Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 9: 6 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: ./ZrVGe.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 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 196 60 17 5310 896 146 Max 197 61 18 5312 920 149 Sum 7059 2183 641 191199 32877 5321 bravais-lattice index = 14 lattice parameter (alat) = 14.5793 a.u. unit-cell volume = 688.9116 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.579306 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.881619 celldm(5)= -0.881619 celldm(6)= 0.763238 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.763238 0.646118 0.000000 ) a(3) = ( -0.881619 -0.323059 0.344066 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.181267 1.453211 ) b(2) = ( 0.000000 1.547705 1.453211 ) b(3) = ( 0.000000 0.000000 2.906422 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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 Ge 4.00 72.64000 Ge( 1.00) Zr 4.00 91.22400 Zr( 1.00) V 13.00 50.94150 V( 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= 355 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0000000 0.0000000 0.0242202), wk = 0.0028169 k( 3) = ( 0.0000000 0.0000000 0.0484404), wk = 0.0028169 k( 4) = ( 0.0000000 0.0000000 0.0726606), wk = 0.0028169 k( 5) = ( 0.0000000 0.0000000 0.0968807), wk = 0.0028169 k( 6) = ( 0.0000000 0.0000000 0.1211009), wk = 0.0028169 k( 7) = ( 0.0000000 0.0000000 0.1453211), wk = 0.0028169 k( 8) = ( 0.0000000 0.0000000 0.1695413), wk = 0.0028169 k( 9) = ( 0.0000000 0.0000000 0.1937615), wk = 0.0028169 k( 10) = ( 0.0000000 0.0000000 0.2179817), wk = 0.0028169 k( 11) = ( 0.0000000 0.0000000 0.2422019), wk = 0.0028169 k( 12) = ( 0.0000000 0.0000000 0.2664221), wk = 0.0028169 k( 13) = ( 0.0000000 0.0000000 0.2906422), wk = 0.0028169 k( 14) = ( 0.0000000 0.0000000 0.3148624), wk = 0.0028169 k( 15) = ( 0.0000000 0.0000000 0.3390826), wk = 0.0028169 k( 16) = ( 0.0000000 0.0000000 0.3633028), wk = 0.0028169 k( 17) = ( 0.0000000 0.0000000 0.3875230), wk = 0.0028169 k( 18) = ( 0.0000000 0.0000000 0.4117432), wk = 0.0028169 k( 19) = ( 0.0000000 0.0000000 0.4359634), wk = 0.0028169 k( 20) = ( 0.0000000 0.0000000 0.4601835), wk = 0.0028169 k( 21) = ( 0.0000000 0.0000000 0.4844037), wk = 0.0028169 k( 22) = ( 0.0000000 0.0000000 0.5086239), wk = 0.0028169 k( 23) = ( 0.0000000 0.0000000 0.5328441), wk = 0.0028169 k( 24) = ( 0.0000000 0.0000000 0.5570643), wk = 0.0028169 k( 25) = ( 0.0000000 0.0000000 0.5812845), wk = 0.0028169 k( 26) = ( 0.0000000 0.0000000 0.6055047), wk = 0.0028169 k( 27) = ( 0.0000000 0.0000000 0.6297249), wk = 0.0028169 k( 28) = ( 0.0000000 0.0000000 0.6539450), wk = 0.0028169 k( 29) = ( 0.0000000 0.0000000 0.6781652), wk = 0.0028169 k( 30) = ( 0.0000000 0.0000000 0.7023854), wk = 0.0028169 k( 31) = ( 0.0000000 0.0000000 0.7266056), wk = 0.0028169 k( 32) = ( 0.0000000 0.0000000 0.7508258), wk = 0.0028169 k( 33) = ( 0.0000000 0.0000000 0.7750460), wk = 0.0028169 k( 34) = ( 0.0000000 0.0000000 0.7992662), wk = 0.0028169 k( 35) = ( 0.0000000 0.0000000 0.8234863), wk = 0.0028169 k( 36) = ( 0.0000000 0.0000000 0.8477066), wk = 0.0028169 k( 37) = ( 0.0000000 0.0000000 0.8719267), wk = 0.0028169 k( 38) = ( 0.0000000 0.0000000 0.8961469), wk = 0.0028169 k( 39) = ( 0.0000000 0.0000000 0.9203671), wk = 0.0028169 k( 40) = ( 0.0000000 0.0000000 0.9445873), wk = 0.0028169 k( 41) = ( 0.0000000 0.0000000 0.9688075), wk = 0.0028169 k( 42) = ( 0.0000000 0.0000000 0.9930277), wk = 0.0028169 k( 43) = ( 0.0000000 0.0000000 1.0172478), wk = 0.0028169 k( 44) = ( 0.0000000 0.0000000 1.0414680), wk = 0.0028169 k( 45) = ( 0.0000000 0.0000000 1.0656882), wk = 0.0028169 k( 46) = ( 0.0000000 0.0000000 1.0899084), wk = 0.0028169 k( 47) = ( 0.0000000 0.0000000 1.1141286), wk = 0.0028169 k( 48) = ( 0.0000000 0.0000000 1.1383488), wk = 0.0028169 k( 49) = ( 0.0000000 0.0000000 1.1625690), wk = 0.0028169 k( 50) = ( 0.0000000 0.0000000 1.1867891), wk = 0.0028169 k( 51) = ( 0.0000000 0.0000000 1.2110094), wk = 0.0028169 k( 52) = ( 0.0000000 0.0000000 1.2352295), wk = 0.0028169 k( 53) = ( 0.0000000 0.0000000 1.2594497), wk = 0.0028169 k( 54) = ( 0.0000000 0.0000000 1.2836699), wk = 0.0028169 k( 55) = ( 0.0000000 0.0000000 1.3078901), wk = 0.0028169 k( 56) = ( 0.0000000 0.0000000 1.3321103), wk = 0.0028169 k( 57) = ( 0.0000000 0.0000000 1.3563305), wk = 0.0028169 k( 58) = ( 0.0000000 0.0000000 1.3805507), wk = 0.0028169 k( 59) = ( 0.0000000 0.0000000 1.4047708), wk = 0.0028169 k( 60) = ( 0.0000000 0.0000000 1.4289910), wk = 0.0028169 k( 61) = ( 0.0000000 0.0000000 1.4532112), wk = 0.0028169 k( 62) = ( 0.0000000 0.0000000 1.4532112), wk = 0.0028169 k( 63) = ( -0.0083923 0.0229024 1.4532112), wk = 0.0028169 k( 64) = ( -0.0167846 0.0458048 1.4532112), wk = 0.0028169 k( 65) = ( -0.0251769 0.0687072 1.4532112), wk = 0.0028169 k( 66) = ( -0.0335693 0.0916096 1.4532112), wk = 0.0028169 k( 67) = ( -0.0335693 0.0916096 1.4532112), wk = 0.0028169 k( 68) = ( -0.0393996 0.1075205 1.4362657), wk = 0.0028169 k( 69) = ( -0.0452300 0.1234315 1.4193201), wk = 0.0028169 k( 70) = ( -0.0510604 0.1393425 1.4023745), wk = 0.0028169 k( 71) = ( -0.0568908 0.1552534 1.3854290), wk = 0.0028169 k( 72) = ( -0.0627212 0.1711644 1.3684834), wk = 0.0028169 k( 73) = ( -0.0685516 0.1870753 1.3515378), wk = 0.0028169 k( 74) = ( -0.0743819 0.2029863 1.3345923), wk = 0.0028169 k( 75) = ( -0.0802123 0.2188972 1.3176467), wk = 0.0028169 k( 76) = ( -0.0860427 0.2348082 1.3007012), wk = 0.0028169 k( 77) = ( -0.0918731 0.2507192 1.2837556), wk = 0.0028169 k( 78) = ( -0.0977035 0.2666301 1.2668100), wk = 0.0028169 k( 79) = ( -0.1035339 0.2825411 1.2498645), wk = 0.0028169 k( 80) = ( -0.1093642 0.2984520 1.2329189), wk = 0.0028169 k( 81) = ( -0.1151946 0.3143630 1.2159734), wk = 0.0028169 k( 82) = ( -0.1210250 0.3302740 1.1990278), wk = 0.0028169 k( 83) = ( -0.1268554 0.3461849 1.1820823), wk = 0.0028169 k( 84) = ( -0.1326858 0.3620959 1.1651367), wk = 0.0028169 k( 85) = ( -0.1385162 0.3780068 1.1481911), wk = 0.0028169 k( 86) = ( -0.1443465 0.3939178 1.1312456), wk = 0.0028169 k( 87) = ( -0.1501769 0.4098288 1.1143000), wk = 0.0028169 k( 88) = ( -0.1560073 0.4257397 1.0973545), wk = 0.0028169 k( 89) = ( -0.1618377 0.4416507 1.0804089), wk = 0.0028169 k( 90) = ( -0.1676681 0.4575616 1.0634633), wk = 0.0028169 k( 91) = ( -0.1734985 0.4734726 1.0465178), wk = 0.0028169 k( 92) = ( -0.1793289 0.4893835 1.0295722), wk = 0.0028169 k( 93) = ( -0.1851592 0.5052945 1.0126267), wk = 0.0028169 k( 94) = ( -0.1909896 0.5212055 0.9956811), wk = 0.0028169 k( 95) = ( -0.1968200 0.5371164 0.9787355), wk = 0.0028169 k( 96) = ( -0.2026504 0.5530274 0.9617900), wk = 0.0028169 k( 97) = ( -0.2084808 0.5689383 0.9448444), wk = 0.0028169 k( 98) = ( -0.2143112 0.5848493 0.9278989), wk = 0.0028169 k( 99) = ( -0.2201415 0.6007603 0.9109533), wk = 0.0028169 k( 100) = ( -0.2259719 0.6166712 0.8940077), wk = 0.0028169 k( 101) = ( -0.2318023 0.6325822 0.8770622), wk = 0.0028169 k( 102) = ( -0.2376327 0.6484931 0.8601166), wk = 0.0028169 k( 103) = ( -0.2434631 0.6644041 0.8431710), wk = 0.0028169 k( 104) = ( -0.2492935 0.6803150 0.8262255), wk = 0.0028169 k( 105) = ( -0.2551239 0.6962260 0.8092799), wk = 0.0028169 k( 106) = ( -0.2609542 0.7121370 0.7923344), wk = 0.0028169 k( 107) = ( -0.2667846 0.7280479 0.7753888), wk = 0.0028169 k( 108) = ( -0.2667846 0.7280479 0.7753888), wk = 0.0028169 k( 109) = ( -0.2608561 0.7118691 0.7581580), wk = 0.0028169 k( 110) = ( -0.2549275 0.6956902 0.7409271), wk = 0.0028169 k( 111) = ( -0.2489990 0.6795114 0.7236962), wk = 0.0028169 k( 112) = ( -0.2430704 0.6633326 0.7064654), wk = 0.0028169 k( 113) = ( -0.2371419 0.6471537 0.6892345), wk = 0.0028169 k( 114) = ( -0.2312133 0.6309749 0.6720036), wk = 0.0028169 k( 115) = ( -0.2252848 0.6147960 0.6547728), wk = 0.0028169 k( 116) = ( -0.2193563 0.5986172 0.6375419), wk = 0.0028169 k( 117) = ( -0.2134277 0.5824383 0.6203111), wk = 0.0028169 k( 118) = ( -0.2074991 0.5662595 0.6030802), wk = 0.0028169 k( 119) = ( -0.2015706 0.5500807 0.5858493), wk = 0.0028169 k( 120) = ( -0.1956421 0.5339018 0.5686185), wk = 0.0028169 k( 121) = ( -0.1897135 0.5177230 0.5513876), wk = 0.0028169 k( 122) = ( -0.1837850 0.5015441 0.5341567), wk = 0.0028169 k( 123) = ( -0.1778564 0.4853653 0.5169259), wk = 0.0028169 k( 124) = ( -0.1719279 0.4691864 0.4996950), wk = 0.0028169 k( 125) = ( -0.1659993 0.4530076 0.4824641), wk = 0.0028169 k( 126) = ( -0.1600708 0.4368288 0.4652333), wk = 0.0028169 k( 127) = ( -0.1541422 0.4206499 0.4480024), wk = 0.0028169 k( 128) = ( -0.1482137 0.4044711 0.4307716), wk = 0.0028169 k( 129) = ( -0.1422851 0.3882922 0.4135407), wk = 0.0028169 k( 130) = ( -0.1363566 0.3721134 0.3963099), wk = 0.0028169 k( 131) = ( -0.1304280 0.3559345 0.3790790), wk = 0.0028169 k( 132) = ( -0.1244995 0.3397557 0.3618481), wk = 0.0028169 k( 133) = ( -0.1185709 0.3235768 0.3446172), wk = 0.0028169 k( 134) = ( -0.1126424 0.3073980 0.3273864), wk = 0.0028169 k( 135) = ( -0.1067138 0.2912192 0.3101555), wk = 0.0028169 k( 136) = ( -0.1007853 0.2750403 0.2929247), wk = 0.0028169 k( 137) = ( -0.0948568 0.2588615 0.2756938), wk = 0.0028169 k( 138) = ( -0.0889282 0.2426826 0.2584629), wk = 0.0028169 k( 139) = ( -0.0829997 0.2265038 0.2412321), wk = 0.0028169 k( 140) = ( -0.0770711 0.2103249 0.2240012), wk = 0.0028169 k( 141) = ( -0.0711426 0.1941461 0.2067704), wk = 0.0028169 k( 142) = ( -0.0652140 0.1779673 0.1895395), wk = 0.0028169 k( 143) = ( -0.0592855 0.1617884 0.1723086), wk = 0.0028169 k( 144) = ( -0.0533569 0.1456096 0.1550778), wk = 0.0028169 k( 145) = ( -0.0474284 0.1294307 0.1378469), wk = 0.0028169 k( 146) = ( -0.0414998 0.1132519 0.1206160), wk = 0.0028169 k( 147) = ( -0.0355713 0.0970730 0.1033852), wk = 0.0028169 k( 148) = ( -0.0296427 0.0808942 0.0861543), wk = 0.0028169 k( 149) = ( -0.0237142 0.0647154 0.0689235), wk = 0.0028169 k( 150) = ( -0.0177856 0.0485365 0.0516926), wk = 0.0028169 k( 151) = ( -0.0118571 0.0323577 0.0344617), wk = 0.0028169 k( 152) = ( -0.0059286 0.0161789 0.0172309), wk = 0.0028169 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 155) = ( 0.0227273 0.0083281 -0.0000000), wk = 0.0028169 k( 156) = ( 0.0454546 0.0166563 -0.0000000), wk = 0.0028169 k( 157) = ( 0.0681818 0.0249844 -0.0000000), wk = 0.0028169 k( 158) = ( 0.0909091 0.0333126 -0.0000000), wk = 0.0028169 k( 159) = ( 0.1136364 0.0416407 -0.0000000), wk = 0.0028169 k( 160) = ( 0.1363636 0.0499689 -0.0000000), wk = 0.0028169 k( 161) = ( 0.1590909 0.0582970 -0.0000000), wk = 0.0028169 k( 162) = ( 0.1818182 0.0666251 -0.0000000), wk = 0.0028169 k( 163) = ( 0.2045454 0.0749533 -0.0000000), wk = 0.0028169 k( 164) = ( 0.2272727 0.0832814 -0.0000000), wk = 0.0028169 k( 165) = ( 0.2500000 0.0916096 -0.0000000), wk = 0.0028169 k( 166) = ( 0.2727273 0.0999377 -0.0000000), wk = 0.0028169 k( 167) = ( 0.2954545 0.1082659 -0.0000000), wk = 0.0028169 k( 168) = ( 0.3181818 0.1165940 -0.0000000), wk = 0.0028169 k( 169) = ( 0.3409091 0.1249221 -0.0000000), wk = 0.0028169 k( 170) = ( 0.3636364 0.1332503 -0.0000000), wk = 0.0028169 k( 171) = ( 0.3863636 0.1415784 -0.0000000), wk = 0.0028169 k( 172) = ( 0.4090909 0.1499066 -0.0000000), wk = 0.0028169 k( 173) = ( 0.4318182 0.1582347 -0.0000000), wk = 0.0028169 k( 174) = ( 0.4545455 0.1665629 -0.0000000), wk = 0.0028169 k( 175) = ( 0.4772727 0.1748910 -0.0000000), wk = 0.0028169 k( 176) = ( 0.5000000 0.1832191 -0.0000000), wk = 0.0028169 k( 177) = ( 0.5000000 0.1832191 -0.0000000), wk = 0.0028169 k( 178) = ( 0.4941696 0.1991301 0.0169455), wk = 0.0028169 k( 179) = ( 0.4883392 0.2150411 0.0338911), wk = 0.0028169 k( 180) = ( 0.4825088 0.2309520 0.0508367), wk = 0.0028169 k( 181) = ( 0.4766785 0.2468630 0.0677822), wk = 0.0028169 k( 182) = ( 0.4708481 0.2627739 0.0847278), wk = 0.0028169 k( 183) = ( 0.4650177 0.2786849 0.1016734), wk = 0.0028169 k( 184) = ( 0.4591873 0.2945958 0.1186189), wk = 0.0028169 k( 185) = ( 0.4533569 0.3105068 0.1355645), wk = 0.0028169 k( 186) = ( 0.4475265 0.3264178 0.1525100), wk = 0.0028169 k( 187) = ( 0.4416962 0.3423287 0.1694556), wk = 0.0028169 k( 188) = ( 0.4358658 0.3582397 0.1864012), wk = 0.0028169 k( 189) = ( 0.4300354 0.3741506 0.2033467), wk = 0.0028169 k( 190) = ( 0.4242050 0.3900616 0.2202923), wk = 0.0028169 k( 191) = ( 0.4183746 0.4059726 0.2372378), wk = 0.0028169 k( 192) = ( 0.4125442 0.4218835 0.2541834), wk = 0.0028169 k( 193) = ( 0.4067138 0.4377945 0.2711290), wk = 0.0028169 k( 194) = ( 0.4008835 0.4537054 0.2880745), wk = 0.0028169 k( 195) = ( 0.3950531 0.4696164 0.3050201), wk = 0.0028169 k( 196) = ( 0.3892227 0.4855274 0.3219656), wk = 0.0028169 k( 197) = ( 0.3833923 0.5014383 0.3389112), wk = 0.0028169 k( 198) = ( 0.3775619 0.5173493 0.3558568), wk = 0.0028169 k( 199) = ( 0.3717315 0.5332602 0.3728023), wk = 0.0028169 k( 200) = ( 0.3659012 0.5491712 0.3897479), wk = 0.0028169 k( 201) = ( 0.3600708 0.5650821 0.4066934), wk = 0.0028169 k( 202) = ( 0.3542404 0.5809931 0.4236390), wk = 0.0028169 k( 203) = ( 0.3484100 0.5969041 0.4405845), wk = 0.0028169 k( 204) = ( 0.3425796 0.6128150 0.4575301), wk = 0.0028169 k( 205) = ( 0.3367492 0.6287260 0.4744757), wk = 0.0028169 k( 206) = ( 0.3309188 0.6446370 0.4914212), wk = 0.0028169 k( 207) = ( 0.3250885 0.6605479 0.5083668), wk = 0.0028169 k( 208) = ( 0.3192581 0.6764589 0.5253123), wk = 0.0028169 k( 209) = ( 0.3134277 0.6923698 0.5422579), wk = 0.0028169 k( 210) = ( 0.3075973 0.7082808 0.5592035), wk = 0.0028169 k( 211) = ( 0.3017669 0.7241917 0.5761490), wk = 0.0028169 k( 212) = ( 0.2959366 0.7401027 0.5930946), wk = 0.0028169 k( 213) = ( 0.2901062 0.7560137 0.6100402), wk = 0.0028169 k( 214) = ( 0.2842758 0.7719246 0.6269857), wk = 0.0028169 k( 215) = ( 0.2784454 0.7878356 0.6439313), wk = 0.0028169 k( 216) = ( 0.2726150 0.8037465 0.6608768), wk = 0.0028169 k( 217) = ( 0.2667846 0.8196575 0.6778224), wk = 0.0028169 k( 218) = ( 0.2667846 0.8196575 0.6778224), wk = 0.0028169 k( 219) = ( 0.2445526 0.8158404 0.6818877), wk = 0.0028169 k( 220) = ( 0.2223205 0.8120234 0.6859529), wk = 0.0028169 k( 221) = ( 0.2000885 0.8082063 0.6900182), wk = 0.0028169 k( 222) = ( 0.1778564 0.8043892 0.6940835), wk = 0.0028169 k( 223) = ( 0.1556244 0.8005722 0.6981487), wk = 0.0028169 k( 224) = ( 0.1333923 0.7967551 0.7022140), wk = 0.0028169 k( 225) = ( 0.1111603 0.7929380 0.7062793), wk = 0.0028169 k( 226) = ( 0.0889282 0.7891210 0.7103445), wk = 0.0028169 k( 227) = ( 0.0666962 0.7853039 0.7144098), wk = 0.0028169 k( 228) = ( 0.0444641 0.7814868 0.7184751), wk = 0.0028169 k( 229) = ( 0.0222320 0.7776698 0.7225403), wk = 0.0028169 k( 230) = ( 0.0000000 0.7738527 0.7266056), wk = 0.0028169 k( 231) = ( 0.0000000 0.7738527 0.7266056), wk = 0.0028169 k( 232) = ( 0.0059524 0.7576088 0.7439057), wk = 0.0028169 k( 233) = ( 0.0119048 0.7413649 0.7612059), wk = 0.0028169 k( 234) = ( 0.0178571 0.7251211 0.7785060), wk = 0.0028169 k( 235) = ( 0.0238095 0.7088772 0.7958061), wk = 0.0028169 k( 236) = ( 0.0297619 0.6926333 0.8131063), wk = 0.0028169 k( 237) = ( 0.0357143 0.6763894 0.8304064), wk = 0.0028169 k( 238) = ( 0.0416667 0.6601455 0.8477066), wk = 0.0028169 k( 239) = ( 0.0476191 0.6439016 0.8650067), wk = 0.0028169 k( 240) = ( 0.0535714 0.6276577 0.8823068), wk = 0.0028169 k( 241) = ( 0.0595238 0.6114139 0.8996069), wk = 0.0028169 k( 242) = ( 0.0654762 0.5951700 0.9169071), wk = 0.0028169 k( 243) = ( 0.0714286 0.5789261 0.9342072), wk = 0.0028169 k( 244) = ( 0.0773810 0.5626822 0.9515073), wk = 0.0028169 k( 245) = ( 0.0833333 0.5464383 0.9688075), wk = 0.0028169 k( 246) = ( 0.0892857 0.5301945 0.9861076), wk = 0.0028169 k( 247) = ( 0.0952381 0.5139505 1.0034078), wk = 0.0028169 k( 248) = ( 0.1011905 0.4977067 1.0207079), wk = 0.0028169 k( 249) = ( 0.1071429 0.4814628 1.0380080), wk = 0.0028169 k( 250) = ( 