4095 2.4095 2.4900 2.4900 2.9243 2.9243 3.4191 3.4191 3.6981 3.6981 4.8657 4.8657 4.9410 4.9410 8.7539 8.7539 8.9108 8.9108 9.6656 9.6656 k = 0.4560 0.3188 0.1102 ( 3664 PWs) bands (ev): -24.7567 -24.7567 -24.6981 -24.6981 -12.9257 -12.9257 -12.3930 -12.3930 -8.4883 -8.4883 -8.3032 -8.3032 -8.2340 -8.2340 -8.1584 -8.1584 -8.0488 -8.0488 -7.9977 -7.9977 -0.2575 -0.2575 1.0347 1.0347 1.0892 1.0892 1.9311 1.9311 2.3844 2.3844 2.4845 2.4845 2.9455 2.9455 3.4229 3.4229 3.6973 3.6973 4.8596 4.8596 4.9362 4.9362 8.7873 8.7873 8.9086 8.9086 9.6879 9.6879 k = 0.4497 0.3332 0.1260 ( 3660 PWs) bands (ev): -24.7560 -24.7560 -24.6981 -24.6981 -12.9268 -12.9268 -12.3949 -12.3949 -8.4870 -8.4870 -8.3047 -8.3047 -8.2320 -8.2320 -8.1574 -8.1574 -8.0495 -8.0495 -7.9976 -7.9976 -0.2566 -0.2566 1.0266 1.0266 1.0844 1.0844 1.9334 1.9334 2.3576 2.3576 2.4786 2.4786 2.9677 2.9677 3.4275 3.4275 3.6965 3.6965 4.8527 4.8527 4.9309 4.9309 8.8253 8.8253 8.9054 8.9054 9.7133 9.7133 k = 0.4434 0.3476 0.1417 ( 3666 PWs) bands (ev): -24.7552 -24.7552 -24.6981 -24.6981 -12.9281 -12.9281 -12.3970 -12.3970 -8.4855 -8.4855 -8.3063 -8.3063 -8.2299 -8.2299 -8.1562 -8.1562 -8.0502 -8.0502 -7.9977 -7.9977 -0.2556 -0.2556 1.0172 1.0172 1.0795 1.0795 1.9359 1.9359 2.3293 2.3293 2.4722 2.4722 2.9903 2.9903 3.4327 3.4327 3.6956 3.6956 4.8449 4.8449 4.9254 4.9254 8.8677 8.8677 8.9009 8.9009 9.7414 9.7414 k = 0.4371 0.3621 0.1575 ( 3662 PWs) bands (ev): -24.7543 -24.7543 -24.6982 -24.6982 -12.9294 -12.9294 -12.3992 -12.3992 -8.4837 -8.4837 -8.3081 -8.3081 -8.2276 -8.2276 -8.1550 -8.1550 -8.0509 -8.0509 -7.9977 -7.9977 -0.2546 -0.2546 1.0066 1.0066 1.0746 1.0746 1.9386 1.9386 2.3000 2.3000 2.4653 2.4653 3.0132 3.0132 3.4387 3.4387 3.6948 3.6948 4.8363 4.8363 4.9197 4.9197 8.8947 8.8947 8.9143 8.9143 9.7722 9.7722 k = 0.4309 0.3765 0.1732 ( 3666 PWs) bands (ev): -24.7533 -24.7533 -24.6982 -24.6982 -12.9309 -12.9309 -12.4017 -12.4017 -8.4819 -8.4819 -8.3101 -8.3101 -8.2252 -8.2252 -8.1536 -8.1536 -8.0518 -8.0518 -7.9977 -7.9977 -0.2534 -0.2534 0.9950 0.9950 1.0695 1.0695 1.9415 1.9415 2.2699 2.2699 2.4580 2.4580 3.0361 3.0361 3.4456 3.4456 3.6940 3.6940 4.8268 4.8268 4.9137 4.9137 8.8867 8.8867 8.9648 8.9648 9.8053 9.8053 k = 0.4246 0.3910 0.1890 ( 3670 PWs) bands (ev): -24.7522 -24.7522 -24.6983 -24.6983 -12.9324 -12.9324 -12.4044 -12.4044 -8.4798 -8.4798 -8.3121 -8.3121 -8.2226 -8.2226 -8.1520 -8.1520 -8.0527 -8.0527 -7.9978 -7.9978 -0.2522 -0.2522 0.9823 0.9823 1.0643 1.0643 1.9446 1.9446 2.2392 2.2392 2.4502 2.4502 3.0587 3.0587 3.4533 3.4533 3.6933 3.6933 4.8168 4.8168 4.9077 4.9077 8.8763 8.8763 9.0189 9.0189 9.8404 9.8404 k = 0.4183 0.4054 0.2047 ( 3674 PWs) bands (ev): -24.7511 -24.7511 -24.6984 -24.6984 -12.9341 -12.9341 -12.4072 -12.4072 -8.4776 -8.4776 -8.3143 -8.3143 -8.2199 -8.2199 -8.1504 -8.1504 -8.0537 -8.0537 -7.9979 -7.9979 -0.2510 -0.2510 0.9689 0.9689 1.0591 1.0591 1.9477 1.9477 2.2081 2.2081 2.4419 2.4419 3.0809 3.0809 3.4619 3.4619 3.6928 3.6928 4.8061 4.8061 4.9016 4.9016 8.8632 8.8632 9.0763 9.0763 9.8771 9.8771 k = 0.4120 0.4198 0.2204 ( 3668 PWs) bands (ev): -24.7499 -24.7499 -24.6985 -24.6985 -12.9358 -12.9358 -12.4101 -12.4101 -8.4752 -8.4752 -8.3166 -8.3166 -8.2170 -8.2170 -8.1486 -8.1486 -8.0547 -8.0547 -7.9980 -7.9980 -0.2496 -0.2496 0.9548 0.9548 1.0539 1.0539 1.9510 1.9510 2.1768 2.1768 2.4333 2.4333 3.1023 3.1023 3.4716 3.4716 3.6926 3.6926 4.7950 4.7950 4.8954 4.8954 8.8471 8.8471 9.1369 9.1369 9.9149 9.9149 k = 0.4057 0.4343 0.2362 ( 3668 PWs) bands (ev): -24.7486 -24.7486 -24.6986 -24.6986 -12.9376 -12.9376 -12.4132 -12.4132 -8.4727 -8.4727 -8.3190 -8.3190 -8.2141 -8.2141 -8.1467 -8.1467 -8.0558 -8.0558 -7.9982 -7.9982 -0.2482 -0.2482 0.9401 0.9401 1.0486 1.0486 1.9543 1.9543 2.1454 2.1454 2.4244 2.4244 3.1229 3.1229 3.4822 3.4822 3.6929 3.6929 4.7835 4.7835 4.8892 4.8892 8.8276 8.8276 9.2001 9.2001 9.9532 9.9532 k = 0.3994 0.4487 0.2519 ( 3664 PWs) bands (ev): -24.7472 -24.7472 -24.6987 -24.6987 -12.9394 -12.9394 -12.4164 -12.4164 -8.4699 -8.4699 -8.3216 -8.3216 -8.2110 -8.2110 -8.1447 -8.1447 -8.0570 -8.0570 -7.9985 -7.9985 -0.2468 -0.2468 0.9250 0.9250 1.0433 1.0433 1.9577 1.9577 2.1140 2.1140 2.4152 2.4152 3.1425 3.1425 3.4938 3.4938 3.6937 3.6937 4.7718 4.7718 4.8830 4.8830 8.8045 8.8045 9.2657 9.2657 9.9911 9.9911 k = 0.3931 0.4631 0.2677 ( 3672 PWs) bands (ev): -24.7458 -24.7458 -24.6989 -24.6989 -12.9413 -12.9413 -12.4197 -12.4197 -8.4670 -8.4670 -8.3243 -8.3243 -8.2079 -8.2079 -8.1427 -8.1427 -8.0582 -8.0582 -7.9988 -7.9988 -0.2454 -0.2454 0.9095 0.9095 1.0379 1.0379 1.9611 1.9611 2.0828 2.0828 2.4057 2.4057 3.1609 3.1609 3.5060 3.5060 3.6952 3.6952 4.7599 4.7599 4.8768 4.8768 8.7776 8.7776 9.3334 9.3334 10.0276 10.0276 k = 0.3868 0.4776 0.2834 ( 3680 PWs) bands (ev): -24.7444 -24.7444 -24.6991 -24.6991 -12.9432 -12.9432 -12.4231 -12.4231 -8.4640 -8.4640 -8.3271 -8.3271 -8.2046 -8.2046 -8.1406 -8.1406 -8.0594 -8.0594 -7.9992 -7.9992 -0.2440 -0.2440 0.8939 0.8939 1.0325 1.0325 1.9645 1.9645 2.0518 2.0518 2.3961 2.3961 3.1780 3.1780 3.5188 3.5188 3.6977 3.6977 4.7480 4.7480 4.8707 4.8707 8.7467 8.7467 9.4027 9.4027 10.0607 10.0607 k = 0.3806 0.4920 0.2992 ( 3676 PWs) bands (ev): -24.7429 -24.7429 -24.6993 -24.6993 -12.9451 -12.9451 -12.4265 -12.4265 -8.4608 -8.4608 -8.3300 -8.3300 -8.2013 -8.2013 -8.1385 -8.1385 -8.0606 -8.0606 -7.9996 -7.9996 -0.2425 -0.2425 0.8782 0.8782 1.0271 1.0271 1.9680 1.9680 2.0213 2.0213 2.3863 2.3863 3.1937 3.1937 3.5318 3.5318 3.7017 3.7017 4.7362 4.7362 4.8646 4.8646 8.7120 8.7120 9.4733 9.4733 10.0880 10.0880 k = 0.3743 0.5064 0.3149 ( 3674 PWs) bands (ev): -24.7413 -24.7413 -24.6996 -24.6996 -12.9470 -12.9470 -12.4300 -12.4300 -8.4575 -8.4575 -8.3331 -8.3331 -8.1979 -8.1979 -8.1363 -8.1363 -8.0619 -8.0619 -8.0001 -8.0001 -0.2411 -0.2411 0.8626 0.8626 1.0217 1.0217 1.9714 1.9714 1.9913 1.9913 2.3765 2.3765 3.2082 3.2082 3.5444 3.5444 3.7074 3.7074 4.7245 4.7245 4.8586 4.8586 8.6737 8.6737 9.5448 9.5448 10.1064 10.1064 k = 0.3680 0.5209 0.3307 ( 3682 PWs) bands (ev): -24.7398 -24.7398 -24.6999 -24.6999 -12.9489 -12.9489 -12.4335 -12.4335 -8.4540 -8.4540 -8.3363 -8.3363 -8.1944 -8.1944 -8.1341 -8.1341 -8.0631 -8.0631 -8.0008 -8.0008 -0.2397 -0.2397 0.8471 0.8471 1.0164 1.0164 1.9620 1.9620 1.9747 1.9747 2.3667 2.3667 3.2212 3.2212 3.5563 3.5563 3.7152 3.7152 4.7130 4.7130 4.8526 4.8526 8.6319 8.6319 9.6167 9.6167 10.1143 10.1143 k = 0.3617 0.5353 0.3464 ( 3672 PWs) bands (ev): -24.7381 -24.7381 -24.7002 -24.7002 -12.9507 -12.9507 -12.4369 -12.4369 -8.4503 -8.4503 -8.3396 -8.3396 -8.1908 -8.1908 -8.1320 -8.1320 -8.0643 -8.0643 -8.0015 -8.0015 -0.2383 -0.2383 0.8319 0.8319 1.0112 1.0112 1.9334 1.9334 1.9781 1.9781 2.3570 2.3570 3.2330 3.2330 3.5669 3.5669 3.7256 3.7256 4.7018 4.7018 4.8469 4.8469 8.5872 8.5872 9.6885 9.6885 10.1132 10.1132 k = 0.3554 0.5498 0.3622 ( 3672 PWs) bands (ev): -24.7365 -24.7365 -24.7006 -24.7006 -12.9525 -12.9525 -12.4404 -12.4404 -8.4466 -8.4466 -8.3431 -8.3431 -8.1871 -8.1871 -8.1299 -8.1299 -8.0654 -8.0654 -8.0023 -8.0023 -0.2369 -0.2369 0.8171 0.8171 1.0061 1.0061 1.9057 1.9057 1.9814 1.9814 2.3473 2.3473 3.2436 3.2436 3.5758 3.5758 3.7386 3.7386 4.6909 4.6909 4.8412 4.8412 8.5400 8.5400 9.7600 9.7600 10.1070 10.1070 k = 0.3491 0.5642 0.3779 ( 3676 PWs) bands (ev): -24.7348 -24.7348 -24.7010 -24.7010 -12.9543 -12.9543 -12.4438 -12.4438 -8.4427 -8.4427 -8.3467 -8.3467 -8.1834 -8.1834 -8.1279 -8.1279 -8.0665 -8.0665 -8.0032 -8.0032 -0.2356 -0.2356 0.8027 0.8027 1.0012 1.0012 1.8789 1.8789 1.9846 1.9846 2.3378 2.3378 3.2530 3.2530 3.5830 3.5830 3.7541 3.7541 4.6804 4.6804 4.8358 4.8358 8.4910 8.4910 9.8304 9.8304 10.0990 10.0990 k = 0.3428 0.5786 0.3937 ( 3680 PWs) bands (ev): -24.7332 -24.7332 -24.7015 -24.7015 -12.9560 -12.9560 -12.4471 -12.4471 -8.4388 -8.4388 -8.3504 -8.3504 -8.1796 -8.1796 -8.1262 -8.1262 -8.0674 -8.0674 -8.0042 -8.0042 -0.2344 -0.2344 0.7889 0.7889 0.9964 0.9964 1.8532 1.8532 1.9877 1.9877 2.3286 2.3286 3.2615 3.2615 3.5885 3.5885 3.7718 3.7718 4.6704 4.6704 4.8305 4.8305 8.4406 8.4406 9.8995 9.8995 10.0910 10.0910 k = 0.3366 0.5931 0.4094 ( 3686 PWs) bands (ev): -24.7315 -24.7315 -24.7020 -24.7020 -12.9576 -12.9576 -12.4504 -12.4504 -8.4347 -8.4347 -8.3543 -8.3543 -8.1758 -8.1758 -8.1246 -8.1246 -8.0681 -8.0681 -8.0053 -8.0053 -0.2333 -0.2333 0.7757 0.7757 0.9918 0.9918 1.8287 1.8287 1.9908 1.9908 2.3196 2.3196 3.2690 3.2690 3.5925 3.5925 3.7911 3.7911 4.6609 4.6609 4.8254 4.8254 8.3896 8.3896 9.9667 9.9667 10.0839 10.0839 k = 0.3303 0.6075 0.4251 ( 3686 PWs) bands (ev): -24.7298 -24.7298 -24.7026 -24.7026 -12.9590 -12.9590 -12.4536 -12.4536 -8.4306 -8.4306 -8.3583 -8.3583 -8.1719 -8.1719 -8.1233 -8.1233 -8.0686 -8.0686 -8.0066 -8.0066 -0.2323 -0.2323 0.7632 0.7632 0.9875 0.9875 1.8054 1.8054 1.9938 1.9938 2.3109 2.3109 3.2757 3.2757 3.5954 3.5954 3.8117 3.8117 4.6519 4.6519 4.8205 4.8205 8.3386 8.3386 10.0316 10.0316 10.0780 10.0780 k = 0.3240 0.6219 0.4409 ( 3690 PWs) bands (ev): -24.7281 -24.7281 -24.7032 -24.7032 -12.9604 -12.9604 -12.4567 -12.4567 -8.4264 -8.4264 -8.3624 -8.3624 -8.1679 -8.1679 -8.1224 -8.1224 -8.0688 -8.0688 -8.0079 -8.0079 -0.2314 -0.2314 0.7516 0.7516 0.9834 0.9834 1.7835 1.7835 1.9967 1.9967 2.3026 2.3026 3.2817 3.2817 3.5974 3.5974 3.8328 3.8328 4.6435 4.6435 4.8160 4.8160 8.2881 8.2881 10.0731 10.0731 10.0937 10.0937 k = 0.3177 0.6364 0.4566 ( 3690 PWs) bands (ev): -24.7264 -24.7264 -24.7039 -24.7039 -12.9617 -12.9617 -12.4596 -12.4596 -8.4221 -8.4221 -8.3665 -8.3665 -8.1640 -8.1640 -8.1219 -8.1219 -8.0687 -8.0687 -8.0094 -8.0094 -0.2306 -0.2306 0.7408 0.7408 0.9796 0.9796 1.7629 1.7629 1.9995 1.9995 2.2948 2.2948 3.2870 3.2870 3.5987 3.5987 3.8541 3.8541 4.6357 4.6357 4.8117 4.8117 8.2388 8.2388 10.0690 10.0690 10.1527 10.1527 k = 0.3114 0.6508 0.4724 ( 3686 PWs) bands (ev): -24.7247 -24.7247 -24.7046 -24.7046 -12.9628 -12.9628 -12.4624 -12.4624 -8.4179 -8.4179 -8.3708 -8.3708 -8.1599 -8.1599 -8.1217 -8.1217 -8.0682 -8.0682 -8.0110 -8.0110 -0.2299 -0.2299 0.7309 0.7309 0.9761 0.9761 1.7439 1.7439 2.0023 2.0023 2.2874 2.2874 3.2918 3.2918 3.5997 3.5997 3.8751 3.8751 4.6285 4.6285 4.8077 4.8077 8.1911 8.1911 10.0654 10.0654 10.2082 10.2082 k = 0.3051 0.6653 0.4881 ( 3690 PWs) bands (ev): -24.7231 -24.7231 -24.7054 -24.7054 -12.9638 -12.9638 -12.4650 -12.4650 -8.4137 -8.4137 -8.3750 -8.3750 -8.1559 -8.1559 -8.1221 -8.1221 -8.0674 -8.0674 -8.0127 -8.0127 -0.2293 -0.2293 0.7219 0.7219 0.9729 0.9729 1.7265 1.7265 2.0049 2.0049 2.2805 2.2805 3.2960 3.2960 3.6002 3.6002 3.8953 3.8953 4.6219 4.6219 4.8039 4.8039 8.1455 8.1455 10.0620 10.0620 10.2600 10.2600 k = 0.2988 0.6797 0.5039 ( 3694 PWs) bands (ev): -24.7215 -24.7215 -24.7063 -24.7063 -12.9646 -12.9646 -12.4674 -12.4674 -8.4098 -8.4098 -8.3791 -8.3791 -8.1518 -8.1518 -8.1228 -8.1228 -8.0663 -8.0663 -8.0145 -8.0145 -0.2289 -0.2289 0.7140 0.7140 0.9701 0.9701 1.7107 1.7107 2.0074 2.0074 2.2742 2.2742 3.2998 3.2998 3.6005 3.6005 3.9145 3.9145 4.6161 4.6161 4.8005 4.8005 8.1025 8.1025 10.0583 10.0583 10.3078 10.3078 k = 0.2926 0.6941 0.5196 ( 3686 PWs) bands (ev): -24.7198 -24.7198 -24.7072 -24.7072 -12.9653 -12.9653 -12.4697 -12.4697 -8.4063 -8.4063 -8.3827 -8.3827 -8.1478 -8.1478 -8.1240 -8.1240 -8.0649 -8.0649 -8.0163 -8.0163 -0.2287 -0.2287 0.7072 0.7072 0.9677 0.9677 1.6966 1.6966 2.0098 2.0098 2.2685 2.2685 3.3031 3.3031 3.6007 3.6007 3.9324 3.9324 4.6109 4.6109 4.7975 4.7975 8.0623 8.0623 10.0540 10.0540 10.3514 10.3514 k = 0.2863 0.7086 0.5354 ( 3676 PWs) bands (ev): -24.7183 -24.7183 -24.7082 -24.7082 -12.9658 -12.9658 -12.4717 -12.4717 -8.4040 -8.4040 -8.3853 -8.3853 -8.1437 -8.1437 -8.1255 -8.1255 -8.0632 -8.0632 -8.0183 -8.0183 -0.2286 -0.2286 0.7016 0.7016 0.9656 0.9656 1.6842 1.6842 2.0121 2.0121 2.2633 2.2633 3.3061 3.3061 3.6007 3.6007 3.9486 3.9486 4.6065 4.6065 4.7948 4.7948 8.0255 8.0255 10.0485 10.0485 10.3910 10.3910 k = 0.2800 0.7230 0.5511 ( 3668 PWs) bands (ev): -24.7167 -24.7167 -24.7092 -24.7092 -12.9661 -12.9661 -12.4736 -12.4736 -8.4038 -8.4038 -8.3858 -8.3858 -8.1398 -8.1398 -8.1272 -8.1272 -8.0613 -8.0613 -8.0203 -8.0203 -0.2287 -0.2287 0.6970 0.6970 0.9639 0.9639 1.6737 1.6737 2.0143 2.0143 2.2589 2.2589 3.3087 3.3087 3.6008 3.6008 3.9628 3.9628 4.6027 4.6027 4.7924 4.7924 7.9922 7.9922 10.0416 10.0416 10.4264 10.4264 k = 0.2737 0.7374 0.5669 ( 3668 PWs) bands (ev): -24.7152 -24.7152 -24.7103 -24.7103 -12.9663 -12.9663 -12.4752 -12.4752 -8.4062 -8.4062 -8.3839 -8.3839 -8.1363 -8.1363 -8.1290 -8.1290 -8.0592 -8.0592 -8.0224 -8.0224 -0.2289 -0.2289 0.6936 0.6936 0.9627 0.9627 1.6650 1.6650 2.0164 2.0164 2.2551 2.2551 3.3110 3.3110 3.6008 3.6008 3.9750 3.9750 4.5996 4.5996 4.7904 4.7904 7.9625 7.9625 10.0330 10.0330 10.4578 10.4578 k = 0.2737 0.7374 0.5669 ( 3668 PWs) bands (ev): -24.7152 -24.7152 -24.7103 -24.7103 -12.9663 -12.9663 -12.4752 -12.4752 -8.4062 -8.4062 -8.3839 -8.3839 -8.1363 -8.1363 -8.1290 -8.1290 -8.0592 -8.0592 -8.0224 -8.0224 -0.2289 -0.2289 0.6936 0.6936 0.9627 0.9627 1.6650 1.6650 2.0164 2.0164 2.2551 2.2551 3.3110 3.3110 3.6008 3.6008 3.9750 3.9750 4.5996 4.5996 4.7904 4.7904 7.9625 7.9625 10.0330 10.0330 10.4578 10.4578 k = 0.2526 0.7333 0.5714 ( 3670 PWs) bands (ev): -24.7148 -24.7148 -24.7105 -24.7105 -12.9662 -12.9662 -12.4757 -12.4757 -8.4071 -8.4071 -8.3832 -8.3832 -8.1355 -8.1355 -8.1293 -8.1293 -8.0585 -8.0585 -8.0231 -8.0231 -0.2290 -0.2290 0.6930 0.6930 0.9624 0.9624 1.6620 1.6620 2.0177 2.0177 2.2541 2.2541 3.3116 3.3116 3.6008 3.6008 3.9780 3.9780 4.5989 4.5989 4.7899 4.7899 7.9546 7.9546 10.0287 10.0287 10.4672 10.4672 k = 0.2316 0.7291 0.5760 ( 3669 PWs) bands (ev): -24.7145 -24.7145 -24.7107 -24.7107 -12.9662 -12.9662 -12.4761 -12.4761 -8.4078 -8.4078 -8.3826 -8.3826 -8.1352 -8.1352 -8.1294 -8.1294 -8.0576 -8.0576 -8.0239 -8.0239 -0.2291 -0.2291 0.6928 0.6928 0.9622 0.9622 1.6575 1.6575 2.0204 2.0204 2.2531 2.2531 3.3121 3.3121 3.6008 3.6008 3.9809 3.9809 4.5983 4.5983 4.7894 4.7894 7.9470 7.9470 10.0218 10.0218 10.4780 10.4780 k = 0.2105 0.7249 0.5806 ( 3673 PWs) bands (ev): -24.7143 -24.7143 -24.7109 -24.7109 -12.9661 -12.9661 -12.4766 -12.4766 -8.4084 -8.4084 -8.3823 -8.3823 -8.1351 -8.1351 -8.1292 -8.1292 -8.0565 -8.0565 -8.0248 -8.0248 -0.2291 -0.2291 0.6929 0.6929 0.9620 0.9620 1.6519 1.6519 2.0241 2.0241 2.2522 2.2522 3.3126 3.3126 3.6008 3.6008 3.9835 3.9835 4.5977 4.5977 4.7889 4.7889 7.9398 7.9398 10.0130 10.0130 10.4891 10.4891 k = 0.1895 0.7207 0.5851 ( 3673 PWs) bands (ev): -24.7142 -24.7142 -24.7108 -24.7108 -12.9660 -12.9660 -12.4771 -12.4771 -8.4087 -8.4087 -8.3821 -8.3821 -8.1352 -8.1352 -8.1290 -8.1290 -8.0552 -8.0552 -8.0258 -8.0258 -0.2290 -0.2290 0.6934 0.6934 0.9619 0.9619 1.6453 1.6453 2.0288 2.0288 2.2514 2.2514 3.3130 3.3130 3.6008 3.6008 3.9858 3.9858 4.5974 4.5974 4.7884 4.7884 7.9331 7.9331 10.0030 10.0030 10.4997 10.4997 k = 0.1684 0.7165 0.5897 ( 3678 PWs) bands (ev): -24.7142 -24.7142 -24.7108 -24.7108 -12.9658 -12.9658 -12.4775 -12.4775 -8.4088 -8.4088 -8.3822 -8.3822 -8.1354 -8.1354 -8.1288 -8.1288 -8.0537 -8.0537 -8.0270 -8.0270 -0.2289 -0.2289 0.6942 0.6942 0.9618 0.9618 1.6382 1.6382 2.0339 2.0339 2.2506 2.2506 3.3134 3.3134 3.6008 3.6008 3.9878 3.9878 4.5971 4.5971 4.7880 4.7880 7.9271 7.9271 9.9925 9.9925 10.5092 10.5092 k = 0.1474 0.7123 0.5943 ( 3675 PWs) bands (ev): -24.7143 -24.7143 -24.7106 -24.7106 -12.9657 -12.9657 -12.4779 -12.4779 -8.4087 -8.4087 -8.3825 -8.3825 -8.1357 -8.1357 -8.1285 -8.1285 -8.0522 -8.0522 -8.0282 -8.0282 -0.2288 -0.2288 0.6951 0.6951 0.9618 0.9618 1.6309 1.6309 2.0394 2.0394 2.2499 2.2499 3.3137 3.3137 3.6008 3.6008 3.9896 3.9896 4.5969 4.5969 4.7876 4.7876 7.9217 7.9217 9.9820 9.9820 10.5171 10.5171 k = 0.1263 0.7081 0.5988 ( 3675 PWs) bands (ev): -24.7144 -24.7144 -24.7105 -24.7105 -12.9655 -12.9655 -12.4783 -12.4783 -8.4084 -8.4084 -8.3829 -8.3829 -8.1360 -8.1360 -8.1284 -8.1284 -8.0505 -8.0505 -8.0295 -8.0295 -0.2287 -0.2287 0.6961 0.6961 0.9617 0.9617 1.6237 1.6237 2.0447 2.0447 2.2492 2.2492 3.3140 3.3140 3.6008 3.6008 3.9911 3.9911 4.5968 4.5968 4.7873 4.7873 7.9170 7.9170 9.9720 9.9720 10.5232 10.5232 k = 0.1053 0.7039 0.6034 ( 3673 PWs) bands (ev): -24.7145 -24.7145 -24.7103 -24.7103 -12.9654 -12.9654 -12.4786 -12.4786 -8.4080 -8.4080 -8.3835 -8.3835 -8.1362 -8.1362 -8.1282 -8.1282 -8.0487 -8.0487 -8.0310 -8.0310 -0.2285 -0.2285 0.6972 0.6972 0.9617 0.9617 1.6170 1.6170 2.0497 2.0497 2.2487 2.2487 3.3142 3.3142 3.6008 3.6008 3.9923 3.9923 4.5968 4.5968 4.7870 4.7870 7.9130 7.9130 9.9630 9.9630 10.5279 10.5279 k = 0.0842 0.6998 0.6080 ( 3675 PWs) bands (ev): -24.7147 -24.7147 -24.7102 -24.7102 -12.9652 -12.9652 -12.4789 -12.4789 -8.4075 -8.4075 -8.3841 -8.3841 -8.1365 -8.1365 -8.1281 -8.1281 -8.0469 -8.0469 -8.0325 -8.0325 -0.2284 -0.2284 0.6982 0.6982 0.9617 0.9617 1.6111 1.6111 2.0541 2.0541 2.2482 2.2482 3.3144 3.3144 3.6007 3.6007 3.9933 3.9933 4.5967 4.5967 4.7867 4.7867 7.9098 7.9098 9.9551 9.9551 10.5312 10.5312 k = 0.0632 0.6956 0.6125 ( 3675 PWs) bands (ev): -24.7147 -24.7147 -24.7100 -24.7100 -12.9651 -12.9651 -12.4792 -12.4792 -8.4071 -8.4071 -8.3847 -8.3847 -8.1367 -8.1367 -8.1280 -8.1280 -8.0450 -8.0450 -8.0341 -8.0341 -0.2283 -0.2283 0.6990 0.6990 0.9617 0.9617 1.6062 1.6062 2.0578 2.0578 2.2478 2.2478 3.3145 3.3145 3.6007 3.6007 3.9941 3.9941 4.5968 4.5968 4.7865 4.7865 7.9073 7.9073 9.9487 9.9487 10.5335 10.5335 k = 0.0421 0.6914 0.6171 ( 3679 PWs) bands (ev): -24.7148 -24.7148 -24.7099 -24.7099 -12.9651 -12.9651 -12.4793 -12.4793 -8.4066 -8.4066 -8.3852 -8.3852 -8.1368 -8.1368 -8.1280 -8.1280 -8.0432 -8.0432 -8.0357 -8.0357 -0.2282 -0.2282 0.6997 0.6997 0.9617 0.9617 1.6026 1.6026 2.0605 2.0605 2.2476 2.2476 3.3146 3.3146 3.6007 3.6007 3.9946 3.9946 4.5968 4.5968 4.7864 4.7864 7.9055 7.9055 9.9440 9.9440 