0.1130952 0.4652189 1.0553081), wk = 0.0028169 k( 251) = ( 0.1190476 0.4489750 1.0726083), wk = 0.0028169 k( 252) = ( 0.1250000 0.4327311 1.0899084), wk = 0.0028169 k( 253) = ( 0.1309524 0.4164873 1.1072085), wk = 0.0028169 k( 254) = ( 0.1369048 0.4002434 1.1245087), wk = 0.0028169 k( 255) = ( 0.1428571 0.3839995 1.1418088), wk = 0.0028169 k( 256) = ( 0.1488095 0.3677556 1.1591089), wk = 0.0028169 k( 257) = ( 0.1547619 0.3515117 1.1764091), wk = 0.0028169 k( 258) = ( 0.1607143 0.3352678 1.1937092), wk = 0.0028169 k( 259) = ( 0.1666667 0.3190239 1.2110094), wk = 0.0028169 k( 260) = ( 0.1726190 0.3027801 1.2283095), wk = 0.0028169 k( 261) = ( 0.1785714 0.2865362 1.2456096), wk = 0.0028169 k( 262) = ( 0.1845238 0.2702923 1.2629097), wk = 0.0028169 k( 263) = ( 0.1904762 0.2540484 1.2802099), wk = 0.0028169 k( 264) = ( 0.1964286 0.2378045 1.2975100), wk = 0.0028169 k( 265) = ( 0.2023810 0.2215606 1.3148101), wk = 0.0028169 k( 266) = ( 0.2083333 0.2053168 1.3321103), wk = 0.0028169 k( 267) = ( 0.2142857 0.1890729 1.3494104), wk = 0.0028169 k( 268) = ( 0.2202381 0.1728290 1.3667106), wk = 0.0028169 k( 269) = ( 0.2261905 0.1565851 1.3840107), wk = 0.0028169 k( 270) = ( 0.2321429 0.1403412 1.4013108), wk = 0.0028169 k( 271) = ( 0.2380952 0.1240973 1.4186110), wk = 0.0028169 k( 272) = ( 0.2440476 0.1078535 1.4359111), wk = 0.0028169 k( 273) = ( 0.2500000 0.0916096 1.4532112), wk = 0.0028169 k( 274) = ( 0.2500000 0.0916096 1.4532112), wk = 0.0028169 k( 275) = ( 0.2708333 0.0992437 1.4450807), wk = 0.0028169 k( 276) = ( 0.2916667 0.1068778 1.4369502), wk = 0.0028169 k( 277) = ( 0.3125000 0.1145120 1.4288196), wk = 0.0028169 k( 278) = ( 0.3333333 0.1221461 1.4206891), wk = 0.0028169 k( 279) = ( 0.3541667 0.1297802 1.4125585), wk = 0.0028169 k( 280) = ( 0.3750000 0.1374144 1.4044280), wk = 0.0028169 k( 281) = ( 0.3958333 0.1450485 1.3962974), wk = 0.0028169 k( 282) = ( 0.4166667 0.1526826 1.3881669), wk = 0.0028169 k( 283) = ( 0.4375000 0.1603167 1.3800364), wk = 0.0028169 k( 284) = ( 0.4583333 0.1679509 1.3719058), wk = 0.0028169 k( 285) = ( 0.4791667 0.1755850 1.3637753), wk = 0.0028169 k( 286) = ( 0.5000000 0.1832191 1.3556448), wk = 0.0028169 k( 287) = ( 0.5000000 0.1832191 1.3556448), wk = 0.0028169 k( 288) = ( 0.5000000 0.1832191 1.3314369), wk = 0.0028169 k( 289) = ( 0.5000000 0.1832191 1.3072289), wk = 0.0028169 k( 290) = ( 0.5000000 0.1832191 1.2830210), wk = 0.0028169 k( 291) = ( 0.5000000 0.1832191 1.2588130), wk = 0.0028169 k( 292) = ( 0.5000000 0.1832191 1.2346051), wk = 0.0028169 k( 293) = ( 0.5000000 0.1832191 1.2103971), wk = 0.0028169 k( 294) = ( 0.5000000 0.1832191 1.1861892), wk = 0.0028169 k( 295) = ( 0.5000000 0.1832191 1.1619812), wk = 0.0028169 k( 296) = ( 0.5000000 0.1832191 1.1377733), wk = 0.0028169 k( 297) = ( 0.5000000 0.1832191 1.1135654), wk = 0.0028169 k( 298) = ( 0.5000000 0.1832191 1.0893574), wk = 0.0028169 k( 299) = ( 0.5000000 0.1832191 1.0651495), wk = 0.0028169 k( 300) = ( 0.5000000 0.1832191 1.0409415), wk = 0.0028169 k( 301) = ( 0.5000000 0.1832191 1.0167336), wk = 0.0028169 k( 302) = ( 0.5000000 0.1832191 0.9925256), wk = 0.0028169 k( 303) = ( 0.5000000 0.1832191 0.9683177), wk = 0.0028169 k( 304) = ( 0.5000000 0.1832191 0.9441098), wk = 0.0028169 k( 305) = ( 0.5000000 0.1832191 0.9199018), wk = 0.0028169 k( 306) = ( 0.5000000 0.1832191 0.8956939), wk = 0.0028169 k( 307) = ( 0.5000000 0.1832191 0.8714859), wk = 0.0028169 k( 308) = ( 0.5000000 0.1832191 0.8472780), wk = 0.0028169 k( 309) = ( 0.5000000 0.1832191 0.8230701), wk = 0.0028169 k( 310) = ( 0.5000000 0.1832191 0.7988621), wk = 0.0028169 k( 311) = ( 0.5000000 0.1832191 0.7746542), wk = 0.0028169 k( 312) = ( 0.5000000 0.1832191 0.7504462), wk = 0.0028169 k( 313) = ( 0.5000000 0.1832191 0.7262383), wk = 0.0028169 k( 314) = ( 0.5000000 0.1832191 0.7020303), wk = 0.0028169 k( 315) = ( 0.5000000 0.1832191 0.6778224), wk = 0.0028169 k( 316) = ( 0.5000000 0.1832191 0.6536144), wk = 0.0028169 k( 317) = ( 0.5000000 0.1832191 0.6294065), wk = 0.0028169 k( 318) = ( 0.5000000 0.1832191 0.6051986), wk = 0.0028169 k( 319) = ( 0.5000000 0.1832191 0.5809906), wk = 0.0028169 k( 320) = ( 0.5000000 0.1832191 0.5567827), wk = 0.0028169 k( 321) = ( 0.5000000 0.1832191 0.5325747), wk = 0.0028169 k( 322) = ( 0.5000000 0.1832191 0.5083668), wk = 0.0028169 k( 323) = ( 0.5000000 0.1832191 0.4841589), wk = 0.0028169 k( 324) = ( 0.5000000 0.1832191 0.4599509), wk = 0.0028169 k( 325) = ( 0.5000000 0.1832191 0.4357430), wk = 0.0028169 k( 326) = ( 0.5000000 0.1832191 0.4115350), wk = 0.0028169 k( 327) = ( 0.5000000 0.1832191 0.3873271), wk = 0.0028169 k( 328) = ( 0.5000000 0.1832191 0.3631191), wk = 0.0028169 k( 329) = ( 0.5000000 0.1832191 0.3389112), wk = 0.0028169 k( 330) = ( 0.5000000 0.1832191 0.3147033), wk = 0.0028169 k( 331) = ( 0.5000000 0.1832191 0.2904953), wk = 0.0028169 k( 332) = ( 0.5000000 0.1832191 0.2662874), wk = 0.0028169 k( 333) = ( 0.5000000 0.1832191 0.2420794), wk = 0.0028169 k( 334) = ( 0.5000000 0.1832191 0.2178715), wk = 0.0028169 k( 335) = ( 0.5000000 0.1832191 0.1936635), wk = 0.0028169 k( 336) = ( 0.5000000 0.1832191 0.1694556), wk = 0.0028169 k( 337) = ( 0.5000000 0.1832191 0.1452476), wk = 0.0028169 k( 338) = ( 0.5000000 0.1832191 0.1210397), wk = 0.0028169 k( 339) = ( 0.5000000 0.1832191 0.0968318), wk = 0.0028169 k( 340) = ( 0.5000000 0.1832191 0.0726238), wk = 0.0028169 k( 341) = ( 0.5000000 0.1832191 0.0484159), wk = 0.0028169 k( 342) = ( 0.5000000 0.1832191 0.0242079), wk = 0.0028169 k( 343) = ( 0.5000000 0.1832191 -0.0000000), wk = 0.0028169 k( 344) = ( 0.0000000 0.0000000 1.4532112), wk = 0.0028169 k( 345) = ( 0.0227273 0.0083281 1.4532112), wk = 0.0028169 k( 346) = ( 0.0454546 0.0166563 1.4532112), wk = 0.0028169 k( 347) = ( 0.0681818 0.0249844 1.4532112), wk = 0.0028169 k( 348) = ( 0.0909091 0.0333126 1.4532112), wk = 0.0028169 k( 349) = ( 0.1136364 0.0416407 1.4532112), wk = 0.0028169 k( 350) = ( 0.1363636 0.0499689 1.4532112), wk = 0.0028169 k( 351) = ( 0.1590909 0.0582970 1.4532112), wk = 0.0028169 k( 352) = ( 0.1818182 0.0666251 1.4532112), wk = 0.0028169 k( 353) = ( 0.2045454 0.0749533 1.4532112), wk = 0.0028169 k( 354) = ( 0.2272727 0.0832814 1.4532112), wk = 0.0028169 k( 355) = ( 0.2500000 0.0916096 1.4532112), wk = 0.0028169 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0000000 0.0000000 0.0083333), wk = 0.0028169 k( 3) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0028169 k( 4) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0028169 k( 5) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028169 k( 6) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0028169 k( 7) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028169 k( 8) = ( 0.0000000 0.0000000 0.0583333), wk = 0.0028169 k( 9) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028169 k( 10) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0028169 k( 11) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028169 k( 12) = ( 0.0000000 0.0000000 0.0916667), wk = 0.0028169 k( 13) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028169 k( 14) = ( 0.0000000 0.0000000 0.1083333), wk = 0.0028169 k( 15) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0028169 k( 16) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028169 k( 17) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028169 k( 18) = ( 0.0000000 0.0000000 0.1416667), wk = 0.0028169 k( 19) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028169 k( 20) = ( 0.0000000 0.0000000 0.1583333), wk = 0.0028169 k( 21) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028169 k( 22) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0028169 k( 23) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0028169 k( 24) = ( 0.0000000 0.0000000 0.1916667), wk = 0.0028169 k( 25) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028169 k( 26) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0028169 k( 27) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0028169 k( 28) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0028169 k( 29) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028169 k( 30) = ( 0.0000000 0.0000000 0.2416667), wk = 0.0028169 k( 31) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028169 k( 32) = ( 0.0000000 0.0000000 0.2583333), wk = 0.0028169 k( 33) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028169 k( 34) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0028169 k( 35) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0028169 k( 36) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0028169 k( 37) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028169 k( 38) = ( 0.0000000 0.0000000 0.3083333), wk = 0.0028169 k( 39) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0028169 k( 40) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0028169 k( 41) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028169 k( 42) = ( 0.0000000 0.0000000 0.3416667), wk = 0.0028169 k( 43) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028169 k( 44) = ( 0.0000000 0.0000000 0.3583333), wk = 0.0028169 k( 45) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028169 k( 46) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028169 k( 47) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0028169 k( 48) = ( 0.0000000 0.0000000 0.3916667), wk = 0.0028169 k( 49) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028169 k( 50) = ( 0.0000000 0.0000000 0.4083333), wk = 0.0028169 k( 51) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028169 k( 52) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0028169 k( 53) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028169 k( 54) = ( 0.0000000 0.0000000 0.4416667), wk = 0.0028169 k( 55) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028169 k( 56) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0028169 k( 57) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028169 k( 58) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0028169 k( 59) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0028169 k( 60) = ( 0.0000000 0.0000000 0.4916667), wk = 0.0028169 k( 61) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 62) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 63) = ( -0.0083923 0.0083923 0.5000000), wk = 0.0028169 k( 64) = ( -0.0167846 0.0167846 0.5000000), wk = 0.0028169 k( 65) = ( -0.0251769 0.0251769 0.5000000), wk = 0.0028169 k( 66) = ( -0.0335693 0.0335693 0.5000000), wk = 0.0028169 k( 67) = ( -0.0335693 0.0335693 0.5000000), wk = 0.0028169 k( 68) = ( -0.0393996 0.0393996 0.4941696), wk = 0.0028169 k( 69) = ( -0.0452300 0.0452300 0.4883392), wk = 0.0028169 k( 70) = ( -0.0510604 0.0510604 0.4825088), wk = 0.0028169 k( 71) = ( -0.0568908 0.0568908 0.4766785), wk = 0.0028169 k( 72) = ( -0.0627212 0.0627212 0.4708481), wk = 0.0028169 k( 73) = ( -0.0685516 0.0685516 0.4650177), wk = 0.0028169 k( 74) = ( -0.0743819 0.0743819 0.4591873), wk = 0.0028169 k( 75) = ( -0.0802123 0.0802123 0.4533569), wk = 0.0028169 k( 76) = ( -0.0860427 0.0860427 0.4475265), wk = 0.0028169 k( 77) = ( -0.0918731 0.0918731 0.4416962), wk = 0.0028169 k( 78) = ( -0.0977035 0.0977035 0.4358658), wk = 0.0028169 k( 79) = ( -0.1035339 0.1035339 0.4300354), wk = 0.0028169 k( 80) = ( -0.1093642 0.1093643 0.4242050), wk = 0.0028169 k( 81) = ( -0.1151946 0.1151946 0.4183746), wk = 0.0028169 k( 82) = ( -0.1210250 0.1210250 0.4125442), wk = 0.0028169 k( 83) = ( -0.1268554 0.1268554 0.4067138), wk = 0.0028169 k( 84) = ( -0.1326858 0.1326858 0.4008835), wk = 0.0028169 k( 85) = ( -0.1385162 0.1385162 0.3950531), wk = 0.0028169 k( 86) = ( -0.1443465 0.1443466 0.3892227), wk = 0.0028169 k( 87) = ( -0.1501769 0.1501769 0.3833923), wk = 0.0028169 k( 88) = ( -0.1560073 0.1560073 0.3775619), wk = 0.0028169 k( 89) = ( -0.1618377 0.1618377 0.3717315), wk = 0.0028169 k( 90) = ( -0.1676681 0.1676681 0.3659012), wk = 0.0028169 k( 91) = ( -0.1734985 0.1734985 0.3600708), wk = 0.0028169 k( 92) = ( -0.1793289 0.1793289 0.3542404), wk = 0.0028169 k( 93) = ( -0.1851592 0.1851593 0.3484100), wk = 0.0028169 k( 94) = ( -0.1909896 0.1909896 0.3425796), wk = 0.0028169 k( 95) = ( -0.1968200 0.1968200 0.3367492), wk = 0.0028169 k( 96) = ( -0.2026504 0.2026504 0.3309188), wk = 0.0028169 k( 97) = ( -0.2084808 0.2084808 0.3250885), wk = 0.0028169 k( 98) = ( -0.2143112 0.2143112 0.3192581), wk = 0.0028169 k( 99) = ( -0.2201415 0.2201416 0.3134277), wk = 0.0028169 k( 100) = ( -0.2259719 0.2259719 0.3075973), wk = 0.0028169 k( 101) = ( -0.2318023 0.2318023 0.3017669), wk = 0.0028169 k( 102) = ( -0.2376327 0.2376327 0.2959365), wk = 0.0028169 k( 103) = ( -0.2434631 0.2434631 0.2901062), wk = 0.0028169 k( 104) = ( -0.2492935 0.2492935 0.2842758), wk = 0.0028169 k( 105) = ( -0.2551239 0.2551239 0.2784454), wk = 0.0028169 k( 106) = ( -0.2609542 0.2609542 0.2726150), wk = 0.0028169 k( 107) = ( -0.2667846 0.2667846 0.2667846), wk = 0.0028169 k( 108) = ( -0.2667846 0.2667846 0.2667846), wk = 0.0028169 k( 109) = ( -0.2608561 0.2608561 0.2608561), wk = 0.0028169 k( 110) = ( -0.2549275 0.2549275 0.2549275), wk = 0.0028169 k( 111) = ( -0.2489990 0.2489990 0.2489990), wk = 0.0028169 k( 112) = ( -0.2430704 0.2430704 0.2430704), wk = 0.0028169 k( 113) = ( -0.2371419 0.2371419 0.2371419), wk = 0.0028169 k( 114) = ( -0.2312133 0.2312133 0.2312133), wk = 0.0028169 k( 115) = ( -0.2252848 0.2252848 0.2252848), wk = 0.0028169 k( 116) = ( -0.2193563 0.2193563 0.2193562), wk = 0.0028169 k( 117) = ( -0.2134277 0.2134277 0.2134277), wk = 0.0028169 k( 118) = ( -0.2074991 0.2074992 0.2074991), wk = 0.0028169 k( 119) = ( -0.2015706 0.2015706 0.2015706), wk = 0.0028169 k( 120) = ( -0.1956421 0.1956421 0.1956421), wk = 0.0028169 k( 121) = ( -0.1897135 0.1897135 0.1897135), wk = 0.0028169 k( 122) = ( -0.1837850 0.1837850 0.1837850), wk = 0.0028169 k( 123) = ( -0.1778564 0.1778564 0.1778564), wk = 0.0028169 k( 124) = ( -0.1719279 0.1719279 0.1719279), wk = 0.0028169 k( 125) = ( -0.1659993 0.1659993 0.1659993), wk = 0.0028169 k( 126) = ( -0.1600708 0.1600708 0.1600708), wk = 0.0028169 k( 127) = ( -0.1541422 0.1541422 0.1541422), wk = 0.0028169 k( 128) = ( -0.1482137 0.1482137 0.1482137), wk = 0.0028169 k( 129) = ( -0.1422851 0.1422851 0.1422851), wk = 0.0028169 k( 130) = ( -0.1363566 0.1363566 0.1363566), wk = 0.0028169 k( 131) = ( -0.1304280 0.1304280 0.1304280), wk = 0.0028169 k( 132) = ( -0.1244995 0.1244995 0.1244995), wk = 0.0028169 k( 133) = ( -0.1185709 0.1185709 0.1185709), wk = 0.0028169 k( 134) = ( -0.1126424 0.1126424 0.1126424), wk = 0.0028169 k( 135) = ( -0.1067138 0.1067139 0.1067138), wk = 0.0028169 k( 136) = ( -0.1007853 0.1007853 0.1007853), wk = 0.0028169 k( 137) = ( -0.0948568 0.0948568 0.0948568), wk = 0.0028169 k( 138) = ( -0.0889282 0.0889282 0.0889282), wk = 0.0028169 k( 139) = ( -0.0829997 0.0829997 0.0829997), wk = 0.0028169 k( 140) = ( -0.0770711 0.0770711 0.0770711), wk = 0.0028169 k( 141) = ( -0.0711426 0.0711426 0.0711426), wk = 0.0028169 k( 142) = ( -0.0652140 0.0652140 0.0652140), wk = 0.0028169 k( 143) = ( -0.0592855 0.0592855 0.0592855), wk = 0.0028169 k( 144) = ( -0.0533569 0.0533569 0.0533569), wk = 0.0028169 k( 145) = ( -0.0474284 0.0474284 0.0474284), wk = 0.0028169 k( 146) = ( -0.0414998 0.0414998 0.0414998), wk = 0.0028169 k( 147) = ( -0.0355713 0.0355713 0.0355713), wk = 0.0028169 k( 148) = ( -0.0296427 0.0296427 0.0296427), wk = 0.0028169 k( 149) = ( -0.0237142 0.0237142 0.0237142), wk = 0.0028169 k( 150) = ( -0.0177856 0.0177856 0.0177856), wk = 0.0028169 k( 151) = ( -0.0118571 0.0118571 0.0118571), wk = 0.0028169 k( 152) = ( -0.0059286 0.0059286 0.0059285), wk = 0.0028169 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 155) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0028169 k( 156) = ( 0.0454546 0.0454545 -0.0454545), wk = 0.0028169 k( 157) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0028169 k( 158) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0028169 k( 159) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0028169 k( 160) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0028169 k( 161) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0028169 k( 162) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0028169 k( 163) = ( 0.2045454 0.2045454 -0.2045454), wk = 0.0028169 k( 164) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0028169 k( 165) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028169 k( 166) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0028169 k( 167) = ( 0.2954545 0.2954545 -0.2954545), wk = 0.0028169 k( 168) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0028169 k( 169) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0028169 k( 170) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0028169 k( 171) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0028169 k( 172) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0028169 k( 173) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0028169 k( 174) = ( 0.4545455 0.4545454 -0.4545454), wk = 0.0028169 k( 175) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0028169 k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028169 k( 177) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028169 k( 178) = ( 0.4941696 0.5058304 -0.4941696), wk = 0.0028169 k( 179) = ( 0.4883392 0.5116608 -0.4883392), wk = 0.0028169 k( 180) = ( 0.4825088 0.5174911 -0.4825088), wk = 0.0028169 k( 181) = ( 0.4766785 0.5233215 -0.4766785), wk = 0.0028169 k( 182) = ( 0.4708481 0.5291519 -0.4708481), wk = 0.0028169 k( 183) = ( 0.4650177 0.5349823 -0.4650177), wk = 0.0028169 k( 184) = ( 0.4591873 0.5408127 -0.4591873), wk = 0.0028169 k( 185) = ( 0.4533569 0.5466431 -0.4533569), wk = 0.0028169 k( 186) = ( 0.4475265 0.5524735 -0.4475265), wk = 0.0028169 k( 187) = ( 0.4416962 0.5583038 -0.4416962), wk = 0.0028169 k( 188) = ( 0.4358658 0.5641342 -0.4358658), wk = 0.0028169 k( 189) = ( 0.4300354 0.5699646 -0.4300354), wk = 0.0028169 k( 190) = ( 0.4242050 0.5757950 -0.4242050), wk = 0.0028169 k( 191) = ( 0.4183746 0.5816254 -0.4183746), wk = 0.0028169 k( 192) = ( 0.4125442 0.5874558 -0.4125442), wk = 0.0028169 k( 193) = ( 0.4067138 0.5932861 -0.4067138), wk = 0.0028169 k( 194) = ( 0.4008835 0.5991165 -0.4008835), wk = 0.0028169 k( 195) = ( 0.3950531 0.6049469 -0.3950531), wk = 0.0028169 k( 196) = ( 0.3892227 0.6107773 -0.3892227), wk = 0.0028169 k( 197) = ( 0.3833923 0.6166077 -0.3833923), wk = 0.0028169 k( 198) = ( 0.3775619 0.6224381 -0.3775619), wk = 0.0028169 k( 199) = ( 0.3717315 0.6282685 -0.3717315), wk = 0.0028169 k( 200) = ( 0.3659012 0.6340988 -0.3659012), wk = 0.0028169 k( 201) = ( 0.3600708 0.6399292 -0.3600708), wk = 0.0028169 k( 202) = ( 0.3542404 0.6457596 -0.3542404), wk = 0.0028169 k( 203) = ( 0.3484100 0.6515900 -0.3484100), wk = 0.0028169 k( 204) = ( 0.3425796 0.6574204 -0.3425796), wk = 0.0028169 k( 205) = ( 0.3367492 0.6632508 -0.3367492), wk = 0.0028169 k( 206) = ( 0.3309188 0.6690812 -0.3309188), wk = 0.0028169 k( 207) = ( 0.3250885 0.6749115 -0.3250885), wk = 0.0028169 k( 208) = ( 0.3192581 0.6807419 -0.3192581), wk = 0.0028169 k( 209) = ( 0.3134277 0.6865723 -0.3134277), wk = 0.0028169 k( 210) = ( 0.3075973 0.6924027 -0.3075973), wk = 0.0028169 k( 211) = ( 0.3017669 0.6982331 -0.3017669), wk = 0.0028169 k( 212) = ( 0.2959366 0.7040634 -0.2959365), wk = 0.0028169 k( 213) = ( 0.2901062 0.7098938 -0.2901062), wk = 0.0028169 k( 214) = ( 0.2842758 0.7157242 -0.2842758), wk = 0.0028169 k( 215) = ( 0.2784454 0.7215546 -0.2784454), wk = 0.0028169 k( 216) = ( 0.2726150 0.7273850 -0.2726150), wk = 0.0028169 k( 217) = ( 0.2667846 0.7332154 -0.2667846), wk = 0.0028169 k( 218) = ( 0.2667846 0.7332154 -0.2667846), wk = 0.0028169 k( 219) = ( 0.2445526 0.7137808 -0.2445526), wk = 0.0028169 k( 220) = ( 0.2223205 0.6943461 -0.2223205), wk = 0.0028169 k( 221) = ( 0.2000885 0.6749115 -0.2000885), wk = 0.0028169 k( 222) = ( 0.1778564 0.6554769 -0.1778564), wk = 0.0028169 k( 223) = ( 0.1556244 0.6360423 -0.1556244), wk = 0.0028169 k( 224) = ( 0.1333923 0.6166077 -0.1333923), wk = 0.0028169 k( 225) = ( 0.1111603 0.5971731 -0.1111603), wk = 0.0028169 k( 226) = ( 0.0889282 0.5777385 -0.0889282), wk = 0.0028169 k( 227) = ( 0.0666962 0.5583038 -0.0666962), wk = 0.0028169 k( 228) = ( 0.0444641 0.5388692 -0.0444641), wk = 0.0028169 k( 229) = ( 0.0222320 0.5194346 -0.0222320), wk = 0.0028169 k( 230) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028169 k( 231) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028169 k( 232) = ( 0.0059524 0.4940476 0.0059524), wk = 0.0028169 k( 233) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0028169 k( 234) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0028169 k( 235) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0028169 k( 236) = ( 0.0297619 0.4702381 0.0297619), wk = 0.0028169 k( 237) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0028169 k( 238) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0028169 k( 239) = ( 0.0476191 0.4523810 0.0476190), wk = 0.0028169 k( 240) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0028169 k( 241) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0028169 k( 242) = ( 0.0654762 0.4345238 0.0654762), wk = 0.0028169 k( 243) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0028169 k( 244) = ( 0.0773810 0.4226190 0.0773810), wk = 0.0028169 k( 245) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0028169 k( 246) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0028169 k( 247) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0028169 k( 248) = ( 0.1011905 0.3988095 0.1011905), wk = 0.0028169 k( 249) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0028169 k( 250) = ( 0.1130952 0.3869048 0.1130952), wk = 0.0028169 k( 251) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0028169 k( 252) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028169 k( 253) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0028169 k( 254) = ( 0.1369048 0.3630952 0.1369048), wk = 0.0028169 k( 255) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0028169 k( 256) = ( 0.1488095 0.3511905 0.1488095), wk = 0.0028169 k( 257) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0028169 k( 258) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0028169 k( 259) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0028169 k( 260) = ( 0.1726190 0.3273810 0.1726190), wk = 0.0028169 k( 261) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0028169 k( 262) = ( 0.1845238 0.3154762 0.1845238), wk = 0.0028169 k( 263) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0028169 k( 264) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0028169 k( 265) = ( 0.2023810 0.2976190 0.2023810), wk = 0.0028169 k( 266) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0028169 k( 267) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0028169 k( 268) = ( 0.2202381 0.2797619 0.2202381), wk = 0.0028169 k( 269) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0028169 k( 270) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0028169 k( 271) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0028169 k( 272) = ( 0.2440476 0.2559524 0.2440476), wk = 0.0028169 k( 273) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028169 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028169 k( 275) = ( 0.2708333 0.2708333 0.2263692), wk = 0.0028169 k( 276) = ( 0.2916667 0.2916667 0.2027385), wk = 0.0028169 k( 277) = ( 0.3125000 0.3125000 0.1791077), wk = 0.0028169 k( 278) = ( 0.3333333 0.3333333 0.1554769), wk = 0.0028169 k( 279) = ( 0.3541667 0.3541667 0.1318461), wk = 0.0028169 k( 280) = ( 0.3750000 0.3750000 0.1082154), wk = 0.0028169 k( 281) = ( 0.3958333 0.3958333 0.0845846), wk = 0.0028169 k( 282) = ( 0.4166667 0.4166667 0.0609538), wk = 0.0028169 k( 283) = ( 0.4375000 0.4375000 0.0373231), wk = 0.0028169 k( 284) = ( 0.4583333 0.4583333 0.0136923), wk = 0.0028169 k( 285) = ( 0.4791667 0.4791667 -0.0099385), wk = 0.0028169 k( 286) = ( 0.5000000 0.5000000 -0.0335692), wk = 0.0028169 k( 287) = ( 0.5000000 0.5000000 -0.0335692), wk = 0.0028169 k( 288) = ( 0.5000000 0.5000000 -0.0418984), wk = 0.0028169 k( 289) = ( 0.5000000 0.5000000 -0.0502275), wk = 0.0028169 k( 290) = ( 0.5000000 0.5000000 -0.0585566), wk = 0.0028169 k( 291) = ( 0.5000000 0.5000000 -0.0668857), wk = 0.0028169 k( 292) = ( 0.5000000 0.5000000 -0.0752148), wk = 0.0028169 k( 293) = ( 0.5000000 0.5000000 -0.0835440), wk = 0.0028169 k( 294) = ( 0.5000000 0.5000000 -0.0918731), wk = 0.0028169 k( 295) = ( 0.5000000 0.5000000 -0.1002022), wk = 0.0028169 k( 296) = ( 0.5000000 0.5000000 -0.1085313), wk = 0.0028169 k( 297) = ( 0.5000000 0.5000000 -0.1168605), wk = 0.0028169 k( 298) = ( 0.5000000 0.5000000 -0.1251896), wk = 0.0028169 k( 299) = ( 0.5000000 0.5000000 -0.1335187), wk = 0.0028169 k( 300) = ( 0.5000000 0.5000000 -0.1418478), wk = 0.0028169 k( 301) = ( 0.5000000 0.5000000 -0.1501769), wk = 0.0028169 k( 302) = ( 0.5000000 0.5000000 -0.1585061), wk = 0.0028169 k( 303) = ( 0.5000000 0.5000000 -0.1668352), wk = 0.0028169 k( 304) = ( 0.5000000 0.5000000 -0.1751643), wk = 0.0028169 k( 305) = ( 0.5000000 0.5000000 -0.1834934), wk = 0.0028169 k( 306) = ( 0.5000000 0.5000000 -0.1918225), wk = 0.0028169 k( 307) = ( 0.5000000 0.5000000 -0.2001517), wk = 0.0028169 k( 308) = ( 0.5000000 0.5000000 -0.2084808), wk = 0.0028169 k( 309) = ( 0.5000000 0.5000000 -0.2168099), wk = 0.0028169 k( 310) = ( 0.5000000 0.5000000 -0.2251390), wk = 0.0028169 k( 311) = ( 0.5000000 0.5000000 -0.2334681), wk = 0.0028169 k( 312) = ( 0.5000000 0.5000000 -0.2417973), wk = 0.0028169 k( 313) = ( 0.5000000 0.5000000 -0.2501264), wk = 0.0028169 k( 314) = ( 0.5000000 0.5000000 -0.2584555), wk = 0.0028169 k( 315) = ( 0.5000000 0.5000000 -0.2667846), wk = 0.0028169 k( 316) = ( 0.5000000 0.5000000 -0.2751137), wk = 0.0028169 k( 317) = ( 0.5000000 0.5000000 -0.2834429), wk = 0.0028169 k( 318) = ( 0.5000000 0.5000000 -0.2917720), wk = 0.0028169 k( 319) = ( 0.5000000 0.5000000 -0.3001011), wk = 0.0028169 k( 320) = ( 0.5000000 0.5000000 -0.3084302), wk = 0.0028169 k( 321) = ( 0.5000000 0.5000000 -0.3167593), wk = 0.0028169 k( 322) = ( 0.5000000 0.5000000 -0.3250885), wk = 0.0028169 k( 323) = ( 0.5000000 0.5000000 -0.3334176), wk = 0.0028169 k( 324) = ( 0.5000000 0.5000000 -0.3417467), wk = 0.0028169 k( 325) = ( 0.5000000 0.5000000 -0.3500758), wk = 0.0028169 k( 326) = ( 0.5000000 0.5000000 -0.3584049), wk = 0.0028169 k( 327) = ( 0.5000000 0.5000000 -0.3667341), wk = 0.0028169 k( 328) = ( 0.5000000 0.5000000 -0.3750632), wk = 0.0028169 k( 329) = ( 0.5000000 0.5000000 -0.3833923), wk = 0.0028169 k( 330) = ( 0.5000000 0.5000000 -0.3917214), wk = 0.0028169 k( 331) = ( 0.5000000 0.5000000 -0.4000505), wk = 0.0028169 k( 332) = ( 0.5000000 0.5000000 -0.4083797), wk = 0.0028169 k( 333) = ( 0.5000000 0.5000000 -0.4167088), wk = 0.0028169 k( 334) = ( 0.5000000 0.5000000 -0.4250379), wk = 0.0028169 k( 335) = ( 0.5000000 0.5000000 -0.4333670), wk = 0.0028169 k( 336) = ( 0.5000000 0.5000000 -0.4416962), wk = 0.0028169 k( 337) = ( 0.5000000 0.5000000 -0.4500253), wk = 0.0028169 k( 338) = ( 0.5000000 0.5000000 -0.4583544), wk = 0.0028169 k( 339) = ( 0.5000000 0.5000000 -0.4666835), wk = 0.0028169 k( 340) = ( 0.5000000 0.5000000 -0.4750126), wk = 0.0028169 k( 341) = ( 0.5000000 0.5000000 -0.4833418), wk = 0.0028169 k( 342) = ( 0.5000000 0.5000000 -0.4916709), wk = 0.0028169 k( 343) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028169 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 345) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0028169 k( 346) = ( 0.0454546 0.0454545 0.4545455), wk = 0.0028169 k( 347) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0028169 k( 348) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0028169 k( 349) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0028169 k( 350) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0028169 k( 351) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0028169 k( 352) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0028169 k( 353) = ( 0.2045454 0.2045454 0.2954546), wk = 0.0028169 k( 354) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0028169 k( 355) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028169 Dense grid: 191199 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 32877 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 242, 50) NL pseudopotentials 0.24 Mb ( 121, 128) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.04 Mb ( 5312) G-vector shells 0.02 Mb ( 2413) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 242, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 128, 2, 50) The potential is recalculated from file : ./ZrVGe.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.6 secs Computing kpt #: 7 total cpu time spent up to now is 12.8 secs Computing kpt #: 8 total cpu time spent up to now is 14.0 secs Computing kpt #: 9 total cpu time spent up to now is 15.2 secs Computing kpt #: 10 total cpu time spent up to now is 16.3 secs Computing kpt #: 11 total cpu time spent up to now is 17.5 secs Computing kpt #: 12 total cpu time spent up to now is 18.8 secs Computing kpt #: 13 total cpu time spent up to now is 20.1 secs Computing kpt #: 14 total cpu time spent up to now is 21.6 secs Computing kpt #: 15 total cpu time spent up to now is 23.1 secs Computing kpt #: 16 total cpu time spent up to now is 24.4 secs Computing kpt #: 17 total cpu time spent up to now is 25.8 secs Computing kpt #: 18 total cpu time spent up to now is 27.1 secs Computing kpt #: 19 total cpu time spent up to now is 28.6 secs Computing kpt #: 20 total cpu time spent up to now is 30.1 secs Computing kpt #: 21 total cpu time spent up to now is 31.7 secs Computing kpt #: 22 total cpu time spent up to now is 33.3 secs Computing kpt #: 23 total cpu time spent up to now is 34.9 secs Computing kpt #: 24 total cpu time spent up to now is 36.4 secs Computing kpt #: 25 total cpu time spent up to now is 38.0 secs Computing kpt #: 26 total cpu time spent up to now is 39.6 secs Computing kpt #: 27 total cpu time spent up to now is 41.1 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.7 secs Computing kpt #: 29 total cpu time spent up to now is 46.3 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.9 secs Computing kpt #: 31 total cpu time spent up to now is 50.3 secs Computing kpt #: 32 total cpu time spent up to now is 51.8 secs Computing kpt #: 33 total cpu time spent up to now is 53.3 secs Computing kpt #: 34 total cpu time spent up to now is 54.8 secs Computing kpt #: 35 total cpu time spent up to now is 56.4 secs Computing kpt #: 36 total cpu time spent up to now is 57.7 secs Computing kpt #: 37 total cpu time spent up to now is 59.2 secs Computing kpt #: 38 total cpu time spent up to now is 60.7 secs Computing kpt #: 39 total cpu time spent up to now is 62.0 secs Computing kpt #: 40 total cpu time spent up to now is 63.5 secs Computing kpt #: 41 total cpu time spent up to now is 65.0 secs Computing kpt #: 42 total cpu time spent up to now is 66.2 secs Computing kpt #: 43 total cpu time spent up to now is 67.2 secs Computing kpt #: 44 total cpu time spent up to now is 68.4 secs Computing kpt #: 45 total cpu time spent up to now is 69.6 secs Computing kpt #: 46 total cpu time spent up to now is 70.7 secs Computing kpt #: 47 total cpu time spent up to now is 71.9 secs Computing kpt #: 48 total cpu time spent up to now is 73.1 secs Computing kpt #: 49 total cpu time spent up to now is 74.4 secs Computing kpt #: 50 total cpu time spent up to now is 75.6 secs Computing kpt #: 51 total