10.5351 10.5351 k = 0.0211 0.6872 0.6217 ( 3678 PWs) bands (ev): -24.7149 -24.7149 -24.7099 -24.7099 -12.9650 -12.9650 -12.4794 -12.4794 -8.4064 -8.4064 -8.3855 -8.3855 -8.1369 -8.1369 -8.1280 -8.1280 -8.0414 -8.0414 -8.0374 -8.0374 -0.2282 -0.2282 0.7001 0.7001 0.9617 0.9617 1.6003 1.6003 2.0622 2.0622 2.2474 2.2474 3.3147 3.3147 3.6007 3.6007 3.9949 3.9949 4.5968 4.5968 4.7863 4.7863 7.9044 7.9044 9.9412 9.9412 10.5359 10.5359 k = 0.0000 0.6830 0.6262 ( 3682 PWs) bands (ev): -24.7149 -24.7149 -24.7099 -24.7099 -12.9650 -12.9650 -12.4795 -12.4795 -8.4063 -8.4063 -8.3856 -8.3856 -8.1369 -8.1369 -8.1280 -8.1280 -8.0402 -8.0402 -8.0386 -8.0386 -0.2281 -0.2281 0.7002 0.7002 0.9617 0.9617 1.5996 1.5996 2.0627 2.0627 2.2474 2.2474 3.3147 3.3147 3.6007 3.6007 3.9950 3.9950 4.5968 4.5968 4.7862 4.7862 7.9040 7.9040 9.9402 9.9402 10.5362 10.5362 k = 0.0000 0.6830 0.6262 ( 3682 PWs) bands (ev): -24.7149 -24.7149 -24.7099 -24.7099 -12.9650 -12.9650 -12.4795 -12.4795 -8.4063 -8.4063 -8.3856 -8.3856 -8.1369 -8.1369 -8.1280 -8.1280 -8.0402 -8.0402 -8.0386 -8.0386 -0.2281 -0.2281 0.7002 0.7002 0.9617 0.9617 1.5996 1.5996 2.0627 2.0627 2.2474 2.2474 3.3147 3.3147 3.6007 3.6007 3.9950 3.9950 4.5968 4.5968 4.7862 4.7862 7.9040 7.9040 9.9402 9.9402 10.5362 10.5362 k = 0.0063 0.6687 0.6419 ( 3686 PWs) bands (ev): -24.7149 -24.7149 -24.7099 -24.7099 -12.9649 -12.9649 -12.4793 -12.4793 -8.4064 -8.4064 -8.3857 -8.3857 -8.1380 -8.1380 -8.1275 -8.1275 -8.0420 -8.0420 -8.0372 -8.0372 -0.2281 -0.2281 0.7006 0.7006 0.9617 0.9617 1.6003 1.6003 2.0628 2.0628 2.2470 2.2470 3.3157 3.3157 3.6006 3.6006 3.9952 3.9952 4.5971 4.5971 4.7862 4.7862 7.9050 7.9050 9.9399 9.9399 10.5357 10.5357 k = 0.0125 0.6543 0.6575 ( 3680 PWs) bands (ev): -24.7148 -24.7148 -24.7098 -24.7098 -12.9644 -12.9644 -12.4789 -12.4789 -8.4067 -8.4067 -8.3861 -8.3861 -8.1407 -8.1407 -8.1265 -8.1265 -8.0448 -8.0448 -8.0357 -8.0357 -0.2281 -0.2281 0.7018 0.7018 0.9615 0.9615 1.6025 1.6025 2.0630 2.0630 2.2459 2.2459 3.3188 3.3188 3.6004 3.6004 3.9959 3.9959 4.5980 4.5980 4.7864 4.7864 7.9080 7.9080 9.9390 9.9390 10.5343 10.5343 k = 0.0187 0.6400 0.6732 ( 3680 PWs) bands (ev): -24.7147 -24.7147 -24.7097 -24.7097 -12.9638 -12.9638 -12.4781 -12.4781 -8.4072 -8.4072 -8.3868 -8.3868 -8.1445 -8.1445 -8.1256 -8.1256 -8.0479 -8.0479 -8.0345 -8.0345 -0.2282 -0.2282 0.7038 0.7038 0.9614 0.9614 1.6061 1.6061 2.0634 2.0634 2.2441 2.2441 3.3238 3.3238 3.6001 3.6001 3.9970 3.9970 4.5994 4.5994 4.7865 4.7865 7.9130 7.9130 9.9374 9.9374 10.5320 10.5320 k = 0.0250 0.6256 0.6888 ( 3680 PWs) bands (ev): -24.7145 -24.7145 -24.7095 -24.7095 -12.9628 -12.9628 -12.4770 -12.4770 -8.4079 -8.4079 -8.3878 -8.3878 -8.1489 -8.1489 -8.1252 -8.1252 -8.0515 -8.0515 -8.0338 -8.0338 -0.2282 -0.2282 0.7066 0.7066 0.9611 0.9611 1.6111 1.6111 2.0638 2.0638 2.2417 2.2417 3.3307 3.3307 3.5998 3.5998 3.9985 3.9985 4.6014 4.6014 4.7868 4.7868 7.9199 7.9199 9.9349 9.9349 10.5287 10.5287 k = 0.0312 0.6112 0.7045 ( 3676 PWs) bands (ev): -24.7144 -24.7144 -24.7093 -24.7093 -12.9616 -12.9616 -12.4756 -12.4756 -8.4089 -8.4089 -8.3891 -8.3891 -8.1539 -8.1539 -8.1253 -8.1253 -8.0553 -8.0553 -8.0336 -8.0336 -0.2282 -0.2282 0.7101 0.7101 0.9607 0.9607 1.6176 1.6176 2.0645 2.0645 2.2386 2.2386 3.3394 3.3394 3.5994 3.5994 4.0006 4.0006 4.6040 4.6040 4.7871 4.7871 7.9287 7.9287 9.9312 9.9312 10.5243 10.5243 k = 0.0375 0.5969 0.7202 ( 3676 PWs) bands (ev): -24.7141 -24.7141 -24.7091 -24.7091 -12.9601 -12.9601 -12.4739 -12.4739 -8.4101 -8.4101 -8.3906 -8.3906 -8.1593 -8.1593 -8.1260 -8.1260 -8.0594 -8.0594 -8.0338 -8.0338 -0.2282 -0.2282 0.7143 0.7143 0.9603 0.9603 1.6253 1.6253 2.0652 2.0652 2.2350 2.2350 3.3497 3.3497 3.5991 3.5991 4.0031 4.0031 4.6071 4.6071 4.7874 4.7874 7.9395 7.9395 9.9259 9.9259 10.5190 10.5190 k = 0.0437 0.5825 0.7358 ( 3678 PWs) bands (ev): -24.7139 -24.7139 -24.7089 -24.7089 -12.9583 -12.9583 -12.4719 -12.4719 -8.4116 -8.4116 -8.3925 -8.3925 -8.1652 -8.1652 -8.1272 -8.1272 -8.0637 -8.0637 -8.0345 -8.0345 -0.2283 -0.2283 0.7192 0.7192 0.9598 0.9598 1.6344 1.6344 2.0661 2.0661 2.2309 2.2309 3.3614 3.3614 3.5988 3.5988 4.0062 4.0062 4.6107 4.6107 4.7878 4.7878 7.9521 7.9521 9.9186 9.9186 10.5125 10.5125 k = 0.0500 0.5682 0.7515 ( 3676 PWs) bands (ev): -24.7136 -24.7136 -24.7086 -24.7086 -12.9564 -12.9564 -12.4697 -12.4697 -8.4133 -8.4133 -8.3946 -8.3946 -8.1713 -8.1713 -8.1289 -8.1289 -8.0682 -8.0682 -8.0356 -8.0356 -0.2283 -0.2283 0.7247 0.7247 0.9593 0.9593 1.6447 1.6447 2.0670 2.0670 2.2264 2.2264 3.3742 3.3742 3.5987 3.5987 4.0099 4.0099 4.6148 4.6148 4.7883 4.7883 7.9666 7.9666 9.9087 9.9087 10.5050 10.5050 k = 0.0563 0.5538 0.7671 ( 3680 PWs) bands (ev): -24.7132 -24.7132 -24.7082 -24.7082 -12.9541 -12.9541 -12.4672 -12.4672 -8.4154 -8.4154 -8.3971 -8.3971 -8.1777 -8.1777 -8.1311 -8.1311 -8.0729 -8.0729 -8.0371 -8.0371 -0.2284 -0.2284 0.7309 0.7309 0.9587 0.9587 1.6561 1.6561 2.0681 2.0681 2.2215 2.2215 3.3878 3.3878 3.5990 3.5990 4.0142 4.0142 4.6193 4.6193 4.7888 4.7888 7.9828 7.9828 9.8957 9.8957 10.4964 10.4964 k = 0.0625 0.5395 0.7828 ( 3678 PWs) bands (ev): -24.7129 -24.7129 -24.7079 -24.7079 -12.9517 -12.9517 -12.4644 -12.4644 -8.4177 -8.4177 -8.3999 -8.3999 -8.1843 -8.1843 -8.1338 -8.1338 -8.0778 -8.0778 -8.0391 -8.0391 -0.2284 -0.2284 0.7376 0.7376 0.9581 0.9581 1.6687 1.6687 2.0693 2.0693 2.2163 2.2163 3.4019 3.4019 3.5998 3.5998 4.0192 4.0192 4.6244 4.6244 4.7894 4.7894 8.0008 8.0008 9.8789 9.8789 10.4867 10.4867 k = 0.0688 0.5251 0.7984 ( 3674 PWs) bands (ev): -24.7124 -24.7124 -24.7075 -24.7075 -12.9491 -12.9491 -12.4615 -12.4615 -8.4204 -8.4204 -8.4031 -8.4031 -8.1910 -8.1910 -8.1368 -8.1368 -8.0828 -8.0828 -8.0415 -8.0415 -0.2285 -0.2285 0.7448 0.7448 0.9575 0.9575 1.6822 1.6822 2.0705 2.0705 2.2109 2.2109 3.4161 3.4161 3.6014 3.6014 4.0251 4.0251 4.6298 4.6298 4.7901 4.7901 8.0205 8.0205 9.8579 9.8579 10.4760 10.4760 k = 0.0750 0.5108 0.8141 ( 3680 PWs) bands (ev): -24.7120 -24.7120 -24.7071 -24.7071 -12.9463 -12.9463 -12.4583 -12.4583 -8.4235 -8.4235 -8.4066 -8.4066 -8.1978 -8.1978 -8.1402 -8.1402 -8.0879 -8.0879 -8.0442 -8.0442 -0.2285 -0.2285 0.7525 0.7525 0.9568 0.9568 1.6967 1.6967 2.0718 2.0718 2.2054 2.2054 3.4299 3.4299 3.6039 3.6039 4.0318 4.0318 4.6356 4.6356 4.7908 4.7908 8.0417 8.0417 9.8322 9.8322 10.4645 10.4645 k = 0.0813 0.4964 0.8297 ( 3682 PWs) bands (ev): -24.7116 -24.7116 -24.7066 -24.7066 -12.9433 -12.9433 -12.4549 -12.4549 -8.4269 -8.4269 -8.4105 -8.4105 -8.2045 -8.2045 -8.1439 -8.1439 -8.0930 -8.0930 -8.0473 -8.0473 -0.2286 -0.2286 0.7606 0.7606 0.9561 0.9561 1.7120 1.7120 2.0732 2.0732 2.1998 2.1998 3.4427 3.4427 3.6078 3.6078 4.0395 4.0395 4.6417 4.6417 4.7916 4.7916 8.0644 8.0644 9.8016 9.8016 10.4521 10.4521 k = 0.0875 0.4821 0.8454 ( 3678 PWs) bands (ev): -24.7111 -24.7111 -24.7062 -24.7062 -12.9401 -12.9401 -12.4513 -12.4513 -8.4307 -8.4307 -8.4148 -8.4148 -8.2111 -8.2111 -8.1478 -8.1478 -8.0982 -8.0982 -8.0507 -8.0507 -0.2287 -0.2287 0.7690 0.7690 0.9554 0.9554 1.7280 1.7280 2.0747 2.0747 2.1941 2.1941 3.4541 3.4541 3.6133 3.6133 4.0483 4.0483 4.6482 4.6482 4.7925 4.7925 8.0886 8.0886 9.7662 9.7662 10.4390 10.4390 k = 0.0938 0.4677 0.8611 ( 3670 PWs) bands (ev): -24.7106 -24.7106 -24.7057 -24.7057 -12.9369 -12.9369 -12.4476 -12.4476 -8.4349 -8.4349 -8.4193 -8.4193 -8.2176 -8.2176 -8.1519 -8.1519 -8.1035 -8.1035 -8.0544 -8.0544 -0.2287 -0.2287 0.7778 0.7778 0.9547 0.9547 1.7447 1.7447 2.0761 2.0761 2.1885 2.1885 3.4637 3.4637 3.6205 3.6205 4.0582 4.0582 4.6549 4.6549 4.7935 4.7935 8.1141 8.1141 9.7261 9.7261 10.4254 10.4254 k = 0.1000 0.4533 0.8767 ( 3678 PWs) bands (ev): -24.7101 -24.7101 -24.7052 -24.7052 -12.9335 -12.9335 -12.4437 -12.4437 -8.4395 -8.4395 -8.4243 -8.4243 -8.2238 -8.2238 -8.1562 -8.1562 -8.1088 -8.1088 -8.0583 -8.0583 -0.2288 -0.2288 0.7867 0.7867 0.9540 0.9540 1.7619 1.7619 2.0777 2.0777 2.1829 2.1829 3.4712 3.4712 3.6295 3.6295 4.0694 4.0694 4.6618 4.6618 4.7945 4.7945 8.1408 8.1408 9.6818 9.6818 10.4115 10.4115 k = 0.1062 0.4390 0.8924 ( 3682 PWs) bands (ev): -24.7096 -24.7096 -24.7047 -24.7047 -12.9300 -12.9300 -12.4397 -12.4397 -8.4445 -8.4445 -8.4297 -8.4297 -8.2298 -8.2298 -8.1605 -8.1605 -8.1140 -8.1140 -8.0625 -8.0625 -0.2289 -0.2289 0.7959 0.7959 0.9534 0.9534 1.7795 1.7795 2.0792 2.0792 2.1774 2.1774 3.4766 3.4766 3.6400 3.6400 4.0819 4.0819 4.6688 4.6688 4.7955 4.7955 8.1686 8.1686 9.6336 9.6336 10.3975 10.3975 k = 0.1125 0.4246 0.9080 ( 3682 PWs) bands (ev): -24.7090 -24.7090 -24.7041 -24.7041 -12.9264 -12.9264 -12.4357 -12.4357 -8.4497 -8.4497 -8.4354 -8.4354 -8.2354 -8.2354 -8.1650 -8.1650 -8.1192 -8.1192 -8.0668 -8.0668 -0.2289 -0.2289 0.8051 0.8051 0.9528 0.9528 1.7974 1.7974 2.0807 2.0807 2.1721 2.1721 3.4801 3.4801 3.6517 3.6517 4.0959 4.0959 4.6760 4.6760 4.7967 4.7967 8.1973 8.1973 9.5823 9.5823 10.3837 10.3837 k = 0.1187 0.4103 0.9237 ( 3682 PWs) bands (ev): -24.7085 -24.7085 -24.7036 -24.7036 -12.9228 -12.9228 -12.4316 -12.4316 -8.4553 -8.4553 -8.4414 -8.4414 -8.2407 -8.2407 -8.1695 -8.1695 -8.1242 -8.1242 -8.0712 -8.0712 -0.2290 -0.2290 0.8143 0.8143 0.9522 0.9522 1.8155 1.8155 2.0823 2.0823 2.1670 2.1670 3.4821 3.4821 3.6641 3.6641 4.1113 4.1113 4.6832 4.6832 4.7980 4.7980 8.2268 8.2268 9.5284 9.5284 10.3703 10.3703 k = 0.1250 0.3959 0.9393 ( 3690 PWs) bands (ev): -24.7080 -24.7080 -24.7031 -24.7031 -12.9191 -12.9191 -12.4274 -12.4274 -8.4612 -8.4612 -8.4477 -8.4477 -8.2457 -8.2457 -8.1740 -8.1740 -8.1291 -8.1291 -8.0757 -8.0757 -0.2290 -0.2290 0.8236 0.8236 0.9517 0.9517 1.8337 1.8337 2.0839 2.0839 2.1620 2.1620 3.4826 3.4826 3.6767 3.6767 4.1282 4.1282 4.6904 4.6904 4.7993 4.7993 8.2569 8.2569 9.4725 9.4725 10.3578 10.3578 k = 0.1313 0.3816 0.9550 ( 3688 PWs) bands (ev): -24.7074 -24.7074 -24.7025 -24.7025 -12.9155 -12.9155 -12.4232 -12.4232 -8.4672 -8.4672 -8.4542 -8.4542 -8.2502 -8.2502 -8.1786 -8.1786 -8.1338 -8.1338 -8.0803 -8.0803 -0.2290 -0.2290 0.8327 0.8327 0.9513 0.9513 1.8518 1.8518 2.0854 2.0854 2.1573 2.1573 3.4822 3.4822 3.6892 3.6892 4.1464 4.1464 4.6976 4.6976 4.8007 4.8007 8.2875 8.2875 9.4152 9.4152 10.3463 10.3463 k = 0.1375 0.3672 0.9706 ( 3682 PWs) bands (ev): -24.7069 -24.7069 -24.7020 -24.7020 -12.9118 -12.9118 -12.4191 -12.4191 -8.4734 -8.4734 -8.4610 -8.4610 -8.2544 -8.2544 -8.1833 -8.1833 -8.1382 -8.1382 -8.0848 -8.0848 -0.2291 -0.2291 0.8417 0.8417 0.9509 0.9509 1.8698 1.8698 2.0870 2.0870 2.1529 2.1529 3.4810 3.4810 3.7013 3.7013 4.1660 4.1660 4.7047 4.7047 4.8022 4.8022 8.3184 8.3184 9.3570 9.3570 10.3362 10.3362 k = 0.1437 0.3529 0.9863 ( 3686 PWs) bands (ev): -24.7063 -24.7063 -24.7015 -24.7015 -12.9082 -12.9082 -12.4149 -12.4149 -8.4797 -8.4797 -8.4679 -8.4679 -8.2581 -8.2581 -8.1880 -8.1880 -8.1423 -8.1423 -8.0894 -8.0894 -0.2291 -0.2291 0.8504 0.8504 0.9506 0.9506 1.8875 1.8875 2.0885 2.0885 2.1486 2.1486 3.4793 3.4793 3.7128 3.7128 4.1868 4.1868 4.7116 4.7116 4.8038 4.8038 8.3493 8.3493 9.2986 9.2986 10.3277 10.3277 k = 0.1500 0.3385 1.0020 ( 3696 PWs) bands (ev): -24.7058 -24.7058 -24.7010 -24.7010 -12.9047 -12.9047 -12.4109 -12.4109 -8.4861 -8.4861 -8.4748 -8.4748 -8.2615 -8.2615 -8.1928 -8.1928 -8.1461 -8.1461 -8.0939 -8.0939 -0.2291 -0.2291 0.8589 0.8589 0.9504 0.9504 1.9048 1.9048 2.0901 2.0901 2.1447 2.1447 3.4770 3.4770 3.7233 3.7233 4.2085 4.2085 4.7182 4.7182 4.8055 4.8055 8.3801 8.3801 9.2405 9.2405 10.3212 10.3212 k = 0.1562 0.3242 1.0176 ( 3694 PWs) bands (ev): -24.7053 -24.7053 -24.7005 -24.7005 -12.9012 -12.9012 -12.4069 -12.4069 -8.4924 -8.4924 -8.4818 -8.4818 -8.2646 -8.2646 -8.1976 -8.1976 -8.1496 -8.1496 -8.0983 -8.0983 -0.2292 -0.2292 0.8670 0.8670 0.9503 0.9503 1.9216 1.9216 2.0916 2.0916 2.1410 2.1410 3.4746 3.4746 3.7331 3.7331 4.2310 4.2310 4.7246 4.7246 4.8072 4.8072 8.4104 8.4104 9.1830 9.1830 10.3170 10.3170 k = 0.1625 0.3098 1.0333 ( 3692 PWs) bands (ev): -24.7048 -24.7048 -24.7000 -24.7000 -12.8978 -12.8978 -12.4030 -12.4030 -8.4986 -8.4986 -8.4887 -8.4887 -8.2673 -8.2673 -8.2024 -8.2024 -8.1527 -8.1527 -8.1026 -8.1026 -0.2292 -0.2292 0.8748 0.8748 0.9503 0.9503 1.9378 1.9378 2.0930 2.0930 2.1376 2.1376 3.4719 3.4719 3.7419 3.7419 4.2539 4.2539 4.7307 4.7307 4.8091 4.8091 8.4402 8.4402 9.1268 9.1268 10.3153 10.3153 k = 0.1688 0.2955 1.0489 ( 3694 PWs) bands (ev): -24.7044 -24.7044 -24.6995 -24.6995 -12.8946 -12.8946 -12.3993 -12.3993 -8.5047 -8.5047 -8.4955 -8.4955 -8.2696 -8.2696 -8.2072 -8.2072 -8.1554 -8.1554 -8.1067 -8.1067 -0.2292 -0.2292 0.8820 0.8820 0.9505 0.9505 1.9533 1.9533 2.0945 2.0945 2.1345 2.1345 3.4692 3.4692 3.7498 3.7498 4.2771 4.2771 4.7365 4.7365 4.8110 4.8110 8.4690 8.4690 9.0722 9.0722 10.3164 10.3164 k = 0.1750 0.2811 1.0646 ( 3694 PWs) bands (ev): -24.7039 -24.7039 -24.6991 -24.6991 -12.8915 -12.8915 -12.3958 -12.3958 -8.5106 -8.5106 -8.5022 -8.5022 -8.2717 -8.2717 -8.2119 -8.2119 -8.1578 -8.1578 -8.1106 -8.1106 -0.2292 -0.2292 0.8888 0.8888 0.9508 0.9508 1.9679 1.9679 2.0959 2.0959 2.1317 2.1317 3.4664 3.4664 3.7569 3.7569 4.3001 4.3001 4.7419 4.7419 4.8130 4.8130 8.4968 8.4968 9.0197 9.0197 10.3205 10.3205 k = 0.1812 0.2667 1.0802 ( 3686 PWs) bands (ev): -24.7035 -24.7035 -24.6986 -24.6986 -12.8885 -12.8885 -12.3924 -12.3924 -8.5162 -8.5162 -8.5085 -8.5085 -8.2735 -8.2735 -8.2165 -8.2165 -8.1599 -8.1599 -8.1143 -8.1143 -0.2291 -0.2291 0.8950 0.8950 0.9513 0.9513 1.9816 1.9816 2.0973 2.0973 2.1292 2.1292 3.4637 3.4637 3.7632 3.7632 4.3228 4.3228 4.7469 4.7469 4.8150 4.8150 8.5232 8.5232 8.9697 8.9697 10.3277 10.3277 k = 0.1875 0.2524 1.0959 ( 3692 PWs) bands (ev): -24.7031 -24.7031 -24.6982 -24.6982 -12.8858 -12.8858 -12.3892 -12.3892 -8.5215 -8.5215 -8.5146 -8.5146 -8.2750 -8.2750 -8.2210 -8.2210 -8.1617 -8.1617 -8.1177 -8.1177 -0.2291 -0.2291 0.9005 0.9005 0.9519 0.9519 1.9942 1.9942 2.0987 2.0987 2.1270 2.1270 3.4610 3.4610 3.7686 3.7686 4.3447 4.3447 4.7514 4.7514 4.8170 4.8170 8.5480 8.5480 8.9226 8.9226 10.3381 10.3381 k = 0.1938 0.2380 1.1115 ( 3696 PWs) bands (ev): -24.7027 -24.7027 -24.6979 -24.6979 -12.8832 -12.8832 -12.3863 -12.3863 -8.5265 -8.5265 -8.5202 -8.5202 -8.2763 -8.2763 -8.2252 -8.2252 -8.1633 -8.1633 -8.1209 -8.1209 -0.2291 -0.2291 0.9054 0.9054 0.9528 0.9528 2.0058 2.0058 2.1000 2.1000 2.1251 2.1251 3.4584 3.4584 3.7734 3.7734 4.3656 4.3656 4.7556 4.7556 4.8190 4.8190 8.5711 8.5711 8.8787 8.8787 10.3517 10.3517 k = 0.2000 0.2237 1.1272 ( 3698 PWs) bands (ev): -24.7024 -24.7024 -24.6975 -24.6975 -12.8809 -12.8809 -12.3837 -12.3837 -8.5310 -8.5310 -8.5255 -8.5255 -8.2773 -8.2773 -8.2292 -8.2292 -8.1646 -8.1646 -8.1238 -8.1238 -0.2291 -0.2291 0.9095 0.9095 0.9537 0.9537 2.0161 2.0161 2.1012 2.1012 2.1237 2.1237 3.4560 3.4560 3.7775 3.7775 4.3851 4.3851 4.7593 4.7593 4.8208 4.8208 8.5921 8.5921 8.8384 8.8384 10.3684 10.3684 k = 0.2062 0.2093 1.1429 ( 3700 PWs) bands (ev): -24.7021 -24.7021 -24.6972 -24.6972 -12.8788 -12.8788 -12.3812 -12.3812 -8.5351 -8.5351 -8.5303 -8.5303 -8.2781 -8.2781 -8.2329 -8.2329 -8.1656 -8.1656 -8.1265 -8.1265 -0.2291 -0.2291 0.9131 0.9131 0.9548 0.9548 2.0251 2.0251 2.1024 2.1024 2.1225 2.1225 3.4539 3.4539 3.7810 3.7810 4.4031 4.4031 4.7626 4.7626 4.8226 4.8226 8.6109 8.6109 8.8022 8.8022 10.3880 10.3880 k = 0.2125 0.1950 1.1585 ( 3702 PWs) bands (ev): -24.7018 -24.7018 -24.6970 -24.6970 -12.8770 -12.8770 -12.3791 -12.3791 -8.5387 -8.5387 -8.5345 -8.5345 -8.2788 -8.2788 -8.2363 -8.2363 -8.1665 -8.1665 -8.1288 -8.1288 -0.2291 -0.2291 0.9159 0.9159 0.9560 0.9560 2.0329 2.0329 2.1033 2.1033 2.1218 2.1218 3.4520 3.4520 3.7840 3.7840 4.4193 4.4193 4.7654 4.7654 4.8242 4.8242 8.6273 8.6273 8.7703 8.7703 10.4101 10.4101 k = 0.2188 0.1806 1.1742 ( 3704 PWs) bands (ev): -24.7016 -24.7016 -24.6968 -24.6968 -12.8754 -12.8754 -12.3773 -12.3773 -8.5417 -8.5417 -8.5382 -8.5382 -8.2792 -8.2792 -8.2393 -8.2393 -8.1672 -8.1672 -8.1307 -8.1307 -0.2291 -0.2291 0.9182 0.9182 0.9572 0.9572 2.0394 2.0394 2.1041 2.1041 2.1215 2.1215 3.4503 3.4503 3.7864 3.7864 4.4333 4.4333 4.7678 4.7678 4.8256 4.8256 8.6410 8.6410 8.7431 8.7431 10.4338 10.4338 k = 0.2250 0.1663 1.1898 ( 3704 PWs) bands (ev): -24.7014 -24.7014 -24.6966 -24.6966 -12.8741 -12.8741 -12.3758 -12.3758 -8.5442 -8.5442 -8.5413 -8.5413 -8.2795 -8.2795 -8.2418 -8.2418 -8.1678 -8.1678 -8.1324 -8.1324 -0.2291 -0.2291 0.9200 0.9200 0.9584 0.9584 2.0446 2.0446 2.1046 2.1046 2.1215 2.1215 3.4488 3.4488 3.7884 3.7884 4.4451 4.4451 4.7699 4.7699 4.8269 4.8269 8.6518 8.6518 8.7210 8.7210 10.4582 10.4582 k = 0.2313 0.1519 1.2055 ( 3702 PWs) bands (ev): -24.7013 -24.7013 -24.6964 -24.6964 -12.8731 -12.8731 -12.3746 -12.3746 -8.5461 -8.5461 -8.5439 -8.5439 -8.2797 -8.2797 -8.2438 -8.2438 -8.1682 -8.1682 -8.1337 -8.1337 -0.2291 -0.2291 0.9213 0.9213 0.9593 0.9593 2.0485 2.0485 2.1049 2.1049 2.1216 2.1216 3.4477 3.4477 3.7899 3.7899 4.4545 4.4545 4.7715 4.7715 4.8278 4.8278 8.6591 8.6591 8.7048 8.7048 10.4816 10.4816 k = 0.2375 0.1376 1.2211 ( 3702 PWs) bands (ev): -24.7011 -24.7011 -24.6963 -24.6963 -12.8723 -12.8723 -12.3738 -12.3738 -8.5474 -8.5474 -8.5457 -8.5457 -8.2798 -8.2798 -8.2453 -8.2453 -8.1685 -8.1685 -8.1346 -8.1346 -0.2291 -0.2291 0.9222 0.9222 0.9601 0.9601 2.0513 2.0513 2.1051 2.1051 2.1219 2.1219 3.4469 3.4469 3.7909 3.7909 4.4612 4.4612 4.7726 4.7726 4.8285 4.8285 8.6623 8.6623 8.6951 8.6951 10.5016 10.5016 k = 0.2437 0.1232 1.2368 ( 3702 PWs) bands (ev): -24.7011 -24.7011 -24.6963 -24.6963 -12.8719 -12.8719 -12.3733 -12.3733 -8.5481 -8.5481 -8.5469 -8.5469 -8.2799 -8.2799 -8.2462 -8.2462 -8.1686 -8.1686 -8.1351 -8.1351 -0.2291 -0.2291 0.9227 0.9227 0.9605 0.9605 2.0529 2.0529 2.1052 2.1052 2.1221 2.1221 3.4465 3.4465 3.7916 3.7916 4.4653 4.4653 4.7733 4.7733 4.8289 4.8289 8.6623 8.6623 8.6913 8.6913 10.5154 10.5154 k = 0.2500 0.1089 1.2524 ( 3696 PWs) bands (ev): -24.7010 -24.7010 -24.6962 -24.6962 -12.8717 -12.8717 -12.3731 -12.3731 -8.5483 -8.5483 -8.5473 -8.5473 -8.2799 -8.2799 -8.2465 -8.2465 -8.1687 -8.1687 -8.1353 -8.1353 -0.2290 -0.2290 0.9228 0.9228 0.9607 0.9607 2.0535 2.0535 2.1053 2.1053 2.1222 2.1222 3.4463 3.4463 3.7918 3.7918 4.4667 4.4667 4.7735 4.7735 4.8291 4.8291 8.6617 8.6617 8.6905 8.6905 10.5203 10.5203 k = 0.2500 0.1089 1.2524 ( 3696 PWs) bands (ev): -24.7010 -24.7010 -24.6962 -24.6962 -12.8717 -12.8717 -12.3731 -12.3731 -8.5483 -8.5483 -8.5473 -8.5473 -8.2799 -8.2799 -8.2465 -8.2465 -8.1687 -8.1687 -8.1353 -8.1353 -0.2290 -0.2290 0.9228 0.9228 0.9607 0.9607 2.0535 2.0535 2.1053 2.1053 2.1222 2.1222 3.4463 3.4463 3.7918 3.7918 4.4667 4.4667 4.7735 4.7735 4.8291 4.8291 8.6617 8.6617 8.6905 8.6905 10.5203 10.5203 k = 0.2679 0.1166 1.2440 ( 3697 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3731 -12.3731 -8.5483 -8.5483 -8.5473 -8.5473 -8.2799 -8.2799 -8.2465 -8.2465 -8.1686 -8.1686 -8.1352 -8.1352 -0.2291 -0.2291 0.9228 0.9228 0.9607 0.9607 2.0535 2.0535 2.1052 2.1052 2.1222 2.1222 3.4463 3.4463 3.7918 3.7918 4.4665 4.4665 4.7730 4.7730 4.8296 4.8296 8.6371 8.6371 8.7167 8.7167 10.5177 10.5177 k = 0.2857 0.1244 1.2355 ( 3697 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3732 -12.3732 -8.5482 -8.5482 -8.5471 -8.5471 -8.2799 -8.2799 -8.2466 -8.2466 -8.1686 -8.1686 -8.1350 -8.1350 -0.2292 -0.2292 0.9227 0.9227 0.9607 0.9607 2.0536 2.0536 2.1050 2.1050 2.1224 2.1224 3.4462 3.4462 3.7917 3.7917 4.4659 4.4659 4.7716 4.7716 4.8309 4.8309 8.6040 8.6040 8.7541 8.7541 10.5101 10.5101 k = 0.3036 0.1322 1.2270 ( 3702 PWs) bands (ev): -24.7011 -24.7011 -24.6963 -24.6963 -12.8720 -12.8720 -12.3733 -12.3733 -8.5480 -8.5480 -8.5469 -8.5469 -8.2799 -8.2799 -8.2467 -8.2467 -8.1685 -8.1685 -8.1346 -8.1346 -0.2294 -0.2294 0.9224 0.9224 0.9607 0.9607 2.0537 2.0537 2.1046 2.1046 2.1226 2.1226 3.4461 3.4461 3.7915 3.7915 4.4648 4.4648 4.7695 4.7695 4.8330 4.8330 8.5723 8.5723 8.7928 8.7928 10.4985 10.4985 k = 0.3214 0.1400 1.2185 ( 3706 PWs) bands (ev): -24.7011 -24.7011 -24.6963 -24.6963 -12.8721 -12.8721 -12.3735 -12.3735 -8.5478 -8.5478 -8.5465 -8.5465 -8.2798 -8.2798 -8.2468 -8.2468 -8.1683 -8.1683 -8.1341 -8.1341 -0.2297 -0.2297 0.9222 0.9222 0.9606 0.9606 2.0538 2.0538 2.1040 2.1040 2.1230 2.1230 3.4460 3.4460 3.7912 3.7912 4.4633 4.4633 4.7669 4.7669 4.8355 4.8355 8.5430 8.5430 8.8313 8.8313 10.4842 10.4842 k = 0.3393 0.1477 1.2100 ( 3708 PWs) bands (ev): -24.7011 -24.7011 -24.6964 -24.6964 -12.8723 -12.8723 -12.3737 -12.3737 -8.5475 -8.5475 -8.5460 -8.5460 -8.2798 -8.2798 -8.2468 -8.2468 -8.1681 -8.1681 -8.1335 -8.1335 -0.2300 -0.2300 0.9219 0.9219 0.9605 0.9605 2.0540 2.0540 2.1033 2.1033 2.1234 2.1234 3.4459 3.4459 3.7909 3.7909 4.4614 4.4614 4.7639 4.7639 4.8384 4.8384 8.5164 8.5164 8.8691 8.8691 10.4685 10.4685 k = 0.3571 0.1555 1.2016 ( 3704 PWs) bands (ev): -24.7011 -24.7011 -24.6964 -24.6964 -12.8726 -12.8726 -12.3739 -12.3739 -8.5472 -8.5472 -8.5453 -8.5453 -8.2797 -8.2797 -8.2468 -8.2468 -8.1678 -8.1678 -8.1328 -8.1328 -0.2304 -0.2304 0.9215 0.9215 0.9604 0.9604 2.0544 2.0544 2.1022 2.1022 2.1239 2.1239 3.4458 3.4458 3.7905 3.7905 4.4591 4.4591 4.7607 4.7607 4.8413 4.8413 8.4926 8.4926 8.9051 8.9051 10.4526 10.4526 k = 0.3750 0.1633 1.1931 ( 3706 PWs) bands (ev): -24.7011 -24.7011 -24.6965 -24.6965 -12.8729 -12.8729 -12.3742 -12.3742 -8.5469 -8.5469 -8.5445 -8.5445 -8.2796 -8.2796 -8.2467 -8.2467 -8.1676 -8.1676 -8.1321 -8.1321 -0.2307 -0.2307 0.9212 0.9212 0.9602 0.9602 2.0547 2.0547 2.1008 2.1008 2.1244 2.1244 3.4457 3.4457 3.7901 3.7901 4.4564 4.4564 4.7574 4.7574 4.8443 4.8443 8.4720 8.4720 8.9387 8.9387 10.4380 10.4380 k = 0.3929 0.1711 1.1846 ( 3704 PWs) bands (ev): -24.7011 -24.7011 -24.6966 -24.6966 -12.8733 -12.8733 -12.3745 -12.3745 -8.5465 -8.5465 -8.5435 -8.5435 -8.2795 -8.2795 -8.2465 -8.2465 -8.1673 -8.1673 -8.1314 -8.1314 -0.2311 -0.2311 0.9208 0.9208 0.9599 0.9599 2.0553 2.0553 2.0991 2.0991 2.1250 2.1250 3.4457 3.4457 3.7896 3.7896 4.4533 4.4533 4.7542 4.7542 4.8470 4.8470 8.4546 8.4546 8.9689 8.9689 10.4258 10.4258 k = 0.4107 0.1788 1.1761 ( 3702 PWs) bands (ev): -24.7011 -24.7011 -24.6967 -24.6967 -12.8737 -12.8737 -12.3749 -12.3749 -8.5461 -8.5461 -8.5424 -8.5424 -8.2794 -8.2794 -8.2461 -8.2461 -8.1669 -8.1669 -8.1308 -8.1308 -0.2315 -0.2315 0.9204 0.9204 0.9595 0.9595 2.0559 2.0559 2.0970 2.0970 2.1256 2.1256 3.4457 3.4457 3.7890 3.7890 4.4499 4.4499 4.7512 4.7512 4.8495 4.8495 8.4406 8.4406 8.9949 8.9949 10.4171 10.4171 k = 0.4286 0.1866 1.1676 ( 3693 PWs) bands (ev): -24.7010 -24.7010 -24.6969 -24.6969 -12.8741 -12.8741 -12.3753 -12.3753 -8.5457 -8.5457 -8.5411 -8.5411 -8.2792 -8.2792 -8.2456 -8.2456 -8.1666 -8.1666 -8.1301 -8.1301 -0.2318 -0.2318 0.9201 0.9201 0.9591 0.9591 2.0566 2.0566 2.0944 2.0944 2.1262 2.1262 3.4459 3.4459 3.7884 3.7884 4.4462 4.4462 4.7484 4.7484 4.8517 4.8517 8.4301 8.4301 9.0157 9.0157 10.4128 10.4128 k = 0.4464 0.1944 1.1592 ( 3695 PWs) bands (ev): -24.7010 -24.7010 -24.6970 -24.6970 -12.8746 -12.8746 -12.3758 -12.3758 -8.5452 -8.5452 -8.5397 -8.5397 -8.2791 -8.2791 -8.2449 -8.2449 -8.1662 -8.1662 -8.1296 -8.1296 -0.2320 -0.2320 0.9197 0.9197 0.9586 0.9586 2.0574 2.0574 2.0915 2.0915 2.1268 2.1268 3.4461 3.4461 3.7878 3.7878 4.4421 4.4421 4.7458 4.7458 4.8534 4.8534 8.4231 8.4231 9.0308 9.0308 10.4135 10.4135 k = 0.4643 0.2022 1.1507 ( 3692 PWs) bands (ev): -24.7010 -24.7010 -24.6972 -24.6972 -12.8751 -12.8751 -12.3763 -12.3763 -8.5447 -8.5447 -8.5382 -8.5382 -8.2789 -8.2789 -8.2440 -8.2440 -8.1659 -8.1659 -8.1291 -8.1291 -0.2323 -0.2323 0.9193 0.9193 0.9580 0.9580 2.0582 2.0582 2.0883 2.0883 2.1275 2.1275 3.4465 3.4465 3.7870 3.7870 4.4376 4.4376 4.7435 4.7435 4.8547 4.8547 8.4198 8.4198 9.0397 9.0397 10.4189 10.4189 k = 0.4821 0.2099 1.1422 ( 3688 PWs) bands (ev): -24.7009 -24.7009 -24.6974 -24.6974 -12.8757 -12.8757 -12.3769 -12.3769 -8.5441 -8.5441 -8.5365 -8.5365 -8.2786 -8.2786 -8.2429 -8.2429 -8.1656 -8.1656 -8.1286 -8.1286 -0.2324 -0.2324 0.9189 0.9189 0.9573 0.9573 2.0587 2.0587 2.0849 2.0849 2.1281 2.1281 3.4469 3.4469 3.7862 3.7862 4.4328 4.4328 4.7415 4.7415 4.8555 4.8555 8.4202 8.4202 9.0421 9.0421 10.4265 10.4265 k = 0.5000 0.2177 1.1337 ( 3686 PWs) bands (ev): -24.7009 -24.7009 -24.6976 -24.6976 -12.8763 -12.8763 -12.3775 -12.3775 -8.5435 -8.5435 -8.5347 -8.5347 -8.2784 -8.2784 -8.2417 -8.2417 -8.1653 -8.1653 -8.1281 -8.1281 -0.2324 -0.2324 0.9184 0.9184 0.9566 0.9566 2.0587 2.0587 2.0818 2.0818 2.1287 2.1287 3.4475 3.4475 3.7854 3.7854 4.4275 4.4275 4.7399 4.7399 4.8557 4.8557 8.4243 8.4243 9.0382 9.0382 10.4312 10.4312 k = 0.5000 0.2177 1.1337 ( 3686 PWs) bands (ev): -24.7009 -24.7009 -24.6976 -24.6976 -12.8763 -12.8763 -12.3775 -12.3775 -8.5435 -8.5435 -8.5347 -8.5347 -8.2784 -8.2784 -8.2417 -8.2417 -8.1653 -8.1653 -8.1281 -8.1281 -0.2324 -0.2324 0.9184 0.9184 0.9566 0.9566 2.0587 2.0587 2.0818 2.0818 2.1287 2.1287 3.4475 3.4475 3.7854 3.7854 4.4275 4.4275 4.7399 4.7399 4.8557 4.8557 8.4243 8.4243 9.0382 9.0382 10.4312 10.4312 k = 0.5000 0.2177 1.1115 ( 3694 PWs) bands (ev): -24.7009 -24.7009 -24.6981 -24.6981 -12.8781 -12.8781 -12.3792 -12.3792 -8.5417 -8.5417 -8.5294 -8.5294 -8.2775 -8.2775 -8.2381 -8.2381 -8.1645 -8.1645 -8.1269 -8.1269 -0.2324 -0.2324 0.9167 0.9167 0.9548 0.9548 2.0573 2.0573 2.0737 2.0737 2.1304 2.1304 3.4494 3.4494 3.7830 3.7830 4.4122 4.4122 4.7359 4.7359 4.8556 4.8556 8.4413 8.4413 9.0189 9.0189 10.4364 10.4364 k = 0.5000 0.2177 1.0893 ( 3688 PWs) bands (ev): -24.7008 -24.7008 -24.6987 -24.6987 -12.8800 -12.8800 -12.3813 -12.3813 -8.5397 -8.5397 -8.5234 -8.5234 -8.2763 -8.2763 -8.2341 -8.2341 -8.1637 -8.1637 -8.1254 -8.1254 -0.2324 -0.2324 0.9144 0.9144 0.9532 0.9532 2.0556 2.0556 2.0647 2.0647 2.1325 2.1325 3.4516 3.4516 3.7802 3.7802 4.3943 4.3943 4.7315 4.7315 4.8555 4.8555 8.4612 8.4612 8.9984 8.9984 10.4419 10.4419 k = 0.5000 0.2177 1.0670 ( 3688 PWs) bands (ev): -24.7008 -24.7008 -24.6994 -24.6994 -12.8823 -12.8823 -12.3835 -12.3835 -8.5374 -8.5374 -8.5167 -8.5167 -8.2747 -8.2747 -8.2299 -8.2299 -8.1628 -8.1628 -8.1234 -8.1234 -0.2324 -0.2324 0.9114 0.9114 0.9521 0.9521 2.0519 2.0519 2.0563 2.0563 2.1350 2.1350 3.4540 3.4540 3.7770 3.7770 4.3740 4.3740 4.7267 4.7267 4.8555 4.8555 8.4839 8.4839 8.9771 8.9771 10.4475 10.4475 k = 0.5000 0.2177 1.0448 ( 3688 PWs) bands (ev): -24.7007 -24.7007 -24.7002 -24.7002 -12.8847 -12.8847 -12.3860 -12.3860 -8.5348 -8.5348 -8.5095 -8.5095 -8.2729 -8.2729 -8.2253 -8.2253 -8.1619 -8.1619 -8.1211 -8.1211 -0.2324 -0.2324 0.9074 0.9074 0.9514 0.9514 2.0421 2.0421 2.0530 2.0530 2.1380 2.1380 3.4566 3.4566 3.7735 3.7735 4.3514 4.3514 4.7215 4.7215 4.8555 4.8555 8.5095 8.5095 8.9557 8.9557 10.4530 10.4530 k = 0.5000 0.2177 1.0226 ( 3704 PWs) bands (ev): -24.7012 -24.7012 -24.7006 -24.7006 -12.8874 -12.8874 -12.3886 -12.3886 -8.5321 -8.5321 -8.5019 -8.5019 -8.2709 -8.2709 -8.2206 -8.2206 -8.1610 -8.1610 -8.1185 -8.1185 -0.2324 -0.2324 0.9027 0.9027 0.9512 0.9512 2.0305 2.0305 2.0507 2.0507 2.1413 2.1413 3.4593 3.4593 3.7697 3.7697 4.3266 4.3266 4.7160 4.7160 4.8555 4.8555 8.5378 8.5378 8.9346 8.9346 10.4580 10.4580 k = 0.5000 0.2177 1.0003 ( 3708 PWs) bands (ev): -24.7021 -24.7021 -24.7005 -24.7005 -12.8901 -12.8901 -12.3913 -12.3913 -8.5291 -8.5291 -8.4939 -8.4939 -8.2686 -8.2686 -8.2155 -8.2155 -8.1599 -8.1599 -8.1154 -8.1154 -0.2324 -0.2324 0.8974 0.8974 0.9516 0.9516 2.0183 2.0183 2.0483 2.0483 2.1450 2.1450 3.4622 3.4622 3.7655 3.7655 4.2997 4.2997 4.7105 4.7105 4.8557 4.8557 8.5689 8.5689 8.9142 8.9142 10.4623 10.4623 k = 0.5000 0.2177 0.9781 ( 3704 PWs) bands (ev): -24.7032 -24.7032 -24.7004 -24.7004 -12.8931 -12.8931 -12.3941 -12.3941 -8.5259 -8.5259 -8.4857 -8.4857 -8.2662 -8.2662 -8.2102 -8.2102 -8.1587 -8.1587 -8.1120 -8.1120 -0.2324 -0.2324 0.8915 0.8915 0.9525 0.9525 2.0059 2.0059 2.0459 2.0459 2.1491 2.1491 3.4653 3.4653 3.7611 3.7611 4.2708 4.2708 4.7049 4.7049 4.8559 4.8559 8.6027 8.6027 8.8947 8.8947 10.4654 10.4654 k = 0.5000 0.2177 0.9559 ( 3704 PWs) bands (ev): -24.7043 -24.7043 -24.7003 -24.7003 -12.8961 -12.8961 -12.3970 -12.3970 -8.5226 -8.5226 -8.4773 -8.4773 -8.2639 -8.2639 -8.2046 -8.2046 -8.1573 -8.1573 -8.1083 -8.1083 -0.2323 -0.2323 0.8852 0.8852 0.9537 0.9537 1.9933 1.9933 2.0432 2.0432 2.1535 2.1535 3.4685 3.4685 3.7565 3.7565 4.2401 4.2401 4.6994 4.6994 4.8562 4.8562 8.6391 8.6391 8.8764 8.8764 10.4668 10.4668 k = 0.5000 0.2177 0.9337 ( 3692 PWs) bands (ev): -24.7055 -24.7055 -24.7002 -24.7002 -12.8991 -12.8991 -12.3999 -12.3999 -8.5192 -8.5192 -8.4689 -8.4689 -8.2616 -8.2616 -8.1986 -8.1986 -8.1556 -8.1556 -8.1044 -8.1044 -0.2323 -0.2323 0.8788 0.8788 0.9553 0.9553 1.9809 1.9809 2.0405 2.0405 2.1584 2.1584 3.4719 3.4719 3.7517 3.7517 4.2078 4.2078 4.6940 4.6940 4.8566 4.8566 8.6782 8.6782 8.8596 8.8596 10.4659 10.4659 k = 0.5000 0.2177 0.9114 ( 3704 PWs) bands (ev): -24.7068 -24.7068 -24.7001 -24.7001 -12.9023 -12.9023 -12.4028 -12.4028 -8.5156 -8.5156 -8.4605 -8.4605 -8.2595 -8.2595 -8.1924 -8.1924 -8.1535 -8.1535 -8.1005 -8.1005 -0.2323 -0.2323 0.8722 0.8722 0.9572 0.9572 1.9688 1.9688 2.0376 2.0376 2.1636 2.1636 3.4751 3.4751 3.7466 3.7466 4.1738 4.1738 4.6887 4.6887 4.8571 4.8571 8.7197 8.7197 8.8445 8.8445 10.4623 10.4623 k = 0.5000 0.2177 0.8892 ( 3700 PWs) bands (ev): -24.7081 -24.7081 -24.7000 -24.7000 -12.9054 -12.9054 -12.4056 -12.4056 -8.5120 -8.5120 -8.4522 -8.4522 -8.2576 -8.2576 -8.1859 -8.1859 -8.1510 -8.1510 -8.0964 -8.0964 -0.2322 -0.2322 0.8656 0.8656 0.9594 0.9594 1.9572 1.9572 2.0346 2.0346 2.1692 2.1692 3.4784 3.4784 3.7415 3.7415 4.1385 4.1385 4.6838 4.6838 4.8578 4.8578 8.7632 8.7632 8.8315 8.8315 10.4554 10.4554 k = 0.5000 0.2177 0.8670 ( 3696 PWs) bands (ev): -24.7095 -24.7095 -24.6999 -24.6999 -12.9085 -12.9085 -12.4084 -12.4084 -8.5083 -8.5083 -8.4440 -8.4440 -8.2561 -8.2561 -8.1791 -8.1791 -8.1479 -8.1479 -8.0923 -8.0923 -0.2322 -0.2322 0.8593 0.8593 0.9618 0.9618 1.9463 1.9463 2.0315 2.0315 2.1752 2.1752 3.4816 3.4816 3.7363 3.7363 4.1020 4.1020 4.6792 4.6792 4.8585 4.8585 8.8035 8.8035 8.8260 8.8260 10.4446 10.4446 k = 0.5000 0.2177 0.8447 ( 3690 PWs) bands (ev): -24.7109 -24.7109 -24.6998 -24.6998 -12.9116 -12.9116 -12.4111 -12.4111 -8.5046 -8.5046 -8.4360 -8.4360 -8.2549 -8.2549 -8.1723 -8.1723 -8.1441 -8.1441 -8.0884 -8.0884 -0.2322 -0.2322 0.8533 0.8533 0.9645 0.9645 1.9364 1.9364 2.0282 2.0282 2.1816 2.1816 3.4848 3.4848 3.7310 3.7310 4.0645 4.0645 4.6751 4.6751 4.8593 4.8593 8.8051 8.8051 8.8634 8.8634 10.4295 10.4295 k = 0.5000 0.2177 0.8225 ( 3686 PWs) bands (ev): -24.7124 -24.7124 -24.6997 -24.6997 -12.9146 -12.9146 -12.4136 -12.4136 -8.5010 -8.5010 -8.4282 -8.4282 -8.2540 -8.2540 -8.1657 -8.1657 -8.1395 -8.1395 -8.0845 -8.0845 -0.2322 -0.2322 0.8477 0.8477 0.9673 0.9673 1.9275 1.9275 2.0250 2.0250 2.1883 2.1883 3.4878 3.4878 3.7257 3.7257 4.0261 4.0261 4.6715 4.6715 4.8603 4.8603 8.7975 8.7975 8.9141 8.9141 10.4098 10.4098 k = 0.5000 0.2177 0.8003 ( 3682 PWs) bands (ev): -24.7140 -24.7140 -24.6996 -24.6996 -12.9175 -12.9175 -12.4159 -12.4159 -8.4974 -8.4974 -8.4208 -8.4208 -8.2535 -8.2535 -8.1595 -8.1595 -8.1340 -8.1340 -8.0809 -8.0809 -0.2323 -0.2323 0.8426 0.8426 0.9703 0.9703 1.9199 1.9199 2.0216 2.0216 2.1955 2.1955 3.4906 3.4906 3.7204 3.7204 3.9869 3.9869 4.6685 4.6685 4.8614 4.8614 8.7909 8.7909 8.9679 8.9679 10.3852 10.3852 k = 0.5000 0.2177 0.7780 ( 3678 PWs) bands (ev): -24.7156 -24.7156 -24.6995 -24.6995 -12.9203 -12.9203 -12.4181 -12.4181 -8.4939 -8.4939 -8.4136 -8.4136 -8.2532 -8.2532 -8.1538 -8.1538 -8.1274 -8.1274 -8.0775 -8.0775 -0.2324 -0.2324 0.8381 0.8381 0.9735 0.9735 1.9137 1.9137 2.0182 2.0182 2.2030 2.2030 3.4931 3.4931 3.7150 3.7150 3.9472 3.9472 4.6661 4.6661 4.8626 4.8626 8.7857 8.7857 9.0242 9.0242 10.3556 10.3556 k = 0.5000 0.2177 0.7558 ( 3680 PWs) bands (ev): -24.7172 -24.7172 -24.6994 -24.6994 -12.9229 -12.9229 -12.4200 -12.4200 -8.4905 -8.4905 -8.4066 -8.4066 -8.2530 -8.2530 -8.1488 -8.1488 -8.1199 -8.1199 -8.0744 -8.0744 -0.2325 -0.2325 0.8344 0.8344 0.9769 0.9769 1.9090 1.9090 2.0148 2.0148 2.2108 2.2108 3.4954 3.4954 3.7097 3.7097 3.9071 3.9071 4.6643 4.6643 4.8639 4.8639 8.7821 8.7821 9.0828 9.0828 10.3210 10.3210 k = 0.5000 0.2177 0.7336 ( 3684 PWs) bands (ev): -24.7189 -24.7189 -24.6993 -24.6993 -12.9254 -12.9254 -12.4218 -12.4218 -8.4873 -8.4873 -8.4000 -8.4000 -8.2530 -8.2530 -8.1442 -8.1442 -8.1119 -8.1119 -8.0716 -8.0716 -0.2327 -0.2327 0.8314 0.8314 0.9805 0.9805 1.9060 1.9060 2.0114 2.0114 2.2190 2.2190 3.4973 3.4973 3.7043 3.7043 3.8669 3.8669 4.6633 4.6633 4.8653 4.8653 8.7800 8.7800 9.1436 9.1436 10.2816 10.2816 k = 0.5000 0.2177 0.7114 ( 3684 PWs) bands (ev): -24.7206 -24.7206 -24.6992 -24.6992 -12.9277 -12.9277 -12.4232 -12.4232 -8.4843 -8.4843 -8.3937 -8.3937 -8.2531 -8.2531 -8.1399 -8.1399 -8.1036 -8.1036 -8.0691 -8.0691 -0.2330 -0.2330 0.8294 0.8294 0.9842 0.9842 1.9047 1.9047 2.0079 2.0079 2.2276 2.2276 3.4988 3.4988 3.6988 3.6988 3.8269 3.8269 4.6630 4.6630 4.8669 4.8669 8.7794 8.7794 9.2065 9.2065 10.2377 10.2377 k = 0.5000 0.2177 0.6891 ( 3684 PWs) bands (ev): -24.7223 -24.7223 -24.6991 -24.6991 -12.9298 -12.9298 -12.4244 -12.4244 -8.4816 -8.4816 -8.3876 -8.3876 -8.2531 -8.2531 -8.1359 -8.1359 -8.0954 -8.0954 -8.0668 -8.0668 -0.2333 -0.2333 0.8283 0.8283 0.9880 0.9880 1.9053 1.9053 2.0045 2.0045 2.2365 2.2365 3.4999 3.4999 3.6928 3.6928 3.7877 3.7877 4.6635 4.6635 4.8685 4.8685 8.7801 8.7801 9.2714 9.2714 10.1895 10.1895 k = 0.5000 0.2177 0.6669 ( 3682 PWs) bands (ev): -24.7240 -24.7240 -24.6990 -24.6990 -12.9317 -12.9317 -12.4254 -12.4254 -8.4791 -8.4791 -8.3817 -8.3817 -8.2531 -8.2531 -8.1322 -8.1322 -8.0877 -8.0877 -8.0644 -8.0644 -0.2337 -0.2337 0.8282 0.8282 0.9919 0.9919 1.9078 1.9078 2.0010 2.0010 2.2458 2.2458 3.5004 3.5004 3.6851 3.6851 3.7506 3.7506 4.6648 4.6648 4.8703 4.8703 8.7821 8.7821 9.3382 9.3382 10.1376 10.1376 k = 0.5000 0.2177 0.6447 ( 3682 PWs) bands (ev): -24.7258 -24.7258 -24.6989 -24.6989 -12.9334 -12.9334 -12.4260 -12.4260 -8.4769 -8.4769 -8.3761 -8.3761 -8.2530 -8.2530 -8.1287 -8.1287 -8.0811 -8.0811 -8.0615 -8.0615 -0.2342 -0.2342 0.8291 0.8291 0.9960 0.9960 1.9122 1.9122 1.9976 1.9976 2.2553 2.2553 3.5004 3.5004 3.6715 3.6715 3.7200 3.7200 4.6670 4.6670 4.8723 4.8723 8.7852 8.7852 9.4069 9.4069 10.0823 10.0823 k = 0.5000 0.2177 0.6224 ( 3680 PWs) bands (ev): -24.7275 -24.7275 -24.6988 -24.6988 -12.9349 -12.9349 -12.4264 -12.4264 -8.4750 -8.4750 -8.3707 -8.3707 -8.2527 -8.2527 -8.1254 -8.1254 -8.0762 -8.0762 -8.0575 -8.0575 -0.2347 -0.2347 0.8311 0.8311 1.0001 1.0001 1.9187 1.9187 1.9942 1.9942 2.2652 2.2652 3.4997 3.4997 3.6456 3.6456 3.7025 3.7025 4.6700 4.6700 4.8743 4.8743 8.7894 8.7894 9.4773 9.4773 10.0241 10.0241 k = 0.5000 0.2177 0.6002 ( 3690 PWs) bands (ev): -24.7293 -24.7293 -24.6988 -24.6988 -12.9361 -12.9361 -12.4265 -12.4265 -8.4735 -8.4735 -8.3656 -8.3656 -8.2523 -8.2523 -8.1224 -8.1224 -8.0732 -8.0732 -8.0523 -8.0523 -0.2354 -0.2354 0.8342 0.8342 1.0044 1.0044 1.9272 1.9272 1.9908 1.9908 2.2753 2.2753 3.4980 3.4980 3.6114 3.6114 3.6944 3.6944 4.6738 4.6738 4.8764 4.8764 8.7945 8.7945 9.5493 9.5493 9.9634 9.9634 k = 0.5000 0.2177 0.5780 ( 3690 PWs) bands (ev): -24.7310 -24.7310 -24.6987 -24.6987 -12.9371 -12.9371 -12.4263 -12.4263 -8.4723 -8.4723 -8.3607 -8.3607 -8.2516 -8.2516 -8.1198 -8.1198 -8.0718 -8.0718 -8.0463 -8.0463 -0.2361 -0.2361 0.8385 0.8385 1.0087 1.0087 1.9378 1.9378 1.9875 1.9875 2.2857 2.2857 3.4951 3.4951 3.5751 3.5751 3.6899 3.6899 4.6785 4.6785 4.8787 4.8787 8.8004 8.8004 9.6227 9.6227 9.9007 9.9007 k = 0.5000 0.2177 0.5557 ( 3694 PWs) bands (ev): -24.7328 -24.7328 -24.6986 -24.6986 -12.9378 -12.9378 -12.4258 -12.4258 -8.4714 -8.4714 -8.3560 -8.3560 -8.2508 -8.2508 -8.1177 -8.1177 -8.0711 -8.0711 -8.0401 -8.0401 -0.2370 -0.2370 0.8438 0.8438 1.0131 1.0131 1.9503 1.9503 1.9842 1.9842 2.2963 