cpu time spent up to now is 76.9 secs Computing kpt #: 52 total cpu time spent up to now is 78.1 secs Computing kpt #: 53 total cpu time spent up to now is 79.4 secs Computing kpt #: 54 total cpu time spent up to now is 80.6 secs Computing kpt #: 55 total cpu time spent up to now is 81.8 secs Computing kpt #: 56 total cpu time spent up to now is 83.0 secs Computing kpt #: 57 total cpu time spent up to now is 84.2 secs Computing kpt #: 58 total cpu time spent up to now is 85.3 secs Computing kpt #: 59 total cpu time spent up to now is 86.5 secs Computing kpt #: 60 total cpu time spent up to now is 87.7 secs Computing kpt #: 61 total cpu time spent up to now is 88.9 secs Computing kpt #: 62 total cpu time spent up to now is 90.1 secs Computing kpt #: 63 total cpu time spent up to now is 91.3 secs Computing kpt #: 64 total cpu time spent up to now is 92.4 secs Computing kpt #: 65 total cpu time spent up to now is 93.6 secs Computing kpt #: 66 total cpu time spent up to now is 94.8 secs Computing kpt #: 67 total cpu time spent up to now is 96.0 secs Computing kpt #: 68 total cpu time spent up to now is 97.2 secs Computing kpt #: 69 total cpu time spent up to now is 98.5 secs Computing kpt #: 70 total cpu time spent up to now is 99.6 secs Computing kpt #: 71 total cpu time spent up to now is 100.9 secs Computing kpt #: 72 total cpu time spent up to now is 102.3 secs Computing kpt #: 73 total cpu time spent up to now is 104.0 secs Computing kpt #: 74 total cpu time spent up to now is 105.4 secs Computing kpt #: 75 total cpu time spent up to now is 106.8 secs Computing kpt #: 76 total cpu time spent up to now is 108.2 secs Computing kpt #: 77 total cpu time spent up to now is 109.6 secs Computing kpt #: 78 total cpu time spent up to now is 111.2 secs Computing kpt #: 79 total cpu time spent up to now is 112.8 secs Computing kpt #: 80 total cpu time spent up to now is 114.4 secs Computing kpt #: 81 total cpu time spent up to now is 116.5 secs Computing kpt #: 82 total cpu time spent up to now is 118.2 secs Computing kpt #: 83 total cpu time spent up to now is 119.9 secs Computing kpt #: 84 total cpu time spent up to now is 121.5 secs Computing kpt #: 85 total cpu time spent up to now is 123.1 secs Computing kpt #: 86 total cpu time spent up to now is 124.8 secs Computing kpt #: 87 total cpu time spent up to now is 126.5 secs Computing kpt #: 88 total cpu time spent up to now is 128.1 secs Computing kpt #: 89 total cpu time spent up to now is 129.7 secs Computing kpt #: 90 total cpu time spent up to now is 131.4 secs Computing kpt #: 91 total cpu time spent up to now is 132.8 secs Computing kpt #: 92 total cpu time spent up to now is 134.4 secs Computing kpt #: 93 total cpu time spent up to now is 136.0 secs Computing kpt #: 94 total cpu time spent up to now is 137.5 secs Computing kpt #: 95 total cpu time spent up to now is 139.2 secs Computing kpt #: 96 total cpu time spent up to now is 140.6 secs Computing kpt #: 97 total cpu time spent up to now is 142.0 secs Computing kpt #: 98 total cpu time spent up to now is 143.4 secs Computing kpt #: 99 total cpu time spent up to now is 144.7 secs Computing kpt #: 100 total cpu time spent up to now is 146.1 secs Computing kpt #: 101 total cpu time spent up to now is 147.5 secs Computing kpt #: 102 total cpu time spent up to now is 148.8 secs Computing kpt #: 103 total cpu time spent up to now is 150.0 secs Computing kpt #: 104 total cpu time spent up to now is 151.4 secs Computing kpt #: 105 total cpu time spent up to now is 152.8 secs Computing kpt #: 106 total cpu time spent up to now is 154.0 secs Computing kpt #: 107 total cpu time spent up to now is 155.4 secs Computing kpt #: 108 total cpu time spent up to now is 156.6 secs Computing kpt #: 109 total cpu time spent up to now is 157.8 secs Computing kpt #: 110 total cpu time spent up to now is 159.2 secs Computing kpt #: 111 total cpu time spent up to now is 160.5 secs Computing kpt #: 112 total cpu time spent up to now is 161.9 secs Computing kpt #: 113 total cpu time spent up to now is 163.2 secs Computing kpt #: 114 total cpu time spent up to now is 164.6 secs Computing kpt #: 115 total cpu time spent up to now is 166.0 secs Computing kpt #: 116 total cpu time spent up to now is 167.5 secs Computing kpt #: 117 total cpu time spent up to now is 169.2 secs Computing kpt #: 118 total cpu time spent up to now is 170.8 secs Computing kpt #: 119 total cpu time spent up to now is 172.0 secs Computing kpt #: 120 total cpu time spent up to now is 173.2 secs Computing kpt #: 121 total cpu time spent up to now is 174.4 secs Computing kpt #: 122 total cpu time spent up to now is 175.6 secs Computing kpt #: 123 total cpu time spent up to now is 177.2 secs Computing kpt #: 124 total cpu time spent up to now is 178.7 secs Computing kpt #: 125 total cpu time spent up to now is 180.0 secs Computing kpt #: 126 total cpu time spent up to now is 181.8 secs Computing kpt #: 127 total cpu time spent up to now is 183.1 secs Computing kpt #: 128 total cpu time spent up to now is 185.5 secs Computing kpt #: 129 total cpu time spent up to now is 187.0 secs Computing kpt #: 130 total cpu time spent up to now is 188.8 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.4 secs Computing kpt #: 132 total cpu time spent up to now is 193.6 secs Computing kpt #: 133 total cpu time spent up to now is 196.1 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.6 secs Computing kpt #: 135 total cpu time spent up to now is 200.8 secs Computing kpt #: 136 total cpu time spent up to now is 202.6 secs Computing kpt #: 137 total cpu time spent up to now is 204.4 secs Computing kpt #: 138 total cpu time spent up to now is 206.0 secs Computing kpt #: 139 total cpu time spent up to now is 207.4 secs Computing kpt #: 140 total cpu time spent up to now is 209.0 secs Computing kpt #: 141 total cpu time spent up to now is 210.2 secs Computing kpt #: 142 total cpu time spent up to now is 211.4 secs Computing kpt #: 143 total cpu time spent up to now is 212.6 secs Computing kpt #: 144 total cpu time spent up to now is 213.8 secs Computing kpt #: 145 total cpu time spent up to now is 214.8 secs Computing kpt #: 146 total cpu time spent up to now is 215.9 secs Computing kpt #: 147 total cpu time spent up to now is 217.0 secs Computing kpt #: 148 total cpu time spent up to now is 218.2 secs Computing kpt #: 149 total cpu time spent up to now is 219.4 secs Computing kpt #: 150 total cpu time spent up to now is 221.1 secs Computing kpt #: 151 total cpu time spent up to now is 222.3 secs Computing kpt #: 152 total cpu time spent up to now is 224.1 secs Computing kpt #: 153 total cpu time spent up to now is 226.1 secs Computing kpt #: 154 total cpu time spent up to now is 227.3 secs Computing kpt #: 155 total cpu time spent up to now is 229.0 secs Computing kpt #: 156 total cpu time spent up to now is 230.8 secs Computing kpt #: 157 total cpu time spent up to now is 232.0 secs Computing kpt #: 158 total cpu time spent up to now is 233.2 secs Computing kpt #: 159 total cpu time spent up to now is 234.4 secs Computing kpt #: 160 total cpu time spent up to now is 235.6 secs Computing kpt #: 161 total cpu time spent up to now is 236.8 secs Computing kpt #: 162 total cpu time spent up to now is 237.9 secs Computing kpt #: 163 total cpu time spent up to now is 239.1 secs Computing kpt #: 164 total cpu time spent up to now is 240.1 secs Computing kpt #: 165 total cpu time spent up to now is 241.3 secs Computing kpt #: 166 total cpu time spent up to now is 242.6 secs Computing kpt #: 167 total cpu time spent up to now is 243.6 secs Computing kpt #: 168 total cpu time spent up to now is 244.8 secs Computing kpt #: 169 total cpu time spent up to now is 245.9 secs Computing kpt #: 170 total cpu time spent up to now is 247.4 secs Computing kpt #: 171 total cpu time spent up to now is 248.6 secs Computing kpt #: 172 total cpu time spent up to now is 249.9 secs Computing kpt #: 173 total cpu time spent up to now is 251.2 secs Computing kpt #: 174 total cpu time spent up to now is 252.4 secs Computing kpt #: 175 total cpu time spent up to now is 254.0 secs Computing kpt #: 176 total cpu time spent up to now is 255.3 secs Computing kpt #: 177 total cpu time spent up to now is 256.5 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.0 secs Computing kpt #: 179 total cpu time spent up to now is 260.6 secs Computing kpt #: 180 total cpu time spent up to now is 262.3 secs Computing kpt #: 181 total cpu time spent up to now is 264.1 secs Computing kpt #: 182 total cpu time spent up to now is 265.6 secs Computing kpt #: 183 total cpu time spent up to now is 266.9 secs Computing kpt #: 184 total cpu time spent up to now is 268.1 secs Computing kpt #: 185 total cpu time spent up to now is 269.3 secs Computing kpt #: 186 total cpu time spent up to now is 270.5 secs Computing kpt #: 187 total cpu time spent up to now is 271.8 secs Computing kpt #: 188 total cpu time spent up to now is 272.9 secs Computing kpt #: 189 total cpu time spent up to now is 274.2 secs Computing kpt #: 190 total cpu time spent up to now is 275.4 secs Computing kpt #: 191 total cpu time spent up to now is 276.6 secs Computing kpt #: 192 total cpu time spent up to now is 278.0 secs Computing kpt #: 193 total cpu time spent up to now is 279.5 secs Computing kpt #: 194 total cpu time spent up to now is 281.1 secs Computing kpt #: 195 total cpu time spent up to now is 282.7 secs Computing kpt #: 196 total cpu time spent up to now is 284.4 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.0 secs Computing kpt #: 198 total cpu time spent up to now is 289.5 secs Computing kpt #: 199 total cpu time spent up to now is 291.3 secs Computing kpt #: 200 total cpu time spent up to now is 292.8 secs Computing kpt #: 201 total cpu time spent up to now is 294.4 secs Computing kpt #: 202 total cpu time spent up to now is 296.0 secs Computing kpt #: 203 total cpu time spent up to now is 297.6 secs Computing kpt #: 204 total cpu time spent up to now is 299.2 secs Computing kpt #: 205 total cpu time spent up to now is 300.7 secs Computing kpt #: 206 total cpu time spent up to now is 302.3 secs Computing kpt #: 207 total cpu time spent up to now is 303.8 secs Computing kpt #: 208 total cpu time spent up to now is 305.0 secs Computing kpt #: 209 total cpu time spent up to now is 306.0 secs Computing kpt #: 210 total cpu time spent up to now is 307.3 secs Computing kpt #: 211 total cpu time spent up to now is 308.8 secs Computing kpt #: 212 total cpu time spent up to now is 310.0 secs Computing kpt #: 213 total cpu time spent up to now is 311.3 secs Computing kpt #: 214 total cpu time spent up to now is 312.6 secs Computing kpt #: 215 total cpu time spent up to now is 313.9 secs Computing kpt #: 216 total cpu time spent up to now is 315.2 secs Computing kpt #: 217 total cpu time spent up to now is 316.5 secs Computing kpt #: 218 total cpu time spent up to now is 317.8 secs Computing kpt #: 219 total cpu time spent up to now is 319.0 secs Computing kpt #: 220 total cpu time spent up to now is 320.3 secs Computing kpt #: 221 total cpu time spent up to now is 321.6 secs Computing kpt #: 222 total cpu time spent up to now is 322.9 secs Computing kpt #: 223 total cpu time spent up to now is 324.1 secs Computing kpt #: 224 total cpu time spent up to now is 325.4 secs Computing kpt #: 225 total cpu time spent up to now is 326.6 secs Computing kpt #: 226 total cpu time spent up to now is 327.8 secs Computing kpt #: 227 total cpu time spent up to now is 329.0 secs Computing kpt #: 228 total cpu time spent up to now is 330.2 secs Computing kpt #: 229 total cpu time spent up to now is 331.4 secs Computing kpt #: 230 total cpu time spent up to now is 332.7 secs Computing kpt #: 231 total cpu time spent up to now is 333.9 secs Computing kpt #: 232 total cpu time spent up to now is 335.1 secs Computing kpt #: 233 total cpu time spent up to now is 336.4 secs Computing kpt #: 234 total cpu time spent up to now is 337.7 secs Computing kpt #: 235 total cpu time spent up to now is 339.1 secs Computing kpt #: 236 total cpu time spent up to now is 340.4 secs Computing kpt #: 237 total cpu time spent up to now is 341.7 secs Computing kpt #: 238 total cpu time spent up to now is 343.0 secs Computing kpt #: 239 total cpu time spent up to now is 344.2 secs Computing kpt #: 240 total cpu time spent up to now is 345.5 secs Computing kpt #: 241 total cpu time spent up to now is 346.8 secs Computing kpt #: 242 total cpu time spent up to now is 348.1 secs Computing kpt #: 243 total cpu time spent up to now is 349.4 secs Computing kpt #: 244 total cpu time spent up to now is 350.7 secs Computing kpt #: 245 total cpu time spent up to now is 352.1 secs Computing kpt #: 246 total cpu time spent up to now is 353.4 secs Computing kpt #: 247 total cpu time spent up to now is 354.8 secs Computing kpt #: 248 total cpu time spent up to now is 356.2 secs Computing kpt #: 249 total cpu time spent up to now is 357.6 secs Computing kpt #: 250 total cpu time spent up to now is 359.0 secs Computing kpt #: 251 total cpu time spent up to now is 360.4 secs Computing kpt #: 252 total cpu time spent up to now is 361.8 secs Computing kpt #: 253 total cpu time spent up to now is 363.4 secs Computing kpt #: 254 total cpu time spent up to now is 364.9 secs Computing kpt #: 255 total cpu time spent up to now is 366.5 secs Computing kpt #: 256 total cpu time spent up to now is 368.1 secs Computing kpt #: 257 total cpu time spent up to now is 369.6 secs Computing kpt #: 258 total cpu time spent up to now is 371.3 secs Computing kpt #: 259 total cpu time spent up to now is 372.7 secs Computing kpt #: 260 total cpu time spent up to now is 374.2 secs Computing kpt #: 261 total cpu time spent up to now is 375.8 secs Computing kpt #: 262 total cpu time spent up to now is 377.0 secs Computing kpt #: 263 total cpu time spent up to now is 378.2 secs Computing kpt #: 264 total cpu time spent up to now is 379.6 secs Computing kpt #: 265 total cpu time spent up to now is 380.8 secs Computing kpt #: 266 total cpu time spent up to now is 382.0 secs Computing kpt #: 267 total cpu time spent up to now is 383.5 secs Computing kpt #: 268 total cpu time spent up to now is 384.6 secs Computing kpt #: 269 total cpu time spent up to now is 385.8 secs Computing kpt #: 270 total cpu time spent up to now is 387.0 secs Computing kpt #: 271 total cpu time spent up to now is 388.2 secs Computing kpt #: 272 total cpu time spent up to now is 389.2 secs Computing kpt #: 273 total cpu time spent up to now is 390.4 secs Computing kpt #: 274 total cpu time spent up to now is 391.6 secs Computing kpt #: 275 total cpu time spent up to now is 392.8 secs Computing kpt #: 276 total cpu time spent up to now is 393.9 secs Computing kpt #: 277 total cpu time spent up to now is 395.0 secs Computing kpt #: 278 total cpu time spent up to now is 396.2 secs Computing kpt #: 279 total cpu time spent up to now is 397.4 secs Computing kpt #: 280 total cpu time spent up to now is 398.8 secs Computing kpt #: 281 total cpu time spent up to now is 400.0 secs Computing kpt #: 282 total cpu time spent up to now is 401.1 secs Computing kpt #: 283 total cpu time spent up to now is 402.3 secs Computing kpt #: 284 total cpu time spent up to now is 403.5 secs Computing kpt #: 285 total cpu time spent up to now is 404.7 secs Computing kpt #: 286 total cpu time spent up to now is 405.9 secs Computing kpt #: 287 total cpu time spent up to now is 407.1 secs Computing kpt #: 288 total cpu time spent up to now is 408.3 secs Computing kpt #: 289 total cpu time spent up to now is 409.5 secs Computing kpt #: 290 total cpu time spent up to now is 410.8 secs Computing kpt #: 291 total cpu time spent up to now is 412.2 secs Computing kpt #: 292 total cpu time spent up to now is 413.8 secs Computing kpt #: 293 total cpu time spent up to now is 415.1 secs Computing kpt #: 294 total cpu time spent up to now is 417.1 secs Computing kpt #: 295 total cpu time spent up to now is 418.7 secs Computing kpt #: 296 total cpu time spent up to now is 420.2 secs Computing kpt #: 297 total cpu time spent up to now is 421.8 secs Computing kpt #: 298 total cpu time spent up to now is 423.4 secs Computing kpt #: 299 total cpu time spent up to now is 425.0 secs Computing kpt #: 300 total cpu time spent up to now is 426.4 secs Computing kpt #: 301 total cpu time spent up to now is 427.8 secs Computing kpt #: 302 total cpu time spent up to now is 429.2 secs Computing kpt #: 303 total cpu time spent up to now is 430.6 secs Computing kpt #: 304 total cpu time spent up to now is 431.9 secs Computing kpt #: 305 total cpu time spent up to now is 433.2 secs Computing kpt #: 306 total cpu time spent up to now is 434.6 secs Computing kpt #: 307 total cpu time spent up to now is 436.0 secs Computing kpt #: 308 total cpu time spent up to now is 437.6 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.2 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.8 secs Computing kpt #: 311 total cpu time spent up to now is 445.2 secs Computing kpt #: 312 total cpu time spent up to now is 447.1 secs Computing kpt #: 313 total cpu time spent up to now is 448.7 secs Computing kpt #: 314 total cpu time spent up to now is 450.2 secs Computing kpt #: 315 total cpu time spent up to now is 451.7 secs Computing kpt #: 316 total cpu time spent up to now is 453.2 secs Computing kpt #: 317 total cpu time spent up to now is 454.7 secs Computing kpt #: 318 total cpu time spent up to now is 456.2 secs Computing kpt #: 319 total cpu time spent up to now is 457.7 secs Computing kpt #: 320 total cpu time spent up to now is 459.2 secs Computing kpt #: 321 total cpu time spent up to now is 460.7 secs Computing kpt #: 322 total cpu time spent up to now is 462.0 secs Computing kpt #: 323 total cpu time spent up to now is 463.1 secs Computing kpt #: 324 total cpu time spent up to now is 464.3 secs Computing kpt #: 325 total cpu time spent up to now is 465.5 secs Computing kpt #: 326 total cpu time spent up to now is 466.8 secs Computing kpt #: 327 total cpu time spent up to now is 468.3 secs Computing kpt #: 328 total cpu time spent up to now is 469.9 secs Computing kpt #: 329 total cpu time spent up to now is 471.2 secs Computing kpt #: 330 total cpu time spent up to now is 472.6 secs Computing kpt #: 331 total cpu time spent up to now is 473.9 secs Computing kpt #: 332 total cpu time spent up to now is 475.3 secs Computing kpt #: 333 total cpu time spent up to now is 476.7 secs Computing kpt #: 334 total cpu time spent up to now is 478.1 secs Computing kpt #: 335 total cpu time spent up to now is 479.6 secs Computing kpt #: 336 total cpu time spent up to now is 481.2 secs Computing kpt #: 337 total cpu time spent up to now is 482.6 secs Computing kpt #: 338 total cpu time spent up to now is 484.3 secs Computing kpt #: 339 total cpu time spent up to now is 486.1 secs Computing kpt #: 340 total cpu time spent up to now is 488.1 secs Computing kpt #: 341 total cpu time spent up to now is 489.7 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.4 secs Computing kpt #: 343 total cpu time spent up to now is 493.6 secs Computing kpt #: 344 total cpu time spent up to now is 494.8 secs Computing kpt #: 345 total cpu time spent up to now is 496.0 secs Computing kpt #: 346 total cpu time spent up to now is 497.2 secs Computing kpt #: 347 total cpu time spent up to now is 498.4 secs Computing kpt #: 348 total cpu time spent up to now is 499.5 secs Computing kpt #: 349 total cpu time spent up to now is 500.7 secs Computing kpt #: 350 total cpu time spent up to now is 501.9 secs Computing kpt #: 351 total cpu time spent up to now is 503.1 secs Computing kpt #: 352 total cpu time spent up to now is 504.3 secs Computing kpt #: 353 total cpu time spent up to now is 505.5 secs Computing kpt #: 354 total cpu time spent up to now is 506.7 secs Computing kpt #: 355 total cpu time spent up to now is 507.8 secs ethr = 2.38E-08, avg # of iterations = 38.5 total cpu time spent up to now is 507.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6203 0.6203 1.9560 1.9560 5.9110 5.9110 8.2748 8.2748 8.9588 8.9588 9.0697 9.0697 9.1226 9.1226 9.4730 9.4730 9.5797 9.5797 10.1791 10.1791 10.2235 10.2235 10.7419 10.7419 10.8704 10.8704 11.8696 11.8696 11.9424 11.9424 12.5301 12.5301 13.0650 13.0650 k = 0.0000 0.0000 0.0242 ( 4063 PWs) bands (ev): -52.9827 -52.9827 -52.8535 -52.8535 -27.4438 -27.4438 -27.2371 -27.2371 -26.6817 -26.6817 -26.5465 -26.5465 -26.4296 -26.4296 -26.2208 -26.2208 0.6218 0.6218 1.9570 1.9570 5.9124 5.9124 8.2755 8.2755 8.9561 8.9561 9.0691 9.0691 9.1216 9.1216 9.4763 9.4763 9.5802 9.5802 10.1651 10.1651 10.2231 10.2231 10.7458 10.7458 10.8745 10.8745 11.8665 11.8665 11.9397 11.9397 12.5345 12.5345 13.0637 13.0637 k = 0.0000 0.0000 0.0484 ( 4065 PWs) bands (ev): -52.9826 -52.9826 -52.8536 -52.8536 -27.4436 -27.4436 -27.2372 -27.2372 -26.6813 -26.6813 -26.5464 -26.5464 -26.4298 -26.4298 -26.2213 -26.2213 0.6262 0.6262 1.9600 1.9600 5.9167 5.9167 8.2775 8.2775 8.9482 8.9482 9.0662 9.0662 9.1195 9.1195 9.4859 9.4859 9.5817 9.5817 10.1264 10.1264 10.2219 10.2219 10.7478 10.7478 10.8932 10.8932 11.8548 11.8548 11.9340 11.9340 12.5475 12.5475 13.0597 13.0597 k = 0.0000 0.0000 0.0727 ( 4065 PWs) bands (ev): -52.9824 -52.9824 -52.8538 -52.8538 -27.4431 -27.4431 -27.2375 -27.2375 -26.6807 -26.6807 -26.5464 -26.5464 -26.4301 -26.4301 -26.2221 -26.2221 0.6336 0.6336 1.9650 1.9650 5.9238 5.9238 8.2808 8.2808 8.9363 8.9363 9.0587 9.0587 9.1183 9.1183 9.5010 9.5010 9.5840 9.5840 10.0701 10.0701 10.2198 10.2198 10.7339 10.7339 10.9345 10.9345 11.8300 11.8300 11.9304 11.9304 12.5684 12.5684 13.0528 13.0528 k = 0.0000 0.0000 0.0969 ( 4073 PWs) bands (ev): -52.9821 -52.9821 -52.8541 -52.8541 -27.4425 -27.4425 -27.2378 -27.2378 -26.6798 -26.6798 -26.5464 -26.5464 -26.4306 -26.4306 -26.2232 -26.2232 0.6439 0.6439 1.9719 1.9719 5.9338 5.9338 8.2853 8.2853 8.9215 8.9215 9.0457 9.0457 9.1186 9.1186 9.5204 9.5204 9.5872 9.5872 10.0024 10.0024 10.2169 10.2169 10.7033 10.7033 10.9937 10.9937 11.7904 11.7904 11.9314 11.9314 12.5960 12.5960 13.0431 13.0431 k = 0.0000 0.0000 0.1211 ( 4077 PWs) bands (ev): -52.9817 -52.9817 -52.8545 -52.8545 -27.4418 -27.4418 -27.2382 -27.2382 -26.6786 -26.6786 -26.5464 -26.5464 -26.4312 -26.4312 -26.2247 -26.2247 0.6572 0.6572 1.9807 1.9807 5.9466 5.9466 8.2910 8.2910 8.9047 8.9047 9.0284 9.0284 9.1195 9.1195 9.5432 9.5432 9.5910 9.5910 9.9280 9.9280 10.2130 10.2130 10.6609 10.6609 11.0633 11.0633 11.7376 11.7376 11.9364 11.9364 12.6288 12.6288 13.0310 13.0310 k = 0.0000 0.0000 0.1453 ( 4075 PWs) bands (ev): -52.9812 -52.9812 -52.8550 -52.8550 -27.4408 -27.4408 -27.2387 -27.2387 -26.6772 -26.6772 -26.5463 -26.5463 -26.4319 -26.4319 -26.2264 -26.2264 0.6733 0.6733 1.9914 1.9914 5.9622 5.9622 8.2979 8.2979 8.8865 8.8865 9.0081 9.0081 9.1195 9.1195 9.5685 9.5685 9.5952 9.5952 9.8495 9.8495 10.2078 10.2078 10.6104 10.6104 11.1381 11.1381 11.6741 11.6741 11.9443 11.9443 12.6652 12.6652 13.0174 13.0174 k = 0.0000 0.0000 0.1695 ( 4079 PWs) bands (ev): -52.9806 -52.9806 -52.8556 -52.8556 -27.4397 -27.4397 -27.2393 -27.2393 -26.6756 -26.6756 -26.5462 -26.5462 -26.4328 -26.4328 -26.2283 -26.2283 0.6922 0.6922 2.0039 2.0039 5.9805 5.9805 8.3057 8.3057 8.8673 8.8673 8.9860 8.9860 9.1175 9.1175 9.5954 9.5954 9.5994 9.5994 9.7686 9.7686 10.2013 10.2013 10.5548 10.5548 11.2153 11.2153 11.6023 11.6023 11.9545 11.9545 12.7038 12.7038 13.0031 13.0031 k = 0.0000 0.0000 0.1938 ( 4087 PWs) bands (ev): -52.9799 -52.9799 -52.8562 -52.8562 -27.4385 -27.4385 -27.2399 -27.2399 -26.6738 -26.6738 -26.5460 -26.5460 -26.4338 -26.4338 -26.2305 -26.2305 0.7139 0.7139 2.0182 2.0182 6.0016 6.0016 8.3144 8.3144 8.8473 8.8473 8.9629 8.9629 9.1127 9.1127 9.6028 9.6028 9.6237 9.6237 9.6865 9.6865 10.1928 10.1928 10.4968 10.4968 11.2930 11.2930 11.5241 11.5241 11.9665 11.9665 12.7430 12.7430 12.9887 12.9887 k = 0.0000 0.0000 0.2180 ( 4087 PWs) bands (ev): -52.9792 -52.9792 -52.8569 -52.8569 -27.4371 -27.4371 -27.2407 -27.2407 -26.6718 -26.6718 -26.5458 -26.5458 -26.4351 -26.4351 -26.2329 -26.2329 0.7384 0.7384 2.0342 2.0342 6.0253 6.0253 8.3237 8.3237 8.8267 8.8267 8.9393 8.9393 9.1045 9.1045 9.5995 9.5995 9.6090 9.6090 9.6533 9.6533 10.1817 10.1817 10.4393 10.4393 11.3697 11.3697 11.4418 11.4418 11.9800 11.9800 12.7811 12.7811 12.9747 12.9747 k = 0.0000 0.0000 0.2422 ( 4091 PWs) bands (ev): -52.9784 -52.9784 -52.8577 -52.8577 -27.4356 -27.4356 -27.2416 -27.2416 -26.6695 -26.6695 -26.5455 -26.5455 -26.4365 -26.4365 -26.2355 -26.2355 0.7656 0.7656 2.0518 2.0518 6.0517 6.0517 8.3335 8.3335 8.8056 8.8056 8.9157 8.9157 9.0927 9.0927 9.5201 9.5201 9.6061 9.6061 9.6828 9.6828 10.1669 10.1669 10.3856 10.3856 11.3558 11.3558 11.4456 11.4456 11.9948 11.9948 12.8170 12.8170 12.9613 12.9613 k = 0.0000 0.0000 0.2664 ( 4103 PWs) bands (ev): -52.9775 -52.9775 -52.8586 -52.8586 -27.4340 -27.4340 -27.2426 -27.2426 -26.6672 -26.6672 -26.5451 -26.5451 -26.4381 -26.4381 -26.2382 -26.2382 0.7954 0.7954 2.0710 2.0710 6.0807 6.0807 8.3434 8.3434 8.7838 8.7838 8.8923 8.8923 9.0770 9.0770 9.4376 9.4376 9.6029 9.6029 9.7126 9.7126 10.1473 10.1473 10.3392 10.3392 11.2699 11.2699 11.5175 11.5175 12.0108 12.0108 12.8491 12.8491 12.9486 12.9486 k = 0.0000 0.0000 0.2906 ( 4103 PWs) bands (ev): -52.9765 -52.9765 -52.8595 -52.8595 -27.4323 -27.4323 -27.2437 -27.2437 -26.6647 -26.6647 -26.5446 -26.5446 -26.4399 -26.4399 -26.2411 -26.2411 0.8278 0.8278 2.0916 2.0916 6.1122 6.1122 8.3530 8.3530 8.7613 8.7613 8.8693 8.8693 9.0573 9.0573 9.3557 9.3557 9.5949 9.5949 9.7426 9.7426 10.1229 10.1229 10.3026 10.3026 11.1842 11.1842 11.5856 11.5856 12.0276 12.0276 12.8766 12.8766 12.9365 12.9365 k = 0.0000 0.0000 0.3149 ( 4103 PWs) bands (ev): -52.9755 -52.9755 -52.8606 -52.8606 -27.4305 -27.4305 -27.2449 -27.2449 -26.6620 -26.6620 -26.5439 -26.5439 -26.4419 -26.4419 -26.2440 -26.2440 0.8626 0.8626 2.1135 2.1135 6.1463 6.1463 8.3620 8.3620 8.7376 8.7376 8.8470 8.8470 9.0339 9.0339 9.2746 9.2746 9.5806 9.5806 9.7724 9.7724 10.0965 10.0965 10.2760 10.2760 11.1002 11.1002 11.6489 11.6489 12.0452 12.0452 12.8987 12.8987 12.9250 12.9250 k = 0.0000 0.0000 0.3391 ( 4107 PWs) bands (ev): -52.9744 -52.9744 -52.8617 -52.8617 -27.4286 -27.4286 -27.2462 -27.2462 -26.6594 -26.6594 -26.5430 -26.5430 -26.4442 -26.4442 -26.2469 -26.2469 0.8998 0.8998 2.1366 2.1366 6.1827 6.1827 8.3698 8.3698 8.7123 8.7123 8.8254 8.8254 9.0072 9.0072 9.1945 9.1945 9.5586 9.5586 9.8019 9.8019 10.0722 10.0722 10.2573 10.2573 11.0187 11.0187 11.7062 11.7062 12.0633 12.0633 12.9140 12.9140 12.9153 12.9153 k = 0.0000 0.0000 0.3633 ( 4107 PWs) bands (ev): -52.9732 -52.9732 -52.8628 -52.8628 -27.4267 -27.4267 -27.2477 -27.2477 -26.6567 -26.6567 -26.5419 -26.5419 -26.4467 -26.4467 -26.2499 -26.2499 0.9394 0.9394 2.1609 2.1609 6.2215 6.2215 8.3755 8.3755 8.6849 8.6849 8.8046 8.8046 8.9779 8.9779 9.1158 9.1158 9.5290 9.5290 9.8309 9.8309 10.0540 10.0540 10.2439 10.2439 10.9405 10.9405 11.7565 11.7565 12.0819 12.0819 12.9035 12.9035 12.9265 12.9265 k = 0.0000 0.0000 0.3875 ( 4107 PWs) bands (ev): -52.9719 -52.9719 -52.8640 -52.8640 -27.4247 -27.4247 -27.2492 -27.2492 -26.6539 -26.6539 -26.5406 -26.5406 -26.4495 -26.4495 -26.2528 -26.2528 0.9811 0.9811 2.1861 2.1861 6.2626 6.2626 8.3785 8.3785 8.6545 8.6545 8.7847 8.7847 8.9464 8.9464 9.0392 9.0392 9.4931 9.4931 9.8594 9.8594 10.0435 10.0435 10.2341 10.2341 10.8659 10.8659 11.7988 11.7988 12.1008 12.1008 12.8935 12.8935 12.9330 12.9330 k = 0.0000 0.0000 0.4117 ( 4123 PWs) bands (ev): -52.9706 -52.9706 -52.8653 -52.8653 -27.4227 -27.4227 -27.2509 -27.2509 -26.6513 -26.6513 -26.5390 -26.5390 -26.4525 -26.4525 -26.2556 -26.2556 1.0249 1.0249 2.2121 2.2121 6.3059 6.3059 8.3777 8.3777 8.6203 8.6203 8.7656 8.7656 8.9117 8.9117 8.9671 8.9671 9.4533 9.4533 9.8871 9.8871 10.0406 10.0406 10.2269 10.2269 10.7953 10.7953 11.8321 11.8321 12.1197 12.1197 12.8841 12.8841 12.9357 12.9357 k = 0.0000 0.0000 0.4360 ( 4119 PWs) bands (ev): -52.9693 -52.9693 -52.8666 -52.8666 -27.4207 -27.4207 -27.2527 -27.2527 -26.6488 -26.6488 -26.5370 -26.5370 -26.4557 -26.4557 -26.2584 -26.2584 1.0707 1.0707 2.2388 2.2388 6.3514 6.3514 8.3721 8.3721 8.5816 8.5816 8.7475 8.7475 8.8643 8.8643 8.9105 8.9105 9.4128 9.4128 9.9141 9.9141 10.0442 10.0442 10.2217 10.2217 10.7287 10.7287 11.8555 11.8555 12.1387 12.1387 12.8752 12.8752 12.9354 12.9354 k = 0.0000 0.0000 0.4602 ( 4119 PWs) bands (ev): -52.9679 -52.9679 -52.8680 -52.8680 -27.4186 -27.4186 -27.2546 -27.2546 -26.6464 -26.6464 -26.5347 -26.5347 -26.4592 -26.4592 -26.2610 -26.2610 1.1183 1.1183 2.2659 2.2659 6.3989 6.3989 8.3605 8.3605 8.5380 8.5380 8.7303 8.7303 8.7987 8.7987 8.8759 8.8759 9.3747 9.3747 9.9401 9.9401 10.0529 10.0529 10.2183 10.2183 10.6660 10.6660 11.8685 11.8685 12.1576 12.1576 12.8670 12.8670 12.9328 12.9328 k = 0.0000 0.0000 0.4844 ( 4119 PWs) bands (ev): -52.9664 -52.9664 -52.8694 -52.8694 -27.4166 -27.4166 -27.2567 -27.2567 -26.6441 -26.6441 -26.5321 -26.5321 -26.4629 -26.4629 -26.2635 -26.2635 1.1676 1.1676 2.2934 2.2934 6.4485 6.4485 8.3421 8.3421 8.4896 8.4896 8.7135 8.7135 8.7288 8.7288 8.8509 8.8509 9.3414 9.3414 9.9650 9.9650 10.0652 10.0652 10.2167 10.2167 10.6069 10.6069 11.8708 11.8708 12.1764 12.1764 12.8596 12.8596 12.9288 12.9288 k = 0.0000 0.0000 0.5086 ( 4111 PWs) bands (ev): -52.9649 -52.9649 -52.8709 -52.8709 -27.4146 -27.4146 -27.2589 -27.2589 -26.6422 -26.6422 -26.5290 -26.5290 -26.4668 -26.4668 -26.2657 -26.2657 1.2184 1.2184 2.3210 2.3210 6.4999 6.4999 8.3162 8.3162 8.4369 8.4369 8.6567 8.6567 8.6997 8.6997 8.8308 8.8308 9.3151 9.3151 9.9889 9.9889 10.0796 10.0796 10.2173 10.2173 10.5512 10.5512 11.8625 11.8625 12.1949 12.1949 12.8531 12.8531 12.9236 12.9236 k = 0.0000 0.0000 0.5328 ( 4109 PWs) bands (ev): -52.9633 -52.9633 -52.8724 -52.8724 -27.4126 -27.4126 -27.2612 -27.2612 -26.6404 -26.6404 -26.5257 -26.5257 -26.4709 -26.4709 -26.2678 -26.2678 1.2707 1.2707 2.3485 2.3485 6.5532 6.5532 8.2828 8.2828 8.3809 8.3809 8.5869 8.5869 8.6856 8.6856 8.8143 8.8143 9.2969 9.2969 10.0115 10.0115 10.0951 10.0951 10.2205 10.2205 10.4985 10.4985 11.8440 11.8440 12.2131 12.2131 12.8476 12.8476 12.9177 12.9177 k = 0.0000 0.0000 0.5571 ( 4113 PWs) bands (ev): -52.9617 -52.9617 -52.8739 -52.8739 -27.4107 -27.4107 -27.2636 -27.2636 -26.6390 -26.6390 -26.5220 -26.5220 -26.4750 -26.4750 -26.2697 -26.2697 1.3242 1.3242 2.3759 2.3759 6.6082 6.6082 8.2422 8.2422 8.3227 8.3227 8.5182 8.5182 8.6729 8.6729 8.8009 8.8009 9.2872 9.2872 10.0327 10.0327 10.1103 10.1103 10.2267 10.2267 10.4485 10.4485 11.8161 11.8161 12.2311 12.2311 12.8434 12.8434 12.9113 12.9113 k = 0.0000 0.0000 0.5813 ( 4111 PWs) bands (ev): -52.9601 -52.9601 -52.8755 -52.8755 -27.4088 -27.4088 -27.2662 -27.2662 -26.6378 -26.6378 -26.5182 -26.5182 -26.4790 -26.4790 -26.2713 -26.2713 1.3787 1.3787 2.4028 2.4028 6.6648 6.6648 8.1953 8.1953 8.2634 8.2634 8.4506 8.4506 8.6613 8.6613 8.7900 8.7900 9.2858 9.2858 10.0526 10.0526 10.1241 10.1241 10.2366 10.2366 10.4008 10.4008 11.7797 11.7797 12.2488 12.2488 12.8405 12.8405 12.9044 12.9044 k = 0.0000 0.0000 0.6055 ( 4115 PWs) bands (ev): -52.9585 -52.9585 -52.8771 -52.8771 -27.4069 -27.4069 -27.2688 -27.2688 -26.6369 -26.6369 -26.5145 -26.5145 -26.4826 -26.4826 -26.2727 -26.2727 1.4342 1.4342 2.4290 2.4290 6.7230 6.7230 8.1431 8.1431 8.2041 8.2041 8.3843 8.3843 8.6510 8.6510 8.7812 8.7812 9.2920 9.2920 10.0710 10.0710 10.1360 10.1360 10.2505 10.2505 