2.2963 3.4894 3.4894 3.5404 3.5404 3.6870 3.6870 4.6841 4.6841 4.8810 4.8810 8.8070 8.8070 9.6973 9.6973 9.8364 9.8364 k = 0.5000 0.2177 0.5335 ( 3696 PWs) bands (ev): -24.7345 -24.7345 -24.6986 -24.6986 -12.9383 -12.9383 -12.4251 -12.4251 -8.4709 -8.4709 -8.3515 -8.3515 -8.2498 -8.2498 -8.1162 -8.1162 -8.0708 -8.0708 -8.0341 -8.0341 -0.2379 -0.2379 0.8502 0.8502 1.0175 1.0175 1.9647 1.9647 1.9809 1.9809 2.3071 2.3071 3.4753 3.4753 3.5136 3.5136 3.6851 3.6851 4.6904 4.6904 4.8835 4.8835 8.8141 8.8141 9.7665 9.7665 9.7776 9.7776 k = 0.5000 0.2177 0.5113 ( 3692 PWs) bands (ev): -24.7362 -24.7362 -24.6985 -24.6985 -12.9386 -12.9386 -12.4241 -12.4241 -8.4706 -8.4706 -8.3472 -8.3472 -8.2486 -8.2486 -8.1153 -8.1153 -8.0706 -8.0706 -8.0285 -8.0285 -0.2389 -0.2389 0.8577 0.8577 1.0220 1.0220 1.9774 1.9774 1.9814 1.9814 2.3181 2.3181 3.4472 3.4472 3.5007 3.5007 3.6839 3.6839 4.6976 4.6976 4.8860 4.8860 8.8217 8.8217 9.7040 9.7040 9.8503 9.8503 k = 0.5000 0.2177 0.4891 ( 3688 PWs) bands (ev): -24.7379 -24.7379 -24.6985 -24.6985 -12.9387 -12.9387 -12.4229 -12.4229 -8.4707 -8.4707 -8.3430 -8.3430 -8.2473 -8.2473 -8.1153 -8.1153 -8.0702 -8.0702 -8.0234 -8.0234 -0.2400 -0.2400 0.8661 0.8661 1.0264 1.0264 1.9743 1.9743 1.9994 1.9994 2.3293 2.3293 3.4129 3.4129 3.4941 3.4941 3.6833 3.6833 4.7055 4.7055 4.8887 4.8887 8.8295 8.8295 9.6371 9.6371 9.9273 9.9273 k = 0.5000 0.2177 0.4668 ( 3684 PWs) bands (ev): -24.7396 -24.7396 -24.6984 -24.6984 -12.9386 -12.9386 -12.4215 -12.4215 -8.4711 -8.4711 -8.3391 -8.3391 -8.2458 -8.2458 -8.1161 -8.1161 -8.0695 -8.0695 -8.0188 -8.0188 -0.2411 -0.2411 0.8755 0.8755 1.0309 1.0309 1.9711 1.9711 2.0192 2.0192 2.3405 2.3405 3.3774 3.3774 3.4889 3.4889 3.6831 3.6831 4.7142 4.7142 4.8914 4.8914 8.8375 8.8375 9.5699 9.5699 10.0038 10.0038 k = 0.5000 0.2177 0.4446 ( 3684 PWs) bands (ev): -24.7412 -24.7412 -24.6984 -24.6984 -12.9383 -12.9383 -12.4198 -12.4198 -8.4717 -8.4717 -8.3353 -8.3353 -8.2443 -8.2443 -8.1177 -8.1177 -8.0685 -8.0685 -8.0147 -8.0147 -0.2423 -0.2423 0.8857 0.8857 1.0355 1.0355 1.9679 1.9679 2.0407 2.0407 2.3517 2.3517 3.3419 3.3419 3.4839 3.4839 3.6833 3.6833 4.7236 4.7236 4.8942 4.8942 8.8455 8.8455 9.5029 9.5029 10.0765 10.0765 k = 0.5000 0.2177 0.4224 ( 3688 PWs) bands (ev): -24.7428 -24.7428 -24.6983 -24.6983 -12.9378 -12.9378 -12.4180 -12.4180 -8.4725 -8.4725 -8.3318 -8.3318 -8.2427 -8.2427 -8.1200 -8.1200 -8.0672 -8.0672 -8.0112 -8.0112 -0.2435 -0.2435 0.8966 0.8966 1.0399 1.0399 1.9648 1.9648 2.0636 2.0636 2.3630 2.3630 3.3068 3.3068 3.4789 3.4789 3.6837 3.6837 4.7335 4.7335 4.8971 4.8971 8.8534 8.8534 9.4364 9.4364 10.1258 10.1258 k = 0.5000 0.2177 0.4001 ( 3688 PWs) bands (ev): -24.7443 -24.7443 -24.6983 -24.6983 -12.9372 -12.9372 -12.4161 -12.4161 -8.4735 -8.4735 -8.3284 -8.3284 -8.2411 -8.2411 -8.1230 -8.1230 -8.0656 -8.0656 -8.0082 -8.0082 -0.2448 -0.2448 0.9082 0.9082 1.0444 1.0444 1.9616 1.9616 2.0878 2.0878 2.3742 2.3742 3.2723 3.2723 3.4739 3.4739 3.6844 3.6844 4.7440 4.7440 4.9000 4.9000 8.8610 8.8610 9.3706 9.3706 10.1091 10.1091 k = 0.5000 0.2177 0.3779 ( 3688 PWs) bands (ev): -24.7458 -24.7458 -24.6983 -24.6983 -12.9364 -12.9364 -12.4140 -12.4140 -8.4747 -8.4747 -8.3252 -8.3252 -8.2395 -8.2395 -8.1263 -8.1263 -8.0639 -8.0639 -8.0057 -8.0057 -0.2461 -0.2461 0.9203 0.9203 1.0488 1.0488 1.9585 1.9585 2.1132 2.1132 2.3854 2.3854 3.2386 3.2386 3.4688 3.4688 3.6853 3.6853 4.7549 4.7549 4.9031 4.9031 8.8683 8.8683 9.3059 9.3059 10.0662 10.0662 k = 0.5000 0.2177 0.3557 ( 3686 PWs) bands (ev): -24.7472 -24.7472 -24.6982 -24.6982 -12.9355 -12.9355 -12.4118 -12.4118 -8.4760 -8.4760 -8.3222 -8.3222 -8.2381 -8.2381 -8.1299 -8.1299 -8.0621 -8.0621 -8.0036 -8.0036 -0.2474 -0.2474 0.9327 0.9327 1.0532 1.0532 1.9554 1.9554 2.1396 2.1396 2.3964 2.3964 3.2056 3.2056 3.4636 3.4636 3.6864 3.6864 4.7661 4.7661 4.9062 4.9062 8.8752 8.8752 9.2426 9.2426 10.0200 10.0200 k = 0.5000 0.2177 0.3334 ( 3682 PWs) bands (ev): -24.7486 -24.7486 -24.6982 -24.6982 -12.9345 -12.9345 -12.4096 -12.4096 -8.4774 -8.4774 -8.3194 -8.3194 -8.2368 -8.2368 -8.1337 -8.1337 -8.0602 -8.0602 -8.0019 -8.0019 -0.2487 -0.2487 0.9454 0.9454 1.0575 1.0575 1.9524 1.9524 2.1668 2.1668 2.4072 2.4072 3.1735 3.1735 3.4584 3.4584 3.6876 3.6876 4.7775 4.7775 4.9094 4.9094 8.8816 8.8816 9.1810 9.1810 9.9743 9.9743 k = 0.5000 0.2177 0.3112 ( 3674 PWs) bands (ev): -24.7498 -24.7498 -24.6982 -24.6982 -12.9334 -12.9334 -12.4073 -12.4073 -8.4789 -8.4789 -8.3168 -8.3168 -8.2356 -8.2356 -8.1375 -8.1375 -8.0584 -8.0584 -8.0006 -8.0006 -0.2500 -0.2500 0.9581 0.9581 1.0617 1.0617 1.9494 1.9494 2.1947 2.1947 2.4178 2.4178 3.1421 3.1421 3.4533 3.4533 3.6888 3.6888 4.7890 4.7890 4.9127 4.9127 8.8874 8.8874 9.1214 9.1214 9.9300 9.9300 k = 0.5000 0.2177 0.2890 ( 3662 PWs) bands (ev): -24.7511 -24.7511 -24.6981 -24.6981 -12.9322 -12.9322 -12.4050 -12.4050 -8.4804 -8.4804 -8.3143 -8.3143 -8.2348 -8.2348 -8.1412 -8.1412 -8.0567 -8.0567 -7.9996 -7.9996 -0.2512 -0.2512 0.9708 0.9708 1.0659 1.0659 1.9464 1.9464 2.2230 2.2230 2.4280 2.4280 3.1116 3.1116 3.4482 3.4482 3.6901 3.6901 4.8005 4.8005 4.9161 4.9161 8.8926 8.8926 9.0641 9.0641 9.8878 9.8878 k = 0.5000 0.2177 0.2668 ( 3654 PWs) bands (ev): -24.7522 -24.7522 -24.6981 -24.6981 -12.9311 -12.9311 -12.4028 -12.4028 -8.4818 -8.4818 -8.3120 -8.3120 -8.2342 -8.2342 -8.1447 -8.1447 -8.0551 -8.0551 -7.9989 -7.9989 -0.2524 -0.2524 0.9831 0.9831 1.0701 1.0701 1.9435 1.9435 2.2515 2.2515 2.4379 2.4379 3.0820 3.0820 3.4433 3.4433 3.6915 3.6915 4.8117 4.8117 4.9195 4.9195 8.8972 8.8972 9.0094 9.0094 9.8477 9.8477 k = 0.5000 0.2177 0.2445 ( 3654 PWs) bands (ev): -24.7533 -24.7533 -24.6981 -24.6981 -12.9299 -12.9299 -12.4006 -12.4006 -8.4833 -8.4833 -8.3099 -8.3099 -8.2339 -8.2339 -8.1480 -8.1480 -8.0536 -8.0536 -7.9984 -7.9984 -0.2535 -0.2535 0.9950 0.9950 1.0742 1.0742 1.9407 1.9407 2.2800 2.2800 2.4473 2.4473 3.0533 3.0533 3.4384 3.4384 3.6927 3.6927 4.8225 4.8225 4.9231 4.9231 8.9011 8.9011 8.9576 8.9576 9.8102 9.8102 k = 0.5000 0.2177 0.2223 ( 3658 PWs) bands (ev): -24.7543 -24.7543 -24.6981 -24.6981 -12.9287 -12.9287 -12.3984 -12.3984 -8.4847 -8.4847 -8.3079 -8.3079 -8.2340 -8.2340 -8.1509 -8.1509 -8.0522 -8.0522 -7.9981 -7.9981 -0.2546 -0.2546 1.0062 1.0062 1.0783 1.0783 1.9380 1.9380 2.3082 2.3082 2.4562 2.4562 3.0256 3.0256 3.4338 3.4338 3.6939 3.6939 4.8327 4.8327 4.9268 4.9268 8.9042 8.9042 8.9093 8.9093 9.7753 9.7753 k = 0.5000 0.2177 0.2001 ( 3642 PWs) bands (ev): -24.7552 -24.7552 -24.6981 -24.6981 -12.9276 -12.9276 -12.3964 -12.3964 -8.4861 -8.4861 -8.3061 -8.3061 -8.2343 -8.2343 -8.1534 -8.1534 -8.0510 -8.0510 -7.9978 -7.9978 -0.2557 -0.2557 1.0167 1.0167 1.0825 1.0825 1.9355 1.9355 2.3359 2.3359 2.4647 2.4647 2.9989 2.9989 3.4295 3.4295 3.6951 3.6951 4.8422 4.8422 4.9307 4.9307 8.8640 8.8640 8.9070 8.9070 9.7433 9.7433 k = 0.5000 0.2177 0.1778 ( 3648 PWs) bands (ev): -24.7560 -24.7560 -24.6981 -24.6981 -12.9265 -12.9265 -12.3945 -12.3945 -8.4874 -8.4874 -8.3045 -8.3045 -8.2349 -8.2349 -8.1555 -8.1555 -8.0500 -8.0500 -7.9977 -7.9977 -0.2566 -0.2566 1.0261 1.0261 1.0866 1.0866 1.9331 1.9331 2.3628 2.3628 2.4725 2.4725 2.9733 2.9733 3.4255 3.4255 3.6962 3.6962 4.8508 4.8508 4.9345 4.9345 8.8228 8.8228 8.9091 8.9091 9.7143 9.7143 k = 0.5000 0.2177 0.1556 ( 3654 PWs) bands (ev): -24.7567 -24.7567 -24.6981 -24.6981 -12.9256 -12.9256 -12.3928 -12.3928 -8.4886 -8.4886 -8.3030 -8.3030 -8.2357 -8.2357 -8.1573 -8.1573 -8.0492 -8.0492 -7.9977 -7.9977 -0.2575 -0.2575 1.0343 1.0343 1.0906 1.0906 1.9309 1.9309 2.3885 2.3885 2.4798 2.4798 2.9490 2.9490 3.4218 3.4218 3.6972 3.6972 4.8584 4.8584 4.9385 4.9385 8.7857 8.7857 8.9107 8.9107 9.6884 9.6884 k = 0.5000 0.2177 0.1334 ( 3654 PWs) bands (ev): -24.7574 -24.7574 -24.6981 -24.6981 -12.9247 -12.9247 -12.3913 -12.3913 -8.4896 -8.4896 -8.3017 -8.3017 -8.2367 -8.2367 -8.1587 -8.1587 -8.0485 -8.0485 -7.9977 -7.9977 -0.2582 -0.2582 1.0413 1.0413 1.0946 1.0946 1.9289 1.9289 2.4125 2.4125 2.4866 2.4866 2.9262 2.9262 3.4185 3.4185 3.6980 3.6980 4.8649 4.8649 4.9423 4.9423 8.7529 8.7529 8.9119 8.9119 9.6658 9.6658 k = 0.5000 0.2177 0.1111 ( 3658 PWs) bands (ev): -24.7579 -24.7579 -24.6981 -24.6981 -12.9239 -12.9239 -12.3899 -12.3899 -8.4905 -8.4905 -8.3006 -8.3006 -8.2377 -8.2377 -8.1598 -8.1598 -8.0479 -8.0479 -7.9977 -7.9977 -0.2589 -0.2589 1.0471 1.0471 1.0984 1.0984 1.9271 1.9271 2.4341 2.4341 2.4930 2.4930 2.9054 2.9054 3.4156 3.4156 3.6988 3.6988 4.8703 4.8703 4.9460 4.9460 8.7248 8.7248 8.9128 8.9128 9.6464 9.6464 k = 0.5000 0.2177 0.0889 ( 3662 PWs) bands (ev): -24.7584 -24.7584 -24.6981 -24.6981 -12.9232 -12.9232 -12.3888 -12.3888 -8.4913 -8.4913 -8.2996 -8.2996 -8.2387 -8.2387 -8.1606 -8.1606 -8.0475 -8.0475 -7.9977 -7.9977 -0.2594 -0.2594 1.0517 1.0517 1.1018 1.1018 1.9256 1.9256 2.4526 2.4526 2.4991 2.4991 2.8868 2.8868 3.4133 3.4133 3.6994 3.6994 4.8747 4.8747 4.9493 4.9493 8.7014 8.7014 