10.3551 10.3551 11.7358 11.7358 12.2663 12.2663 12.8392 12.8392 12.8970 12.8970 k = 0.0000 0.0000 0.6297 ( 4123 PWs) bands (ev): -52.9568 -52.9568 -52.8787 -52.8787 -27.4052 -27.4052 -27.2716 -27.2716 -26.6364 -26.6364 -26.5116 -26.5116 -26.4852 -26.4852 -26.2739 -26.2739 1.4904 1.4904 2.4545 2.4545 6.7827 6.7827 8.0871 8.0871 8.1460 8.1460 8.3193 8.3193 8.6419 8.6419 8.7742 8.7742 9.3049 9.3049 10.0878 10.0878 10.1460 10.1460 10.2678 10.2678 10.3112 10.3112 11.6857 11.6857 12.2837 12.2837 12.8393 12.8393 12.8891 12.8891 k = 0.0000 0.0000 0.6539 ( 4129 PWs) bands (ev): -52.9551 -52.9551 -52.8803 -52.8803 -27.4036 -27.4036 -27.2745 -27.2745 -26.6361 -26.6361 -26.5104 -26.5104 -26.4858 -26.4858 -26.2749 -26.2749 1.5470 1.5470 2.4789 2.4789 6.8436 6.8436 8.0284 8.0284 8.0897 8.0897 8.2557 8.2557 8.6340 8.6340 8.7686 8.7686 9.3235 9.3235 10.1031 10.1031 10.1543 10.1543 10.2680 10.2680 10.2888 10.2888 11.6304 11.6304 12.3010 12.3010 12.8409 12.8409 12.8808 12.8808 k = 0.0000 0.0000 0.6782 ( 4133 PWs) bands (ev): -52.9534 -52.9534 -52.8820 -52.8820 -27.4020 -27.4020 -27.2775 -27.2775 -26.6360 -26.6360 -26.5116 -26.5116 -26.4837 -26.4837 -26.2756 -26.2756 1.6040 1.6040 2.5022 2.5022 6.9059 6.9059 7.9683 7.9683 8.0361 8.0361 8.1934 8.1934 8.6273 8.6273 8.7641 8.7641 9.3468 9.3468 10.1167 10.1167 10.1617 10.1617 10.2270 10.2270 10.3108 10.3108 11.5709 11.5709 12.3184 12.3184 12.8429 12.8429 12.8727 12.8727 k = 0.0000 0.0000 0.7024 ( 4129 PWs) bands (ev): -52.9517 -52.9517 -52.8836 -52.8836 -27.4005 -27.4005 -27.2807 -27.2807 -26.6362 -26.6362 -26.5147 -26.5147 -26.4795 -26.4795 -26.2761 -26.2761 1.6611 1.6611 2.5241 2.5241 6.9692 6.9692 7.9079 7.9079 7.9857 7.9857 8.1326 8.1326 8.6217 8.6217 8.7607 8.7607 9.3740 9.3740 10.1285 10.1285 10.1686 10.1686 10.1870 10.1870 10.3344 10.3344 11.5082 11.5082 12.3359 12.3359 12.8418 12.8418 12.8681 12.8681 k = 0.0000 0.0000 0.7266 ( 4117 PWs) bands (ev): -52.9500 -52.9500 -52.8853 -52.8853 -27.3992 -27.3992 -27.2838 -27.2838 -26.6366 -26.6366 -26.5188 -26.5188 -26.4740 -26.4740 -26.2763 -26.2763 1.7181 1.7181 2.5444 2.5444 7.0334 7.0334 7.8483 7.8483 7.9389 7.9389 8.0732 8.0732 8.6172 8.6172 8.7580 8.7580 9.4042 9.4042 10.1364 10.1364 10.1502 10.1502 10.1751 10.1751 10.3587 10.3587 11.4431 11.4431 12.3536 12.3536 12.8327 12.8327 12.8551 12.8551 k = 0.0000 0.0000 0.7508 ( 4121 PWs) bands (ev): -52.9482 -52.9482 -52.8869 -52.8869 -27.3979 -27.3979 -27.2871 -27.2871 -26.6373 -26.6373 -26.5235 -26.5235 -26.4678 -26.4678 -26.2764 -26.2764 1.7748 1.7748 2.5631 2.5631 7.0983 7.0983 7.7902 7.7902 7.8962 7.8962 8.0154 8.0154 8.6138 8.6138 8.7560 8.7560 9.4368 9.4368 10.1075 10.1075 10.1496 10.1496 10.1816 10.1816 10.3834 10.3834 11.3764 11.3764 12.3716 12.3716 12.8175 12.8175 12.8197 12.8197 k = 0.0000 0.0000 0.7750 ( 4121 PWs) bands (ev): -52.9465 -52.9465 -52.8886 -52.8886 -27.3968 -27.3968 -27.2904 -27.2904 -26.6381 -26.6381 -26.5284 -26.5284 -26.4612 -26.4612 -26.2762 -26.2762 1.8309 1.8309 2.5801 2.5801 7.1636 7.1636 7.7345 7.7345 7.8581 7.8581 7.9590 7.9590 8.6114 8.6114 8.7544 8.7544 9.4712 9.4712 10.0700 10.0700 10.1568 10.1568 10.1879 10.1879 10.4081 10.4081 11.3087 11.3087 12.3900 12.3900 12.7832 12.7832 12.7982 12.7982 k = 0.0000 0.0000 0.7993 ( 4125 PWs) bands (ev): -52.9448 -52.9448 -52.8902 -52.8902 -27.3958 -27.3958 -27.2938 -27.2938 -26.6390 -26.6390 -26.5334 -26.5334 -26.4543 -26.4543 -26.2759 -26.2759 1.8863 1.8863 2.5951 2.5951 7.2287 7.2287 7.6822 7.6822 7.8247 7.8247 7.9043 7.9043 8.6100 8.6100 8.7532 8.7532 9.5068 9.5068 10.0328 10.0328 10.1630 10.1630 10.1940 10.1940 10.4328 10.4328 11.2406 11.2406 12.4087 12.4087 12.7467 12.7467 12.7755 12.7755 k = 0.0000 0.0000 0.8235 ( 4123 PWs) bands (ev): -52.9431 -52.9431 -52.8919 -52.8919 -27.3950 -27.3950 -27.2972 -27.2972 -26.6402 -26.6402 -26.5384 -26.5384 -26.4472 -26.4472 -26.2753 -26.2753 1.9408 1.9408 2.6082 2.6082 7.2924 7.2924 7.6347 7.6347 7.7963 7.7963 7.8511 7.8511 8.6095 8.6095 8.7521 8.7521 9.5430 9.5430 9.9962 9.9962 10.1680 10.1680 10.1998 10.1998 10.4572 10.4572 11.1726 11.1726 12.4279 12.4279 12.7108 12.7108 12.7496 12.7496 k = 0.0000 0.0000 0.8477 ( 4117 PWs) bands (ev): -52.9414 -52.9414 -52.8935 -52.8935 -27.3943 -27.3943 -27.3007 -27.3007 -26.6414 -26.6414 -26.5433 -26.5433 -26.4400 -26.4400 -26.2746 -26.2746 1.9941 1.9941 2.6193 2.6193 7.3517 7.3517 7.5952 7.5952 7.7731 7.7731 7.7996 7.7996 8.6099 8.6099 8.7512 8.7512 9.5794 9.5794 9.9600 9.9600 10.1718 10.1718 10.2052 10.2052 10.4816 10.4816 11.1051 11.1051 12.4476 12.4476 12.6754 12.6754 12.7210 12.7210 k = 0.0000 0.0000 0.8719 ( 4119 PWs) bands (ev): -52.9398 -52.9398 -52.8951 -52.8951 -27.3937 -27.3937 -27.3041 -27.3041 -26.6427 -26.6427 -26.5482 -26.5482 -26.4328 -26.4328 -26.2736 -26.2736 2.0461 2.0461 2.6285 2.6285 7.3982 7.3982 7.5722 7.5722 7.7489 7.7489 7.7559 7.7559 8.6110 8.6110 8.7501 8.7501 9.6155 9.6155 9.9244 9.9244 10.1744 10.1744 10.2100 10.2100 10.5058 10.5058 11.0385 11.0385 12.4676 12.4676 12.6407 12.6407 12.6901 12.6901 k = 0.0000 0.0000 0.8961 ( 4123 PWs) bands (ev): -52.9381 -52.9381 -52.8966 -52.8966 -27.3933 -27.3933 -27.3075 -27.3075 -26.6442 -26.6442 -26.5529 -26.5529 -26.4257 -26.4257 -26.2725 -26.2725 2.0965 2.0965 2.6356 2.6356 7.4150 7.4150 7.5827 7.5827 7.7011 7.7011 7.7430 7.7430 8.6129 8.6129 8.7488 8.7488 9.6509 9.6509 9.8893 9.8893 10.1759 10.1759 10.2142 10.2142 10.5302 10.5302 10.9732 10.9732 12.4879 12.4879 12.6069 12.6069 12.6577 12.6577 k = 0.0000 0.0000 0.9204 ( 4131 PWs) bands (ev): -52.9365 -52.9365 -52.8982 -52.8982 -27.3931 -27.3931 -27.3108 -27.3108 -26.6457 -26.6457 -26.5574 -26.5574 -26.4187 -26.4187 -26.2712 -26.2712 2.1452 2.1452 2.6407 2.6407 7.4020 7.4020 7.6264 7.6264 7.6545 7.6545 7.7361 7.7361 8.6154 8.6154 8.7473 8.7473 9.6851 9.6851 9.8547 9.8547 10.1765 10.1765 10.2174 10.2174 10.5548 10.5548 10.9093 10.9093 12.5084 12.5084 12.5741 12.5741 12.6245 12.6245 k = 0.0000 0.0000 0.9446 ( 4131 PWs) bands (ev): -52.9350 -52.9350 -52.8997 -52.8997 -27.3930 -27.3930 -27.3141 -27.3141 -26.6472 -26.6472 -26.5618 -26.5618 -26.4119 -26.4119 -26.2698 -26.2698 2.1920 2.1920 2.6441 2.6441 7.3777 7.3777 7.6096 7.6096 7.6836 7.6836 7.7362 7.7362 8.6185 8.6185 8.7453 8.7453 9.7175 9.7175 9.8208 9.8208 10.1761 10.1761 10.2198 10.2198 10.5797 10.5797 10.8473 10.8473 12.5278 12.5278 12.5436 12.5436 12.5912 12.5912 k = 0.0000 0.0000 0.9688 ( 4131 PWs) bands (ev): -52.9335 -52.9335 -52.9011 -52.9011 -27.3930 -27.3930 -27.3173 -27.3173 -26.6488 -26.6488 -26.5660 -26.5660 -26.4052 -26.4052 -26.2682 -26.2682 2.2368 2.2368 2.6456 2.6456 7.3517 7.3517 7.5664 7.5664 7.7263 7.7263 7.7609 7.7609 8.6220 8.6220 8.7428 8.7428 9.7477 9.7477 9.7876 9.7876 10.1750 10.1750 10.2212 10.2212 10.6052 10.6052 10.7872 10.7872 12.5102 12.5102 12.5501 12.5501 12.5594 12.5594 k = 0.0000 0.0000 0.9930 ( 4125 PWs) bands (ev): -52.9320 -52.9320 -52.9025 -52.9025 -27.3933 -27.3933 -27.3203 -27.3203 -26.6505 -26.6505 -26.5699 -26.5699 -26.3988 -26.3988 -26.2664 -26.2664 2.2795 2.2795 2.6455 2.6455 7.3271 7.3271 7.5251 7.5251 7.7391 7.7391 7.8222 7.8222 8.6261 8.6261 8.7397 8.7397 9.7536 9.7536 9.7768 9.7768 10.1732 10.1732 10.2218 10.2218 10.6313 10.6313 10.7293 10.7293 12.4807 12.4807 12.5259 12.5259 12.5722 12.5722 k = 0.0000 0.0000 1.0172 ( 4133 PWs) bands (ev): -52.9306 -52.9306 -52.9039 -52.9039 -27.3937 -27.3937 -27.3232 -27.3232 -26.6521 -26.6521 -26.5737 -26.5737 -26.3927 -26.3927 -26.2645 -26.2645 2.3198 2.3198 2.6439 2.6439 7.3051 7.3051 7.4855 7.4855 7.7521 7.7521 7.8884 7.8884 8.6304 8.6304 8.7359 8.7359 9.7220 9.7220 9.8012 9.8012 10.1710 10.1710 10.2220 10.2220 10.6576 10.6576 10.6740 10.6740 12.4522 12.4522 12.4955 12.4955 12.5927 12.5927 k = 0.0000 0.0000 1.0415 ( 4140 PWs) bands (ev): -52.9292 -52.9292 -52.9052 -52.9052 -27.3942 -27.3942 -27.3260 -27.3260 -26.6538 -26.6538 -26.5772 -26.5772 -26.3869 -26.3869 -26.2625 -26.2625 2.3579 2.3579 2.6410 2.6410 7.2861 7.2861 7.4478 7.4478 7.7687 7.7687 7.9547 7.9547 8.6351 8.6351 8.7312 8.7312 9.6906 9.6906 9.8227 9.8227 10.1683 10.1683 10.2221 10.2221 10.6203 10.6203 10.6854 10.6854 12.4248 12.4248 12.4667 12.4667 12.6129 12.6129 k = 0.0000 0.0000 1.0657 ( 4138 PWs) bands (ev): -52.9279 -52.9279 -52.9065 -52.9065 -27.3949 -27.3949 -27.3285 -27.3285 -26.6554 -26.6554 -26.5805 -26.5805 -26.3814 -26.3814 -26.2603 -26.2603 2.3935 2.3935 2.6369 2.6369 7.2703 7.2703 7.4120 7.4120 7.7891 7.7891 8.0202 8.0202 8.6399 8.6399 8.7256 8.7256 9.6600 9.6600 9.8406 9.8406 10.1654 10.1654 10.2227 10.2227 10.5698 10.5698 10.7128 10.7128 12.3988 12.3988 12.4398 12.4398 12.6326 12.6326 k = 0.0000 0.0000 1.0899 ( 4138 PWs) bands (ev): -52.9266 -52.9266 -52.9077 -52.9077 -27.3957 -27.3957 -27.3309 -27.3309 -26.6570 -26.6570 -26.5836 -26.5836 -26.3763 -26.3763 -26.2581 -26.2581 2.4267 2.4267 2.6318 2.6318 7.2577 7.2577 7.3781 7.3781 7.8131 7.8131 8.0842 8.0842 8.6449 8.6449 8.7190 8.7190 9.6302 9.6302 9.8547 9.8547 10.1622 10.1622 10.2243 10.2243 10.5220 10.5220 10.7403 10.7403 12.3741 12.3741 12.4147 12.4147 12.6515 12.6515 k = 0.0000 0.0000 1.1141 ( 4132 PWs) bands (ev): -52.9254 -52.9254 -52.9088 -52.9088 -27.3967 -27.3967 -27.3331 -27.3331 -26.6586 -26.6586 -26.5864 -26.5864 -26.3715 -26.3715 -26.2558 -26.2558 2.4574 2.4574 2.6259 2.6259 7.2480 7.2480 7.3462 7.3462 7.8403 7.8403 8.1462 8.1462 8.6499 8.6499 8.7113 8.7113 9.6014 9.6014 9.8649 9.8649 10.1590 10.1590 10.2272 10.2272 10.4770 10.4770 10.7675 10.7675 12.3508 12.3508 12.3916 12.3916 12.6695 12.6695 k = 0.0000 0.0000 1.1383 ( 4136 PWs) bands (ev): -52.9243 -52.9243 -52.9099 -52.9099 -27.3978 -27.3978 -27.3351 -27.3351 -26.6601 -26.6601 -26.5890 -26.5890 -26.3671 -26.3671 -26.2534 -26.2534 2.4857 2.4857 2.6195 2.6195 7.2411 7.2411 7.3163 7.3163 7.8704 7.8704 8.2057 8.2057 8.6549 8.6549 8.7023 8.7023 9.5736 9.5736 9.8716 9.8716 10.1557 10.1557 10.2318 10.2318 10.4348 10.4348 10.7941 10.7941 12.3289 12.3289 12.3704 12.3704 12.6865 12.6865 k = 0.0000 0.0000 1.1626 ( 4128 PWs) bands (ev): -52.9232 -52.9232 -52.9109 -52.9109 -27.3989 -27.3989 -27.3369 -27.3369 -26.6615 -26.6615 -26.5914 -26.5914 -26.3631 -26.3631 -26.2511 -26.2511 2.5115 2.5115 2.6127 2.6127 7.2366 7.2366 7.2885 7.2885 7.9030 7.9030 8.2620 8.2620 8.6597 8.6597 8.6922 8.6922 9.5470 9.5470 9.8752 9.8752 10.1525 10.1525 10.2381 10.2381 10.3955 10.3955 10.8195 10.8195 12.3085 12.3085 12.3510 12.3510 12.7021 12.7021 k = 0.0000 0.0000 1.1868 ( 4134 PWs) bands (ev): -52.9223 -52.9223 -52.9118 -52.9118 -27.4001 -27.4001 -27.3384 -27.3384 -26.6629 -26.6629 -26.5936 -26.5936 -26.3594 -26.3594 -26.2487 -26.2487 2.5349 2.5349 2.6056 2.6056 7.2342 7.2342 7.2630 7.2630 7.9377 7.9377 8.3146 8.3146 8.6640 8.6640 8.6811 8.6811 9.5217 9.5217 9.8765 9.8765 10.1494 10.1494 10.2459 10.2459 10.3592 10.3592 10.8435 10.8435 12.2897 12.2897 12.3334 12.3334 12.7164 12.7164 k = 0.0000 0.0000 1.2110 ( 4130 PWs) bands (ev): -52.9213 -52.9213 -52.9127 -52.9127 -27.4013 -27.4013 -27.3398 -27.3398 -26.6642 -26.6642 -26.5956 -26.5956 -26.3562 -26.3562 -26.2464 -26.2464 2.5559 2.5559 2.5985 2.5985 7.2316 7.2316 7.2419 7.2419 7.9741 7.9741 8.3631 8.3631 8.6637 8.6637 8.6731 8.6731 9.4979 9.4979 9.8762 9.8762 10.1465 10.1465 10.2548 10.2548 10.3260 10.3260 10.8657 10.8657 12.2723 12.2723 12.3176 12.3176 12.7291 12.7291 k = 0.0000 0.0000 1.2352 ( 4124 PWs) bands (ev): -52.9205 -52.9205 -52.9135 -52.9135 -27.4025 -27.4025 -27.3411 -27.3411 -26.6654 -26.6654 -26.5974 -26.5974 -26.3533 -26.3533 -26.2442 -26.2442 2.5747 2.5747 2.5916 2.5916 7.2157 7.2157 7.2376 7.2376 8.0117 8.0117 8.4069 8.4069 8.6515 8.6515 8.6754 8.6754 9.4757 9.4757 9.8752 9.8752 10.1438 10.1438 10.2646 10.2646 10.2959 10.2959 10.8857 10.8857 12.2566 12.2566 12.3034 12.3034 12.7403 12.7403 k = 0.0000 0.0000 1.2594 ( 4128 PWs) bands (ev): -52.9198 -52.9198 -52.9142 -52.9142 -27.4037 -27.4037 -27.3421 -27.3421 -26.6665 -26.6665 -26.5990 -26.5990 -26.3507 -26.3507 -26.2421 -26.2421 2.5849 2.5849 2.5912 2.5912 7.1969 7.1969 7.2397 7.2397 8.0502 8.0502 8.4454 8.4454 8.6363 8.6363 8.6793 8.6793 9.4553 9.4553 9.8740 9.8740 10.1413 10.1413 10.2688 10.2688 10.2748 10.2748 10.9034 10.9034 12.2424 12.2424 12.2908 12.2908 12.7499 12.7499 k = 0.0000 0.0000 1.2837 ( 4128 PWs) bands (ev): -52.9191 -52.9191 -52.9148 -52.9148 -27.4048 -27.4048 -27.3430 -27.3430 -26.6674 -26.6674 -26.6003 -26.6003 -26.3485 -26.3485 -26.2402 -26.2402 2.5787 2.5787 2.6056 2.6056 7.1799 7.1799 7.2430 7.2430 8.0889 8.0889 8.4781 8.4781 8.6201 8.6201 8.6831 8.6831 9.4368 9.4368 9.8732 9.8732 10.1391 10.1391 10.2449 10.2449 10.2849 10.2849 10.9185 10.9185 12.2299 12.2299 12.2797 12.2797 12.7579 12.7579 k = 0.0000 0.0000 1.3079 ( 4134 PWs) bands (ev): -52.9185 -52.9185 -52.9154 -52.9154 -27.4058 -27.4058 -27.3438 -27.3438 -26.6683 -26.6683 -26.6015 -26.6015 -26.3466 -26.3466 -26.2385 -26.2385 2.5730 2.5730 2.6178 2.6178 7.1650 7.1650 7.2469 7.2469 8.1274 8.1274 8.5037 8.5037 8.6042 8.6042 8.6867 8.6867 9.4204 9.4204 9.8728 9.8728 10.1371 10.1371 10.2241 10.2241 10.2946 10.2946 10.9311 10.9311 12.2189 12.2189 12.2703 12.2703 12.7645 12.7645 k = 0.0000 0.0000 1.3321 ( 4136 PWs) bands (ev): -52.9180 -52.9180 -52.9158 -52.9158 -27.4067 -27.4067 -27.3444 -27.3444 -26.6690 -26.6690 -26.6025 -26.6025 -26.3450 -26.3450 -26.2370 -26.2370 2.5680 2.5680 2.6281 2.6281 7.1523 7.1523 7.2509 7.2509 8.1649 8.1649 8.5195 8.5195 8.5919 8.5919 8.6899 8.6899 9.4062 9.4062 9.8731 9.8731 10.1355 10.1355 10.2065 10.2065 10.3036 10.3036 10.9412 10.9412 12.2097 12.2097 12.2624 12.2624 12.7698 12.7698 k = 0.0000 0.0000 1.3563 ( 4144 PWs) bands (ev): -52.9176 -52.9176 -52.9162 -52.9162 -27.4074 -27.4074 -27.3449 -27.3449 -26.6696 -26.6696 -26.6033 -26.6033 -26.3438 -26.3438 -26.2357 -26.2357 2.5638 2.5638 2.6364 2.6364 7.1419 7.1419 7.2548 7.2548 8.2007 8.2007 8.5210 8.5210 8.5881 8.5881 8.6927 8.6927 9.3945 9.3945 9.8739 9.8739 10.1341 10.1341 10.1921 10.1921 10.3116 10.3116 10.9489 10.9489 12.2021 12.2021 12.2559 12.2559 12.7739 12.7739 k = 0.0000 0.0000 1.3806 ( 4144 PWs) bands (ev): -52.9173 -52.9173 -52.9165 -52.9165 -27.4081 -27.4081 -27.3453 -27.3453 -26.6701 -26.6701 -26.6040 -26.6040 -26.3428 -26.3428 -26.2347 -26.2347 2.5605 2.5605 2.6428 2.6428 7.1338 7.1338 7.2581 7.2581 8.2334 8.2334 8.5101 8.5101 8.5922 8.5922 8.6950 8.6950 9.3852 9.3852 9.8749 9.8749 10.1331 10.1331 10.1809 10.1809 10.3182 10.3182 10.9546 10.9546 12.1961 12.1961 12.2510 12.2510 12.7769 12.7769 k = 0.0000 0.0000 1.4048 ( 4136 PWs) bands (ev): -52.9171 -52.9171 -52.9167 -52.9167 -27.4085 -27.4085 -27.3456 -27.3456 -26.6704 -26.6704 -26.6044 -26.6044 -26.3421 -26.3421 -26.2339 -26.2339 2.5580 2.5580 2.6473 2.6473 7.1280 7.1280 7.2606 7.2606 8.2611 8.2611 8.4950 8.4950 8.5981 8.5981 8.6967 8.6967 9.3785 9.3785 9.8759 9.8759 10.1323 10.1323 10.1729 10.1729 10.3231 10.3231 10.9584 10.9584 12.1919 12.1919 12.2475 12.2475 12.7790 12.7790 k = 0.0000 0.0000 1.4290 ( 4140 PWs) bands (ev): -52.9170 -52.9170 -52.9169 -52.9169 -27.4088 -27.4088 -27.3457 -27.3457 -26.6706 -26.6706 -26.6047 -26.6047 -26.3417 -26.3417 -26.2335 -26.2335 2.5565 2.5565 2.6500 2.6500 7.1245 7.1245 7.2622 7.2622 8.2806 8.2806 8.4824 8.4824 8.6023 8.6023 8.6978 8.6978 9.3744 9.3744 9.8766 9.8766 10.1318 10.1318 10.1680 10.1680 10.3261 10.3261 10.9606 10.9606 12.1893 12.1893 12.2454 12.2454 12.7802 12.7802 k = 0.0000 0.0000 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5560 2.5560 2.6509 2.6509 7.1233 7.1233 7.2628 7.2628 8.2878 8.2878 8.4773 8.4773 8.6038 8.6038 8.6981 8.6981 9.3731 9.3731 9.8769 9.8769 10.1317 10.1317 10.1664 10.1664 10.3271 10.3271 10.9613 10.9613 12.1885 12.1885 12.2447 12.2447 12.7806 12.7806 k = 0.0000 0.0000 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5560 2.5560 2.6509 2.6509 7.1233 7.1233 7.2628 7.2628 8.2878 8.2878 8.4773 8.4773 8.6038 8.6038 8.6981 8.6981 9.3731 9.3731 9.8769 9.8769 10.1317 10.1317 10.1664 10.1664 10.3271 10.3271 10.9613 10.9613 12.1885 12.1885 12.2447 12.2447 12.7806 12.7806 k =-0.0084 0.0229 1.4532 ( 4134 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4088 -27.4088 -27.3457 -27.3457 -26.6706 -26.6706 -26.6047 -26.6047 -26.3417 -26.3417 -26.2335 -26.2335 2.5560 2.5560 2.6506 2.6506 7.1197 7.1197 7.2639 7.2639 8.2864 8.2864 8.4777 8.4777 8.6063 8.6063 8.6955 8.6955 9.3761 9.3761 9.8771 9.8771 10.1326 10.1326 10.1657 10.1657 10.3286 10.3286 10.9579 10.9579 12.1910 12.1910 12.2455 12.2455 12.7801 12.7801 k =-0.0168 0.0458 1.4532 ( 4146 PWs) bands (ev): -52.9171 -52.9171 -52.9167 -52.9167 -27.4085 -27.4085 -27.3456 -27.3456 -26.6704 -26.6704 -26.6044 -26.6044 -26.3421 -26.3421 -26.2339 -26.2339 2.5561 2.5561 2.6498 2.6498 7.1091 7.1091 7.2674 7.2674 8.2819 8.2819 8.4787 8.4787 8.6136 8.6136 8.6880 8.6880 9.3850 9.3850 9.8780 9.8780 10.1355 10.1355 10.1637 10.1637 10.3329 10.3329 10.9480 10.9480 12.1983 12.1983 12.2479 12.2479 12.7785 12.7785 k =-0.0252 0.0687 1.4532 ( 4150 PWs) bands (ev): -52.9173 -52.9173 -52.9165 -52.9165 -27.4080 -27.4080 -27.3453 -27.3453 -26.6701 -26.6701 -26.6040 -26.6040 -26.3428 -26.3428 -26.2346 -26.2346 2.5561 2.5561 2.6485 2.6485 7.0921 7.0921 7.2733 7.2733 8.2742 8.2742 8.4801 8.4801 8.6246 8.6246 8.6773 8.6773 9.3993 9.3993 9.8794 9.8794 10.1405 10.1405 10.1603 10.1603 10.3401 10.3401 10.9317 10.9317 12.2101 12.2101 12.2520 12.2520 12.7759 12.7759 k =-0.0336 0.0916 1.4532 ( 4138 PWs) bands (ev): -52.9176 -52.9176 -52.9162 -52.9162 -27.4074 -27.4074 -27.3449 -27.3449 -26.6696 -26.6696 -26.6033 -26.6033 -26.3439 -26.3439 -26.2356 -26.2356 2.5561 2.5561 2.6464 2.6464 7.0695 7.0695 7.2814 7.2814 8.2626 8.2626 8.4816 8.4816 8.6345 8.6345 8.6687 8.6687 9.4182 9.4182 9.8813 9.8813 10.1476 10.1476 10.1558 10.1558 10.3503 10.3503 10.9095 10.9095 12.2256 12.2256 12.2578 12.2578 12.7721 12.7721 k =-0.0336 0.0916 1.4532 ( 4138 PWs) bands (ev): -52.9176 -52.9176 -52.9162 -52.9162 -27.4074 -27.4074 -27.3449 -27.3449 -26.6696 -26.6696 -26.6033 -26.6033 -26.3439 -26.3439 -26.2356 -26.2356 2.5561 2.5561 2.6464 2.6464 7.0695 7.0695 7.2814 7.2814 8.2626 8.2626 8.4816 8.4816 8.6345 8.6345 8.6687 8.6687 9.4182 9.4182 9.8813 9.8813 10.1476 10.1476 10.1558 10.1558 10.3503 10.3503 10.9095 10.9095 12.2256 12.2256 12.2578 12.2578 12.7721 12.7721 k =-0.0394 0.1075 1.4363 ( 4140 PWs) bands (ev): -52.9179 -52.9179 -52.9160 -52.9160 -27.4068 -27.4068 -27.3446 -27.3446 -26.6691 -26.6691 -26.6028 -26.6028 -26.3448 -26.3448 -26.2366 -26.2366 2.5562 2.5562 2.6442 2.6442 7.0514 7.0514 7.2882 7.2882 8.2483 8.2483 8.4853 8.4853 8.6338 8.6338 8.6707 8.6707 9.4341 9.4341 9.8826 9.8826 10.1530 10.1530 10.1542 10.1542 10.3586 10.3586 10.8909 10.8909 12.2382 12.2382 12.2635 12.2635 12.7684 12.7684 k =-0.0452 0.1234 1.4193 ( 4136 PWs) bands (ev): -52.9181 -52.9181 -52.9157 -52.9157 -27.4060 -27.4060 -27.3441 -27.3441 -26.6685 -26.6685 -26.6020 -26.6020 -26.3460 -26.3460 -26.2378 -26.2378 2.5569 2.5569 2.6408 2.6408 7.0318 7.0318 7.2959 7.2959 8.2251 8.2251 8.4938 8.4938 8.6265 8.6265 8.6790 8.6790 9.4526 9.4526 9.8830 9.8830 10.1522 10.1522 10.1622 10.1622 10.3671 10.3671 10.8698 10.8698 12.2505 12.2505 12.2725 12.2725 12.7637 12.7637 k =-0.0511 0.1393 1.4024 ( 4134 PWs) bands (ev): -52.9184 -52.9184 -52.9155 -52.9155 -27.4051 -27.4051 -27.3436 -27.3436 -26.6678 -26.6678 -26.6011 -26.6011 -26.3476 -26.3476 -26.2392 -26.2392 2.5579 2.5579 2.6363 2.6363 7.0107 7.0107 7.3047 7.3047 8.1939 8.1939 8.5061 8.5061 8.6171 8.6171 8.6896 8.6896 9.4733 9.4733 9.8820 9.8820 10.1538 10.1538 10.1718 10.1718 10.3758 10.3758 10.8469 10.8469 12.2608 12.2608 12.2857 12.2857 12.7579 12.7579 k =-0.0569 0.1553 1.3854 ( 4135 PWs) bands (ev): -52.9187 -52.9187 -52.9153 -52.9153 -27.4040 -27.4040 -27.3430 -27.3430 -26.6670 -26.6670 -26.5999 -26.5999 -26.3493 -26.3493 -26.2410 -26.2410 2.5594 2.5594 2.6306 2.6306 6.9882 6.9882 7.3144 7.3144 8.1561 8.1561 8.5209 8.5209 8.6079 8.6079 8.7007 8.7007 9.4957 9.4957 9.8792 9.8792 10.1583 10.1583 10.1831 10.1831 10.3844 10.3844 10.8228 10.8228 12.2694 12.2694 12.3024 12.3024 12.7510 12.7510 k =-0.0627 0.1712 1.3685 ( 4127 PWs) bands (ev): -52.9189 -52.9189 -52.9150 -52.9150 -27.4028 -27.4028 -27.3422 -27.3422 -26.6660 -26.6660 -26.5987 -26.5987 -26.3514 -26.3514 -26.2430 -26.2430 2.5613 2.5613 2.6239 2.6239 6.9642 6.9642 7.3254 7.3254 8.1127 8.1127 8.5376 8.5376 8.5996 8.5996 8.7117 8.7117 9.5194 9.5194 9.8742 9.8742 10.1663 10.1663 10.1964 10.1964 10.3925 10.3925 10.7983 10.7983 12.2774 12.2774 12.3205 12.3205 12.7428 12.7428 k =-0.0686 0.1871 1.3515 ( 4125 PWs) bands (ev): -52.9192 -52.9192 -52.9148 -52.9148 -27.4014 -27.4014 -27.3414 -27.3414 -26.6648 -26.6648 -26.5972 -26.5972 -26.3537 -26.3537 -26.2453 -26.2453 2.5636 2.5636 2.6161 2.6161 6.9388 6.9388 7.3375 7.3375 8.0646 8.0646 8.5553 8.5553 8.5927 8.5927 8.7226 8.7226 9.5443 9.5443 9.8668 9.8668 10.1780 10.1780 10.2116 10.2116 10.3996 10.3996 10.7744 10.7744 12.2853 12.2853 12.3390 12.3390 12.7334 12.7334 k =-0.0744 0.2030 1.3346 ( 4125 PWs) bands (ev): -52.9194 -52.9194 -52.9146 -52.9146 -27.3999 -27.3999 -27.3405 -27.3405 -26.6636 -26.6636 -26.5956 -26.5956 -26.3562 -26.3562 -26.2478 -26.2478 2.5662 2.5662 2.6074 2.6074 6.9119 6.9119 7.3508 7.3508 8.0126 8.0126 8.5735 8.5735 8.5875 8.5875 8.7331 8.7331 9.5701 9.5701 9.8573 9.8573 10.1935 10.1935 10.2289 10.2289 10.4050 10.4050 10.7520 10.7520 12.2932 12.2932 12.3570 12.3570 12.7224 12.7224 k =-0.0802 0.2189 1.3176 ( 4122 PWs) bands (ev): -52.9197 -52.9197 -52.9144 -52.9144 -27.3982 -27.3982 -27.3396 -27.3396 -26.6622 -26.6622 -26.5938 -26.5938 -26.3590 -26.3590 -26.2506 -26.2506 2.5692 2.5692 2.5977 2.5977 6.8836 6.8836 7.3653 7.3653 7.9573 7.9573 8.5816 8.5816 8.5945 8.5945 8.7434 8.7434 9.5965 9.5965 9.8457 9.8457 10.2124 10.2124 10.2484 10.2484 10.4078 10.4078 10.7325 10.7325 12.3010 12.3010 12.3739 12.3739 12.7098 12.7098 k =-0.0860 0.2348 1.3007 ( 4122 PWs) bands (ev): -52.9199 -52.9199 -52.9142 -52.9142 -27.3964 -27.3964 -27.3385 -27.3385 -26.6606 -26.6606 -26.5918 -26.5918 -26.3621 -26.3621 -26.2536 -26.2536 2.5725 2.5725 2.5872 2.5872 6.8540 6.8540 7.3811 7.3811 7.8993 7.8993 8.5795 8.5795 8.6134 8.6134 8.7533 8.7533 9.6234 9.6234 9.8326 9.8326 10.2347 10.2347 10.2702 10.2702 10.4070 10.4070 10.7170 10.7170 12.3085 12.3085 12.3891 12.3891 12.6953 12.6953 k =-0.0919 0.2507 1.2838 ( 4121 PWs) bands (ev): -52.9202 -52.9202 -52.9140 -52.9140 -27.3945 -27.3945 -27.3374 -27.3374 -26.6589 -26.6589 -26.5896 -26.5896 -26.3653 -26.3653 -26.2569 -26.2569 2.5753 2.5753 2.5766 2.5766 6.8231 6.8231 7.3981 7.3981 7.8392 7.8392 8.5784 8.5784 8.6330 8.6330 8.7631 8.7631 9.6506 9.6506 9.8182 9.8182 10.2599 10.2599 10.2941 10.2941 10.4018 10.4018 10.7069 10.7069 12.3153 12.3153 12.4022 12.4022 12.6786 12.6786 k =-0.0977 0.2666 1.2668 ( 4121 PWs) bands (ev): -52.9204 -52.9204 -52.9138 -52.9138 -27.3925 -27.3925 -27.3363 -27.3363 -26.6571 -26.6571 -26.5873 -26.5873 -26.3689 -26.3689 -26.2605 -26.2605 2.5638 2.5638 2.5800 2.5800 6.7909 6.7909 7.4162 7.4162 7.7775 7.7775 8.5787 8.5787 8.6527 8.6527 8.7727 8.7727 9.6780 9.6780 9.8030 9.8030 10.2877 10.2877 10.3203 10.3203 10.3920 10.3920 10.7026 10.7026 12.3210 12.3210 12.4130 12.4130 12.6592 12.6592 k =-0.1035 0.2825 1.2499 ( 4121 PWs) bands (ev): -52.9207 -52.9207 -52.9136 -52.9136 -27.3903 -27.3903 -27.3351 -27.3351 -26.6551 -26.6551 -26.5848 -26.5848 -26.3726 -26.3726 -26.2642 -26.2642 2.5512 2.5512 2.5841 2.5841 6.7576 6.7576 7.4354 7.4354 7.7148 7.7148 8.5803 8.5803 8.6724 8.6724 8.7824 8.7824 9.7053 9.7053 9.7873 9.7873 10.3172 10.3172 10.3486 10.3486 10.3785 10.3785 10.7042 10.7042 12.3251 12.3251 12.4210 12.4210 12.6368 12.6368 k =-0.1094 0.2985 1.2329 ( 4126 PWs) bands (ev): -52.9209 -52.9209 -52.9134 -52.9134 -27.3881 -27.3881 -27.3339 -27.3339 -26.6530 -26.6530 -26.5821 -26.5821 -26.3765 -26.3765 -26.2682 -26.2682 2.5380 2.5380 2.5884 2.5884 6.7233 6.7233 7.4552 7.4552 7.6517 7.6517 8.5832 8.5832 8.6920 8.6920 8.7921 8.7921 9.7319 9.7319 9.7718 9.7718 10.3432 10.3432 10.3667 10.3667 10.3796 10.3796 10.7110 10.7110 12.3271 12.3271 12.4263 12.4263 12.6110 12.6110 k =-0.1152 0.3144 1.2160 ( 4124 PWs) bands (ev): -52.9211 -52.9211 -52.9133 -52.9133 -27.3858 -27.3858 -27.3326 -27.3326 -26.6507 -26.6507 -26.5793 -26.5793 -26.3807 -26.3807 -26.2725 -26.2725 2.5243 2.5243 2.5928 2.5928 6.6881 6.6881 7.4748 7.4748 7.5895 7.5895 8.5873 8.5873 8.7113 8.7113 8.8020 8.8020 9.7467 9.7467 9.7678 9.7678 10.3350 10.3350 10.3894 10.3894 10.4119 10.4119 10.7221 10.7221 12.3261 12.3261 12.4288 12.4288 12.5817 12.5817 k =-0.1210 0.3303 1.1990 ( 4124 PWs) bands (ev): -52.9214 -52.9214 -52.9131 -52.9131 -27.3834 -27.3834 -27.3313 -27.3313 -26.6483 -26.6483 -26.5762 -26.5762 -26.3850 -26.3850 -26.2769 -26.2769 2.5102 2.5102 2.5975 2.5975 6.6520 6.6520 7.4858 7.4858 7.5368 7.5368 8.5927 8.5927 8.7302 8.7302 8.8123 8.8123 9.7333 9.7333 9.7917 9.7917 10.3150 10.3150 10.4244 10.4244 10.4463 10.4463 10.7365 10.7365 12.3214 12.3214 12.4286 12.4286 12.5490 12.5490 k =-0.1269 0.3462 1.1821 ( 4124 PWs) bands (ev): -52.9216 -52.9216 -52.9129 -52.9129 -27.3809 -27.3809 -27.3300 -27.3300 -26.6457 -26.6457 -26.5731 -26.5731 -26.3895 -26.3895 -26.2816 -26.2816 2.4958 2.4958 2.6022 2.6022 6.6154 6.6154 7.4481 7.4481 7.5339 7.5339 8.5991 8.5991 8.7487 8.7487 8.8231 8.8231 9.7159 9.7159 9.8191 9.8191 10.2940 10.2940 10.4620 10.4620 10.4824 10.4824 10.7534 10.7534 12.3124 12.3124 12.4261 12.4261 12.5133 12.5133 k =-0.1327 0.3621 1.1651 ( 4120 PWs) bands (ev): -52.9218 -52.9218 -52.9128 -52.9128 -27.3784 -27.3784 -27.3287 -27.3287 -26.6430 -26.6430 -26.5697 -26.5697 -26.3941 -26.3941 -26.2864 -26.2864 2.4812 2.4812 2.6071 2.6071 6.5783 6.5783 7.3883 7.3883 7.5545 7.5545 8.6066 8.6066 8.7667 8.7667 8.8346 8.8346 9.6976 9.6976 9.8469 9.8469 10.2738 10.2738 10.5011 10.5011 10.5200 10.5200 10.7720 10.7720 12.2984 12.2984 12.4213 12.4213 12.4751 12.4751 k =-0.1385 0.3780 1.1482 ( 4122 PWs) bands (ev): -52.9220 -52.9220 -52.9126 -52.9126 -27.3758 -27.3758 -27.3275 -27.3275 -26.6401 -26.6401 -26.5662 -26.5662 -26.3990 -26.3990 -26.2914 -26.2914 2.4665 2.4665 2.6119 2.6119 6.5409 6.5409 7.3267 7.3267 7.5782 7.5782 8.6151 8.6151 8.7840 8.7840 8.8468 8.8468 9.6785 9.6785 9.8750 9.8750 10.2550 10.2550 10.5415 10.5415 10.5590 10.5590 10.7917 10.7917 12.2796 12.2796 12.4137 12.4137 12.4355 12.4355 k =-0.1443 0.3939 1.1312 ( 4120 PWs) bands (ev): -52.9222 -52.9222 -52.9125 -52.9125 -27.3733 -27.3733 -27.3262 -27.3262 -26.6371 -26.6371 -26.5626 -26.5626 -26.4039 -26.4039 -26.2966 -26.2966 2.4517 2.4517 2.6169 2.6169 6.5035 6.5035 7.2657 7.2657 7.6030 7.6030 8.6244 8.6244 8.8008 8.8008 8.8599 8.8599 9.6587 9.6587 9.9031 9.9031 10.2383 10.2383 10.5831 10.5831 10.5989 10.5989 10.8121 10.8121 12.2562 12.2562 12.3901 12.3901 12.4081 12.4081 k =-0.1502 0.4098 1.1143 ( 4120 PWs) bands (ev): -52.9224 -52.9224 -52.9123 -52.9123 -27.3707 -27.3707 -27.3249 -27.3249 -26.6339 -26.6339 -26.5588 -26.5588 -26.4090 -26.4090 -26.3020 -26.3020 2.4369 2.4369 2.6218 2.6218 6.4662 6.4662 7.2058 7.2058 7.6283 7.6283 8.6345 8.6345 8.8171 8.8171 8.8737 8.8737 9.6382 9.6382 9.9314 9.9314 10.2240 10.2240 10.6256 10.6256 10.6396 10.6396 10.8327 10.8327 12.2292 12.2292 12.3480 12.3480 12.3958 12.3958 k =-0.1560 0.4257 1.0974 ( 4118 PWs) bands (ev): -52.9226 -52.9226 -52.9122 -52.9122 -27.3680 -27.3680 -27.3237 -27.3237 -26.6306 -26.6306 -26.5549 -26.5549 -26.4141 -26.4141 -26.3076 -26.3076 2.4223 2.4223 2.6266 2.6266 6.4292 6.4292 7.1474 7.1474 7.6538 7.6538 8.6454 8.6454 8.8331 8.8331 8.8883 8.8883 9.6169 9.6169 9.9597 9.9597 10.2123 10.2123 10.6689 10.6689 10.6808 10.6808 10.8531 10.8531 12.1994 12.1994 12.3044 12.3044 12.3819 12.3819 k =-0.1618 0.4417 1.0804 ( 4110 PWs) bands (ev): -52.9228 -52.9228 -52.9121 -52.9121 -27.3654 -27.3654 -27.3225 -27.3225 -26.6272 -26.6272 -26.5509 -26.5509 -26.4193 -26.4193 -26.3133 -26.3133 2.4079 2.4079 2.6314 2.6314 6.3927 6.3927 7.0907 7.0907 7.6791 7.6791 8.6568 8.6568 8.8489 8.8489 8.9034 8.9034 9.5950 9.5950 9.9881 9.9881 10.2031 10.2031 10.7129 10.7129 10.7222 10.7222 10.8729 10.8729 12.1680 12.1680 12.2606 12.2606 12.3655 12.3655 k =-0.1677 0.4576 1.0635 ( 4110 PWs) bands (ev): -52.9230 -52.9230 -52.9119 -52.9119 -27.3628 -27.3628 -27.3214 -27.3214 -26.6235 -26.6235 -26.5468 -26.5468 -26.4246 -26.4246 -26.3191 -26.3191 2.3937 2.3937 2.6361 2.6361 6.3570 6.3570 7.0361 7.0361 7.7042 7.7042 8.6687 8.6687 8.8648 8.8648 8.9188 8.9188 9.5727 9.5727 10.0165 10.0165 10.1962 10.1962 10.7573 10.7573 10.7636 10.7636 10.8919 10.8919 12.1359 12.1359 12.2170 12.2170 12.3464 12.3464 k =-0.1735 0.4735 1.0465 ( 4110 PWs) bands (ev): -52.9232 -52.9232 -52.9118 -52.9118 -27.3603 -27.3603 -27.3203 -27.3203 -26.6198 -26.6198 -26.5426 -26.5426 -26.4299 -26.4299 -26.3250 -26.3250 2.3800 2.3800 2.6407 2.6407 6.3221 6.3221 6.9837 6.9837 7.7287 7.7287 8.6810 8.6810 8.8808 8.8808 8.9346 8.9346 9.5502 9.5502 10.0449 10.0449 10.1916 10.1916 10.8007 10.8007 10.8058 10.8058 10.9098 10.9098 12.1040 12.1040 12.1744 12.1744 12.3246 12.3246 k =-0.1793 0.4894 1.0296 ( 4103 PWs) bands (ev): -52.9233 -52.9233 -52.9117 -52.9117 -27.3578 -27.3578 -27.3193 -27.3193 -26.6158 -26.6158 -26.5384 -26.5384 -26.4351 -26.4351 -26.3311 -26.3311 2.3666 2.3666 2.6451 2.6451 6.2884 6.2884 6.9337 6.9337 7.7524 7.7524 8.6936 8.6936 8.8972 8.8972 8.9505 8.9505 9.5276 9.5276 10.0733 10.0733 10.1887 10.1887 10.8410 10.8410 10.8503 10.8503 10.9263 10.9263 12.0730 12.0730 12.1332 12.1332 12.3003 12.3003 k =-0.1852 0.5053 1.0126 ( 4101 PWs) bands (ev): -52.9235 -52.9235 -52.9116 -52.9116 -27.3553 -27.3553 -27.3184 -27.3184 -26.6118 -26.6118 -26.5343 -26.5343 -26.4402 -26.4402 -26.3373 -26.3373 2.3538 2.3538 2.6493 2.6493 6.2559 6.2559 6.8862 6.8862 7.7752 7.7752 8.7062 8.7062 8.9136 8.9136 8.9667 8.9667 9.5052 9.5052 10.1015 10.1015 10.1872 10.1872 10.8789 10.8789 10.8960 10.8960 10.9413 10.9413 12.0435 12.0435 12.0940 12.0940 12.2738 12.2738 k =-0.1910 0.5212 0.9957 ( 4101 PWs) bands (ev): -52.9236 -52.9236 -52.9115 -52.9115 -27.3529 -27.3529 -27.3175 -27.3175 -26.6076 -26.6076 -26.5302 -26.5302 -26.4452 -26.4452 -26.3435 -26.3435 2.3416 2.3416 2.6534 2.6534 6.2249 6.2249 6.8414 6.8414 7.7968 7.7968 8.7189 8.7189 8.9301 8.9301 8.9832 8.9832 9.4833 9.4833 10.1295 10.1295 10.1867 10.1867 10.9144 10.9144 10.9413 10.9413 10.9554 10.9554 12.0157 12.0157 12.0574 12.0574 12.2453 12.2453 k =-0.1968 0.5371 0.9787 ( 4103 PWs) bands (ev): -52.9237 -52.9237 -52.9114 -52.9114 -27.3507 -27.3507 -27.3167 -27.3167 -26.6032 -26.6032 -26.5263 -26.5263 -26.4499 -26.4499 -26.3498 -26.3498 2.3300 2.3300 2.6572 2.6572 6.1955 6.1955 6.7995 6.7995 7.8172 7.8172 8.7314 8.7314 8.9462 8.9462 9.0001 9.0001 9.4621 9.4621 10.1570 10.1570 10.1868 10.1868 10.9466 10.9466 10.9656 10.9656 10.9895 10.9895 11.9899 11.9899 12.0240 12.0240 12.2153 12.2153 k =-0.2027 0.5530 0.9618 ( 4105 PWs) bands (ev): -52.9239 -52.9239 -52.9114 -52.9114 -27.3485 -27.3485 -27.3160 -27.3160 -26.5988 -26.5988 -26.5228 -26.5228 -26.4542 -26.4542 -26.3562 -26.3562 2.3191 2.3191 2.6608 2.6608 6.1679 6.1679 6.7604 6.7604 7.8361 7.8361 8.7436 8.7436 8.9615 8.9615 9.0176 9.0176 9.4418 9.4418 10.1827 10.1827 10.1885 10.1885 10.9703 10.9703 10.9817 10.9817 11.0354 11.0354 11.9659 11.9659 11.9944 11.9944 12.1843 12.1843 k =-0.2085 0.5689 0.9448 ( 4103 PWs) bands (ev): -52.9240 -52.9240 -52.9113 -52.9113 -27.3464 -27.3464 -27.3153 -27.3153 -26.5942 -26.5942 -26.5197 -26.5197 -26.4579 -26.4579 -26.3626 -26.3626 2.3089 2.3089 2.6641 2.6641 6.1421 6.1421 6.7245 6.7245 7.8535 7.8535 8.7553 8.7553 8.9758 8.9758 9.0359 9.0359 9.4226 9.4226 10.1864 10.1864 10.2112 10.2112 10.9806 10.9806 11.0058 11.0058 11.0815 11.0815 