8.9133 8.9133 9.6305 9.6305 k = 0.5000 0.2177 0.0667 ( 3662 PWs) bands (ev): -24.7587 -24.7587 -24.6981 -24.6981 -12.9227 -12.9227 -12.3879 -12.3879 -8.4919 -8.4919 -8.2989 -8.2989 -8.2396 -8.2396 -8.1612 -8.1612 -8.0472 -8.0472 -7.9977 -7.9977 -0.2599 -0.2599 1.0551 1.0551 1.1047 1.1047 1.9245 1.9245 2.4670 2.4670 2.5052 2.5052 2.8712 2.8712 3.4114 3.4114 3.6999 3.6999 4.8780 4.8780 4.9520 4.9520 8.6830 8.6830 8.9137 8.9137 9.6180 9.6180 k = 0.5000 0.2177 0.0445 ( 3664 PWs) bands (ev): -24.7590 -24.7590 -24.6981 -24.6981 -12.9223 -12.9223 -12.3873 -12.3873 -8.4924 -8.4924 -8.2983 -8.2983 -8.2403 -8.2403 -8.1615 -8.1615 -8.0469 -8.0469 -7.9977 -7.9977 -0.2602 -0.2602 1.0575 1.0575 1.1069 1.1069 1.9236 1.9236 2.4768 2.4768 2.5110 2.5110 2.8593 2.8593 3.4100 3.4100 3.7003 3.7003 4.8803 4.8803 4.9542 4.9542 8.6698 8.6698 8.9139 8.9139 9.6091 9.6091 k = 0.5000 0.2177 0.0222 ( 3658 PWs) bands (ev): -24.7591 -24.7591 -24.6981 -24.6981 -12.9220 -12.9220 -12.3869 -12.3869 -8.4927 -8.4927 -8.2979 -8.2979 -8.2407 -8.2407 -8.1617 -8.1617 -8.0468 -8.0468 -7.9977 -7.9977 -0.2603 -0.2603 1.0589 1.0589 1.1082 1.1082 1.9231 1.9231 2.4822 2.4822 2.5154 2.5154 2.8517 2.8517 3.4092 3.4092 3.7005 3.7005 4.8816 4.8816 4.9555 4.9555 8.6618 8.6618 8.9140 8.9140 9.6037 9.6037 k = 0.5000 0.2177-0.0000 ( 3650 PWs) bands (ev): -24.7592 -24.7592 -24.6981 -24.6981 -12.9220 -12.9220 -12.3867 -12.3867 -8.4927 -8.4927 -8.2978 -8.2978 -8.2408 -8.2408 -8.1618 -8.1618 -8.0467 -8.0467 -7.9977 -7.9977 -0.2604 -0.2604 1.0593 1.0593 1.1087 1.1087 1.9229 1.9229 2.4838 2.4838 2.5171 2.5171 2.8491 2.8491 3.4090 3.4090 3.7006 3.7006 4.8821 4.8821 4.9559 4.9559 8.6592 8.6592 8.9141 8.9141 9.6020 9.6020 k = 0.0000 0.0000 1.2524 ( 3688 PWs) bands (ev): -24.7010 -24.7010 -24.6962 -24.6962 -12.8719 -12.8719 -12.3729 -12.3729 -8.5483 -8.5483 -8.5479 -8.5479 -8.2797 -8.2797 -8.2518 -8.2518 -8.1675 -8.1675 -8.1306 -8.1306 -0.2323 -0.2323 0.9209 0.9209 0.9630 0.9630 2.0619 2.0619 2.1017 2.1017 2.1256 2.1256 3.4428 3.4428 3.7914 3.7914 4.4656 4.4656 4.7505 4.7505 4.8558 4.8558 8.3825 8.3825 9.0936 9.0936 10.3897 10.3897 k = 0.0192 0.0084 1.2524 ( 3690 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8719 -12.8719 -12.3729 -12.3729 -8.5483 -8.5483 -8.5479 -8.5479 -8.2797 -8.2797 -8.2518 -8.2518 -8.1675 -8.1675 -8.1307 -8.1307 -0.2324 -0.2324 0.9209 0.9209 0.9630 0.9630 2.0618 2.0618 2.1017 2.1017 2.1255 2.1255 3.4428 3.4428 3.7914 3.7914 4.4656 4.4656 4.7508 4.7508 4.8555 4.8555 8.3844 8.3844 9.0895 9.0895 10.3914 10.3914 k = 0.0385 0.0167 1.2524 ( 3690 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8719 -12.8719 -12.3729 -12.3729 -8.5483 -8.5483 -8.5479 -8.5479 -8.2797 -8.2797 -8.2515 -8.2515 -8.1675 -8.1675 -8.1309 -8.1309 -0.2322 -0.2322 0.9210 0.9210 0.9629 0.9629 2.0615 2.0615 2.1019 2.1019 2.1254 2.1254 3.4429 3.4429 3.7914 3.7914 4.4656 4.4656 4.7515 4.7515 4.8546 4.8546 8.3902 8.3902 9.0775 9.0775 10.3964 10.3964 k = 0.0577 0.0251 1.2524 ( 3708 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8719 -12.8719 -12.3729 -12.3729 -8.5483 -8.5483 -8.5479 -8.5479 -8.2797 -8.2797 -8.2512 -8.2512 -8.1676 -8.1676 -8.1312 -8.1312 -0.2320 -0.2320 0.9210 0.9210 0.9627 0.9627 2.0609 2.0609 2.1021 2.1021 2.1252 2.1252 3.4431 3.4431 3.7914 3.7914 4.4657 4.4657 4.7527 4.7527 4.8530 4.8530 8.3997 8.3997 9.0582 9.0582 10.4043 10.4043 k = 0.0769 0.0335 1.2524 ( 3706 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3729 -12.3729 -8.5484 -8.5484 -8.5478 -8.5478 -8.2797 -8.2797 -8.2507 -8.2507 -8.1677 -8.1677 -8.1316 -8.1316 -0.2317 -0.2317 0.9212 0.9212 0.9625 0.9625 2.0601 2.0601 2.1024 2.1024 2.1249 2.1249 3.4435 3.4435 3.7915 3.7915 4.4658 4.4658 4.7544 4.7544 4.8510 4.8510 8.4129 8.4129 9.0324 9.0324 10.4148 10.4148 k = 0.0962 0.0419 1.2524 ( 3706 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3730 -12.3730 -8.5484 -8.5484 -8.5477 -8.5477 -8.2798 -8.2798 -8.2502 -8.2502 -8.1679 -8.1679 -8.1321 -8.1321 -0.2313 -0.2313 0.9214 0.9214 0.9622 0.9622 2.0592 2.0592 2.1027 2.1027 2.1246 2.1246 3.4439 3.4439 3.7915 3.7915 4.4659 4.4659 4.7565 4.7565 4.8485 4.8485 8.4298 8.4298 9.0014 9.0014 10.4275 10.4275 k = 0.1154 0.0502 1.2524 ( 3698 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3730 -12.3730 -8.5483 -8.5483 -8.5476 -8.5476 -8.2798 -8.2798 -8.2496 -8.2496 -8.1680 -8.1680 -8.1327 -8.1327 -0.2309 -0.2309 0.9217 0.9217 0.9620 0.9620 2.0582 2.0582 2.1031 2.1031 2.1242 2.1242 3.4443 3.4443 3.7916 3.7916 4.4661 4.4661 4.7589 4.7589 4.8458 4.8458 8.4501 8.4501 8.9661 8.9661 10.4419 10.4419 k = 0.1346 0.0586 1.2524 ( 3702 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3730 -12.3730 -8.5484 -8.5484 -8.5476 -8.5476 -8.2798 -8.2798 -8.2489 -8.2489 -8.1681 -8.1681 -8.1332 -8.1332 -0.2305 -0.2305 0.9219 0.9219 0.9617 0.9617 2.0572 2.0572 2.1035 2.1035 2.1238 2.1238 3.4447 3.4447 3.7916 3.7916 4.4662 4.4662 4.7615 4.7615 4.8427 4.8427 8.4738 8.4738 8.9276 8.9276 10.4573 10.4573 k = 0.1538 0.0670 1.2524 ( 3706 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3730 -12.3730 -8.5484 -8.5484 -8.5475 -8.5475 -8.2799 -8.2799 -8.2483 -8.2483 -8.1683 -8.1683 -8.1338 -8.1338 -0.2302 -0.2302 0.9221 0.9221 0.9614 0.9614 2.0562 2.0562 2.1040 2.1040 2.1234 2.1234 3.4451 3.4451 3.7917 3.7917 4.4663 4.4663 4.7643 4.7643 4.8394 4.8394 8.5007 8.5007 8.8870 8.8870 10.4729 10.4729 k = 0.1731 0.0754 1.2524 ( 3706 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3731 -12.3731 -8.5483 -8.5483 -8.5475 -8.5475 -8.2799 -8.2799 -8.2477 -8.2477 -8.1684 -8.1684 -8.1343 -8.1343 -0.2298 -0.2298 0.9223 0.9223 0.9612 0.9612 2.0553 2.0553 2.1044 2.1044 2.1230 2.1230 3.4455 3.4455 3.7917 3.7917 4.4665 4.4665 4.7670 4.7670 4.8363 4.8363 8.5306 8.5306 8.8450 8.8450 10.4879 10.4879 k = 0.1923 0.0837 1.2524 ( 3704 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8718 -12.8718 -12.3731 -12.3731 -8.5483 -8.5483 -8.5474 -8.5474 -8.2799 -8.2799 -8.2472 -8.2472 -8.1685 -8.1685 -8.1347 -8.1347 -0.2295 -0.2295 0.9225 0.9225 0.9610 0.9610 2.0545 2.0545 2.1048 2.1048 2.1227 2.1227 3.4458 3.4458 3.7917 3.7917 4.4666 4.4666 4.7696 4.7696 4.8334 4.8334 8.5631 8.5631 8.8026 8.8026 10.5010 10.5010 k = 0.2115 0.0921 1.2524 ( 3700 PWs) bands (ev): -24.7011 -24.7011 -24.6962 -24.6962 -12.8717 -12.8717 -12.3731 -12.3731 -8.5483 -8.5483 -8.5474 -8.5474 -8.2799 -8.2799 -8.2468 -8.2468 -8.1686 -8.1686 -8.1350 -8.1350 -0.2292 -0.2292 0.9227 0.9227 0.9608 0.9608 2.0540 2.0540 2.1050 2.1050 2.1224 2.1224 3.4461 3.4461 3.7918 3.7918 4.4667 4.4667 4.7717 4.7717 4.8311 4.8311 8.5979 8.5979 8.7604 8.7604 10.5114 10.5114 k = 0.2308 0.1005 1.2524 ( 3694 PWs) bands (ev): -24.7010 -24.7010 -24.6962 -24.6962 -12.8717 -12.8717 -12.3731 -12.3731 -8.5483 -8.5483 -8.5473 -8.5473 -8.2799 -8.2799 -8.2466 -8.2466 -8.1687 -8.1687 -8.1352 -8.1352 -0.2291 -0.2291 0.9228 0.9228 0.9607 0.9607 2.0536 2.0536 2.1052 2.1052 2.1222 2.1222 3.4463 3.4463 3.7918 3.7918 4.4667 4.4667 4.7730 4.7730 4.8296 4.8296 8.6342 8.6342 8.7196 8.7196 10.5181 10.5181 k = 0.2500 0.1089 1.2524 ( 3696 PWs) bands (ev): -24.7010 -24.7010 -24.6962 -24.6962 -12.8717 -12.8717 -12.3731 -12.3731 -8.5483 -8.5483 -8.5473 -8.5473 -8.2799 -8.2799 -8.2465 -8.2465 -8.1687 -8.1687 -8.1353 -8.1353 -0.2290 -0.2290 0.9228 0.9228 0.9607 0.9607 2.0535 2.0535 2.1053 2.1053 2.1222 2.1222 3.4463 3.4463 3.7918 3.7918 4.4667 4.4667 4.7735 4.7735 4.8291 4.8291 8.6617 8.6617 8.6905 8.6905 10.5203 10.5203 Writing output data file K2NiO2.save init_run : 0.38s CPU 0.55s WALL ( 1 calls) electrons : 224.68s CPU 227.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 224.68s CPU 227.22s 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 : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 346 calls) cegterg : 203.63s CPU 205.55s WALL ( 435 calls) Called by sum_band: Called by *egterg: h_psi : 149.60s CPU 151.09s WALL ( 7442 calls) s_psi : 4.21s CPU 4.31s WALL ( 7442 calls) g_psi : 0.19s CPU 0.20s WALL ( 6661 calls) cdiaghg : 54.24s CPU 54.97s WALL ( 7007 calls) cegterg:over : 5.25s CPU 5.14s WALL ( 6661 calls) cegterg:upda : 4.62s CPU 4.74s WALL ( 6661 calls) cegterg:last : 2.23s CPU 2.16s WALL ( 1166 calls) cdiaghg:chol : 3.13s CPU 3.07s WALL ( 7007 calls) cdiaghg:inve : 2.04s CPU 2.04s WALL ( 7007 calls) cdiaghg:para : 3.28s CPU 3.30s WALL ( 14014 calls) Called by h_psi: h_psi:vloc : 139.29s CPU 140.90s WALL ( 7442 calls) h_psi:vnl : 10.09s CPU 10.00s WALL ( 7442 calls) add_vuspsi : 5.00s CPU 5.10s WALL ( 7442 calls) General routines calbec : 5.04s CPU 4.88s WALL ( 7442 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 128.73s CPU 130.23s WALL ( 766192 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.19s WALL ( 692 calls) Parallel routines fft_scatter : 38.62s CPU 39.37s WALL ( 766215 calls) PWSCF : 4m 0.20s CPU 4m21.24s WALL This run was terminated on: 20:14:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=