11.9437 11.9437 11.9689 11.9689 12.1529 12.1529 k =-0.2143 0.5848 0.9279 ( 4105 PWs) bands (ev): -52.9241 -52.9241 -52.9112 -52.9112 -27.3444 -27.3444 -27.3148 -27.3148 -26.5895 -26.5895 -26.5175 -26.5175 -26.4607 -26.4607 -26.3690 -26.3690 2.2996 2.2996 2.6672 2.6672 6.1185 6.1185 6.6916 6.6916 7.8693 7.8693 8.7665 8.7665 8.9887 8.9887 9.0548 9.0548 9.4048 9.4048 10.1860 10.1860 10.2366 10.2366 10.9874 10.9874 11.0278 11.0278 11.1272 11.1272 11.9232 11.9232 11.9476 11.9476 12.1218 12.1218 k =-0.2201 0.6008 0.9110 ( 4109 PWs) bands (ev): -52.9242 -52.9242 -52.9112 -52.9112 -27.3426 -27.3426 -27.3143 -27.3143 -26.5846 -26.5846 -26.5164 -26.5164 -26.4624 -26.4624 -26.3754 -26.3754 2.2911 2.2911 2.6699 2.6699 6.0970 6.0970 6.6621 6.6621 7.8834 7.8834 8.7770 8.7770 9.0001 9.0001 9.0741 9.0741 9.3884 9.3884 10.1848 10.1848 10.2610 10.2610 10.9927 10.9927 11.0461 11.0461 11.1723 11.1723 11.9038 11.9038 11.9306 11.9306 12.0919 12.0919 k =-0.2260 0.6167 0.8940 ( 4117 PWs) bands (ev): -52.9243 -52.9243 -52.9111 -52.9111 -27.3410 -27.3410 -27.3139 -27.3139 -26.5797 -26.5797 -26.5165 -26.5165 -26.4627 -26.4627 -26.3817 -26.3817 2.2836 2.2836 2.6724 2.6724 6.0778 6.0778 6.6358 6.6358 7.8959 7.8959 8.7866 8.7866 9.0099 9.0099 9.0932 9.0932 9.3736 9.3736 10.1829 10.1829 10.2839 10.2839 10.9969 10.9969 11.0602 11.0602 11.2165 11.2165 11.8844 11.8844 11.9183 11.9183 12.0641 12.0641 k =-0.2318 0.6326 0.8771 ( 4113 PWs) bands (ev): -52.9243 -52.9243 -52.9111 -52.9111 -27.3395 -27.3395 -27.3136 -27.3136 -26.5747 -26.5747 -26.5179 -26.5179 -26.4617 -26.4617 -26.3879 -26.3879 2.2769 2.2769 2.6746 2.6746 6.0609 6.0609 6.6129 6.6129 7.9066 7.9066 8.7953 8.7953 9.0184 9.0184 9.1116 9.1116 9.3606 9.3606 10.1804 10.1804 10.3049 10.3049 11.0002 11.0002 11.0705 11.0705 11.2592 11.2592 11.8640 11.8640 11.9107 11.9107 12.0395 12.0395 k =-0.2376 0.6485 0.8601 ( 4111 PWs) bands (ev): -52.9244 -52.9244 -52.9110 -52.9110 -27.3383 -27.3383 -27.3133 -27.3133 -26.5696 -26.5696 -26.5205 -26.5205 -26.4596 -26.4596 -26.3939 -26.3939 2.2712 2.2712 2.6765 2.6765 6.0465 6.0465 6.5934 6.5934 7.9157 7.9157 8.8028 8.8028 9.0254 9.0254 9.1287 9.1287 9.3493 9.3493 10.1774 10.1774 10.3238 10.3238 11.0029 11.0029 11.0773 11.0773 11.3000 11.3000 11.8422 11.8422 11.9074 11.9074 12.0187 12.0187 k =-0.2435 0.6644 0.8432 ( 4107 PWs) bands (ev): -52.9245 -52.9245 -52.9110 -52.9110 -27.3372 -27.3372 -27.3131 -27.3131 -26.5645 -26.5645 -26.5240 -26.5240 -26.4567 -26.4567 -26.3996 -26.3996 2.2666 2.2666 2.6780 2.6780 6.0347 6.0347 6.5774 6.5774 7.9230 7.9230 8.8091 8.8091 9.0311 9.0311 9.1438 9.1438 9.3400 9.3400 10.1743 10.1743 10.3400 10.3400 11.0051 11.0051 11.0814 11.0814 11.3378 11.3378 11.8193 11.8193 11.9076 11.9076 12.0022 12.0022 k =-0.2493 0.6803 0.8262 ( 4101 PWs) bands (ev): -52.9245 -52.9245 -52.9110 -52.9110 -27.3364 -27.3364 -27.3130 -27.3130 -26.5594 -26.5594 -26.5280 -26.5280 -26.4533 -26.4533 -26.4049 -26.4049 2.2629 2.2629 2.6792 2.6792 6.0254 6.0254 6.5649 6.5649 7.9287 7.9287 8.8142 8.8142 9.0355 9.0355 9.1563 9.1563 9.3326 9.3326 10.1713 10.1713 10.3532 10.3532 11.0068 11.0068 11.0834 11.0834 11.3713 11.3713 11.7969 11.7969 11.9101 11.9101 11.9898 11.9898 k =-0.2551 0.6962 0.8093 ( 4094 PWs) bands (ev): -52.9245 -52.9245 -52.9109 -52.9109 -27.3358 -27.3358 -27.3129 -27.3129 -26.5545 -26.5545 -26.5323 -26.5323 -26.4501 -26.4501 -26.4094 -26.4094 2.2603 2.2603 2.6800 2.6800 6.0187 6.0187 6.5560 6.5560 7.9328 7.9328 8.8178 8.8178 9.0386 9.0386 9.1656 9.1656 9.3273 9.3273 10.1688 10.1688 10.3629 10.3629 11.0080 11.0080 11.0842 11.0842 11.3984 11.3984 11.7773 11.7773 11.9134 11.9134 11.9812 11.9812 k =-0.2610 0.7121 0.7923 ( 4094 PWs) bands (ev): -52.9245 -52.9245 -52.9109 -52.9109 -27.3354 -27.3354 -27.3128 -27.3128 -26.5500 -26.5500 -26.5364 -26.5364 -26.4476 -26.4476 -26.4126 -26.4126 2.2587 2.2587 2.6806 2.6806 6.0147 6.0147 6.5506 6.5506 7.9352 7.9352 8.8200 8.8200 9.0405 9.0405 9.1715 9.1715 9.3241 9.3241 10.1672 10.1672 10.3689 10.3689 11.0088 11.0088 11.0845 11.0845 11.4164 11.4164 11.7636 11.7636 11.9161 11.9161 11.9762 11.9762 k =-0.2668 0.7280 0.7754 ( 4094 PWs) bands (ev): -52.9245 -52.9245 -52.9109 -52.9109 -27.3353 -27.3353 -27.3128 -27.3128 -26.5478 -26.5478 -26.5386 -26.5386 -26.4465 -26.4465 -26.4139 -26.4139 2.2581 2.2581 2.6807 2.6807 6.0133 6.0133 6.5488 6.5488 7.9361 7.9361 8.8207 8.8207 9.0411 9.0411 9.1734 9.1734 9.3231 9.3231 10.1667 10.1667 10.3709 10.3709 11.0090 11.0090 11.0845 11.0845 11.4228 11.4228 11.7586 11.7586 11.9172 11.9172 11.9745 11.9745 k =-0.2668 0.7280 0.7754 ( 4094 PWs) bands (ev): -52.9245 -52.9245 -52.9109 -52.9109 -27.3353 -27.3353 -27.3128 -27.3128 -26.5478 -26.5478 -26.5386 -26.5386 -26.4465 -26.4465 -26.4139 -26.4139 2.2581 2.2581 2.6807 2.6807 6.0133 6.0133 6.5488 6.5488 7.9361 7.9361 8.8207 8.8207 9.0411 9.0411 9.1734 9.1734 9.3231 9.3231 10.1667 10.1667 10.3709 10.3709 11.0090 11.0090 11.0845 11.0845 11.4228 11.4228 11.7586 11.7586 11.9172 11.9172 11.9745 11.9745 k =-0.2609 0.7119 0.7582 ( 4098 PWs) bands (ev): -52.9221 -52.9221 -52.9133 -52.9133 -27.3313 -27.3313 -27.3166 -27.3166 -26.5466 -26.5466 -26.5384 -26.5384 -26.4421 -26.4421 -26.4201 -26.4201 2.2602 2.2602 2.7044 2.7044 5.9872 5.9872 6.5514 6.5514 7.9505 7.9505 8.8296 8.8296 9.0109 9.0109 9.1587 9.1587 9.3204 9.3204 10.1827 10.1827 10.3537 10.3537 11.0106 11.0106 11.0513 11.0513 11.4318 11.4318 11.7976 11.7976 11.9304 11.9304 11.9708 11.9708 k =-0.2549 0.6957 0.7409 ( 4110 PWs) bands (ev): -52.9197 -52.9197 -52.9157 -52.9157 -27.3273 -27.3273 -27.3204 -27.3204 -26.5460 -26.5460 -26.5382 -26.5382 -26.4376 -26.4376 -26.4257 -26.4257 2.2562 2.2562 2.7239 2.7239 5.9698 5.9698 6.5604 6.5604 7.9575 7.9575 8.8400 8.8400 8.9819 8.9819 9.1468 9.1468 9.3188 9.3188 10.1978 10.1978 10.3374 10.3374 10.9985 10.9985 11.0174 11.0174 11.4554 11.4554 11.8346 11.8346 11.9466 11.9466 11.9723 11.9723 k =-0.2490 0.6795 0.7237 ( 4114 PWs) bands (ev): -52.9182 -52.9182 -52.9173 -52.9173 -27.3251 -27.3251 -27.3226 -27.3226 -26.5459 -26.5459 -26.5382 -26.5382 -26.4355 -26.4355 -26.4280 -26.4280 2.2461 2.2461 2.7393 2.7393 5.9611 5.9611 6.5757 6.5757 7.9572 7.9572 8.8519 8.8519 8.9544 8.9544 9.1377 9.1377 9.3181 9.3181 10.2114 10.2114 10.3219 10.3219 10.9751 10.9751 10.9830 10.9830 11.4913 11.4913 11.8681 11.8681 11.9655 11.9655 11.9808 11.9808 k =-0.2431 0.6633 0.7065 ( 4118 PWs) bands (ev): -52.9206 -52.9206 -52.9149 -52.9149 -27.3286 -27.3286 -27.3191 -27.3191 -26.5462 -26.5462 -26.5383 -26.5383 -26.4391 -26.4391 -26.4239 -26.4239 2.2301 2.2301 2.7503 2.7503 5.9611 5.9611 6.5975 6.5975 7.9498 7.9498 8.8650 8.8650 8.9287 8.9287 9.1314 9.1314 9.3181 9.3181 10.2235 10.2235 10.3071 10.3071 10.9435 10.9435 10.9488 10.9488 11.5366 11.5366 11.8961 11.8961 11.9862 11.9862 11.9985 11.9985 k =-0.2371 0.6472 0.6892 ( 4120 PWs) bands (ev): -52.9230 -52.9230 -52.9125 -52.9125 -27.3326 -27.3326 -27.3153 -27.3153 -26.5470 -26.5470 -26.5384 -26.5384 -26.4437 -26.4437 -26.4181 -26.4181 2.2082 2.2082 2.7571 2.7571 5.9695 5.9695 6.6256 6.6256 7.9357 7.9357 8.8785 8.8785 8.9058 8.9058 9.1280 9.1280 9.3184 9.3184 10.2337 10.2337 10.2930 10.2930 10.9063 10.9063 10.9149 10.9149 11.5886 11.5886 11.9183 11.9183 12.0087 12.0087 12.0259 12.0259 k =-0.2312 0.6310 0.6720 ( 4108 PWs) bands (ev): -52.9254 -52.9254 -52.9101 -52.9101 -27.3367 -27.3367 -27.3115 -27.3115 -26.5483 -26.5483 -26.5387 -26.5387 -26.4480 -26.4480 -26.4117 -26.4117 2.1807 2.1807 2.7597 2.7597 5.9858 5.9858 6.6600 6.6600 7.9158 7.9158 8.8775 8.8775 8.9005 8.9005 9.1275 9.1275 9.3185 9.3185 10.2420 10.2420 10.2796 10.2796 10.8657 10.8657 10.8816 10.8816 11.6455 11.6455 11.9365 11.9365 12.0331 12.0331 12.0600 12.0600 k =-0.2253 0.6148 0.6548 ( 4110 PWs) bands (ev): -52.9277 -52.9277 -52.9077 -52.9077 -27.3407 -27.3407 -27.3078 -27.3078 -26.5501 -26.5501 -26.5390 -26.5390 -26.4518 -26.4518 -26.4051 -26.4051 2.1480 2.1480 2.7581 2.7581 6.0095 6.0095 6.7005 6.7005 7.8908 7.8908 8.8587 8.8587 8.9160 8.9160 9.1298 9.1298 9.3177 9.3177 10.2478 10.2478 10.2676 10.2676 10.8229 10.8229 10.8494 10.8494 11.7060 11.7060 11.9530 11.9530 12.0592 12.0592 12.0980 12.0980 k =-0.2194 0.5986 0.6375 ( 4120 PWs) bands (ev): -52.9301 -52.9301 -52.9054 -52.9054 -27.3448 -27.3448 -27.3041 -27.3041 -26.5524 -26.5524 -26.5393 -26.5393 -26.4551 -26.4551 -26.3982 -26.3982 2.1105 2.1105 2.7526 2.7526 6.0399 6.0399 6.7467 6.7467 7.8617 7.8617 8.8403 8.8403 8.9343 8.9343 9.1350 9.1350 9.3154 9.3154 10.2468 10.2468 10.2613 10.2613 10.7789 10.7789 10.8185 10.8185 11.7692 11.7692 11.9693 11.9693 12.0868 12.0868 12.1379 12.1379 k =-0.2134 0.5824 0.6203 ( 4112 PWs) bands (ev): -52.9325 -52.9325 -52.9030 -52.9030 -27.3490 -27.3490 -27.3005 -27.3005 -26.5553 -26.5553 -26.5397 -26.5397 -26.4578 -26.4578 -26.3912 -26.3912 2.0686 2.0686 2.7434 2.7434 6.0761 6.0761 6.7985 6.7985 7.8297 7.8297 8.8235 8.8235 8.9538 8.9538 9.1430 9.1430 9.3111 9.3111 10.2369 10.2369 10.2630 10.2630 10.7343 10.7343 10.7894 10.7894 11.8342 11.8342 11.9859 11.9859 12.1155 12.1155 12.1725 12.1725 k =-0.2075 0.5663 0.6031 ( 4108 PWs) bands (ev): -52.9348 -52.9348 -52.9007 -52.9007 -27.3531 -27.3531 -27.2970 -27.2970 -26.5586 -26.5586 -26.5401 -26.5401 -26.4599 -26.4599 -26.3841 -26.3841 2.0229 2.0229 2.7307 2.7307 6.1171 6.1171 6.8554 6.8554 7.7958 7.7958 8.8087 8.8087 8.9742 8.9742 9.1537 9.1537 9.3044 9.3044 10.2249 10.2249 10.2659 10.2659 10.6897 10.6897 10.7624 10.7624 11.9004 11.9004 12.0029 12.0029 12.1452 12.1452 12.1759 12.1759 k =-0.2016 0.5501 0.5858 ( 4114 PWs) bands (ev): -52.9371 -52.9371 -52.8984 -52.8984 -27.3572 -27.3572 -27.2935 -27.2935 -26.5624 -26.5624 -26.5405 -26.5405 -26.4615 -26.4615 -26.3770 -26.3770 1.9739 1.9739 2.7147 2.7147 6.1618 6.1618 6.9171 6.9171 7.7615 7.7615 8.7958 8.7958 8.9951 8.9951 9.1672 9.1672 9.2950 9.2950 10.2124 10.2124 10.2684 10.2684 10.6453 10.6453 10.7379 10.7379 11.9657 11.9657 12.0216 12.0216 12.1727 12.1727 12.1768 12.1768 k =-0.1956 0.5339 0.5686 ( 4124 PWs) bands (ev): -52.9394 -52.9394 -52.8961 -52.8961 -27.3613 -27.3613 -27.2902 -27.2902 -26.5666 -26.5666 -26.5410 -26.5410 -26.4626 -26.4626 -26.3698 -26.3698 1.9220 1.9220 2.6958 2.6958 6.2090 6.2090 6.9833 6.9833 7.7280 7.7280 8.7850 8.7850 9.0163 9.0163 9.1831 9.1831 9.2828 9.2828 10.1998 10.1998 10.2705 10.2705 10.6016 10.6016 10.7162 10.7162 12.0163 12.0163 12.0546 12.0546 12.1698 12.1698 12.2071 12.2071 k =-0.1897 0.5177 0.5514 ( 4128 PWs) bands (ev): -52.9417 -52.9417 -52.8939 -52.8939 -27.3654 -27.3654 -27.2869 -27.2869 -26.5711 -26.5711 -26.5414 -26.5414 -26.4632 -26.4632 -26.3625 -26.3625 1.8679 1.8679 2.6743 2.6743 6.2570 6.2570 7.0534 7.0534 7.6970 7.6970 8.7762 8.7762 9.0375 9.0375 9.2015 9.2015 9.2680 9.2680 10.1868 10.1868 10.2722 10.2722 10.5587 10.5587 10.6979 10.6979 12.0374 12.0374 12.1151 12.1151 12.1648 12.1648 12.2388 12.2388 k =-0.1838 0.5015 0.5342 ( 4132 PWs) bands (ev): -52.9439 -52.9439 -52.8917 -52.8917 -27.3694 -27.3694 -27.2838 -27.2838 -26.5759 -26.5759 -26.5418 -26.5418 -26.4634 -26.4634 -26.3553 -26.3553 1.8119 1.8119 2.6505 2.6505 6.3043 6.3043 7.1270 7.1270 7.6700 7.6700 8.7693 8.7693 9.0584 9.0584 9.2213 9.2213 9.2515 9.2515 10.1736 10.1736 10.2736 10.2736 10.5170 10.5170 10.6832 10.6832 12.0494 12.0494 12.1506 12.1506 12.1895 12.1895 12.2709 12.2709 k =-0.1779 0.4854 0.5169 ( 4128 PWs) bands (ev): -52.9461 -52.9461 -52.8895 -52.8895 -27.3735 -27.3735 -27.2807 -27.2807 -26.5808 -26.5808 -26.5422 -26.5422 -26.4632 -26.4632 -26.3482 -26.3482 1.7545 1.7545 2.6246 2.6246 6.3489 6.3489 7.2036 7.2036 7.6489 7.6489 8.7645 8.7645 9.0787 9.0787 9.2259 9.2259 9.2502 9.2502 10.1599 10.1599 10.2746 10.2746 10.4765 10.4765 10.6726 10.6726 12.0571 12.0571 12.1415 12.1415 12.2576 12.2576 12.3033 12.3033 k =-0.1719 0.4692 0.4997 ( 4128 PWs) bands (ev): -52.9483 -52.9483 -52.8874 -52.8874 -27.3774 -27.3774 -27.2778 -27.2778 -26.5859 -26.5859 -26.5426 -26.5426 -26.4627 -26.4627 -26.3410 -26.3410 1.6962 1.6962 2.5970 2.5970 6.3888 6.3888 7.2829 7.2829 7.6356 7.6356 8.7616 8.7616 9.0978 9.0978 9.2058 9.2058 9.2736 9.2736 10.1457 10.1457 10.2755 10.2755 10.4377 10.4377 10.6664 10.6664 12.0605 12.0605 12.1282 12.1282 12.3274 12.3274 12.3359 12.3359 k =-0.1660 0.4530 0.4825 ( 4116 PWs) bands (ev): -52.9504 -52.9504 -52.8853 -52.8853 -27.3813 -27.3813 -27.2749 -27.2749 -26.5912 -26.5912 -26.5430 -26.5430 -26.4620 -26.4620 -26.3340 -26.3340 1.6373 1.6373 2.5680 2.5680 6.4221 6.4221 7.3642 7.3642 7.6320 7.6320 8.7606 8.7606 9.1155 9.1155 9.1827 9.1827 9.3007 9.3007 10.1309 10.1309 10.2761 10.2761 10.4006 10.4006 10.6651 10.6651 12.0591 12.0591 12.1123 12.1123 12.3683 12.3683 12.3973 12.3973 k =-0.1601 0.4368 0.4652 ( 4124 PWs) bands (ev): -52.9525 -52.9525 -52.8832 -52.8832 -27.3852 -27.3852 -27.2721 -27.2721 -26.5964 -26.5964 -26.5433 -26.5433 -26.4610 -26.4610 -26.3270 -26.3270 1.5781 1.5781 2.5378 2.5378 6.4470 6.4470 7.4472 7.4472 7.6396 7.6396 8.7615 8.7615 9.1302 9.1302 9.1595 9.1595 9.3298 9.3298 10.1153 10.1153 10.2764 10.2764 10.3656 10.3656 10.6690 10.6690 12.0524 12.0524 12.0946 12.0946 12.4009 12.4009 12.4660 12.4660 k =-0.1541 0.4206 0.4480 ( 4122 PWs) bands (ev): -52.9545 -52.9545 -52.8812 -52.8812 -27.3890 -27.3890 -27.2695 -27.2695 -26.6017 -26.6017 -26.5437 -26.5437 -26.4599 -26.4599 -26.3202 -26.3202 1.5191 1.5191 2.5067 2.5067 6.4625 6.4625 7.5312 7.5312 7.6592 7.6592 8.7642 8.7642 9.1272 9.1272 9.1515 9.1515 9.3603 9.3603 10.0988 10.0988 10.2765 10.2765 10.3330 10.3330 10.6784 10.6784 12.0402 12.0402 12.0753 12.0753 12.4333 12.4333 12.5330 12.5331 k =-0.1482 0.4045 0.4308 ( 4120 PWs) bands (ev): -52.9565 -52.9565 -52.8793 -52.8793 -27.3927 -27.3927 -27.2670 -27.2670 -26.6070 -26.6070 -26.5440 -26.5440 -26.4586 -26.4586 -26.3135 -26.3135 1.4605 1.4605 2.4750 2.4750 6.4680 6.4680 7.6157 7.6157 7.6911 7.6911 8.7687 8.7687 9.1040 9.1040 9.1617 9.1617 9.3920 9.3920 10.0814 10.0814 10.2762 10.2762 10.3031 10.3031 10.6935 10.6935 12.0230 12.0230 12.0544 12.0544 12.4656 12.4656 12.5973 12.5973 k =-0.1423 0.3883 0.4135 ( 4114 PWs) bands (ev): -52.9584 -52.9584 -52.8774 -52.8774 -27.3964 -27.3964 -27.2645 -27.2645 -26.6122 -26.6122 -26.5443 -26.5443 -26.4572 -26.4572 -26.3069 -26.3069 1.4025 1.4025 2.4429 2.4429 6.4640 6.4640 7.6998 7.6998 7.7350 7.7350 8.7748 8.7748 9.0796 9.0796 9.1714 9.1714 9.4242 9.4242 10.0629 10.0629 10.2736 10.2736 10.2784 10.2784 10.7144 10.7144 12.0021 12.0021 12.0311 12.0311 12.4975 12.4975 12.6574 12.6574 k =-0.1364 0.3721 0.3963 ( 4112 PWs) bands (ev): -52.9602 -52.9602 -52.8756 -52.8756 -27.3999 -27.3999 -27.2622 -27.2622 -26.6173 -26.6173 -26.5445 -26.5445 -26.4557 -26.4557 -26.3005 -26.3005 1.3455 1.3455 2.4107 2.4107 6.4516 6.4516 7.7781 7.7781 7.7941 7.7941 8.7826 8.7826 9.0565 9.0565 9.1792 9.1792 9.4566 9.4566 10.0432 10.0432 10.2525 10.2525 10.2755 10.2755 10.7411 10.7411 11.9788 11.9788 12.0051 12.0051 12.5291 12.5291 12.7122 12.7122 k =-0.1304 0.3559 0.3791 ( 4106 PWs) bands (ev): -52.9620 -52.9620 -52.8738 -52.8738 -27.4034 -27.4034 -27.2600 -27.2600 -26.6223 -26.6223 -26.5448 -26.5448 -26.4541 -26.4541 -26.2943 -26.2943 1.2897 1.2897 2.3785 2.3785 6.4321 6.4321 7.8434 7.8434 7.8732 7.8732 8.7918 8.7918 9.0357 9.0357 9.1848 9.1848 9.4883 9.4883 10.0224 10.0224 10.2336 10.2336 10.2743 10.2743 10.7736 10.7736 11.9533 11.9533 11.9768 11.9768 12.5603 12.5603 12.7630 12.7630 k =-0.1245 0.3398 0.3618 ( 4114 PWs) bands (ev): -52.9638 -52.9638 -52.8721 -52.8721 -27.4067 -27.4067 -27.2579 -27.2579 -26.6272 -26.6272 -26.5450 -26.5450 -26.4525 -26.4525 -26.2882 -26.2882 1.2352 1.2352 2.3465 2.3465 6.4071 6.4071 7.9095 7.9095 7.9554 7.9554 8.8024 8.8024 9.0186 9.0186 9.1882 9.1882 9.5186 9.5186 10.0003 10.0003 10.2194 10.2194 10.2729 10.2729 10.8117 10.8117 11.9241 11.9241 11.9490 11.9490 12.5911 12.5911 12.8118 12.8118 k =-0.1186 0.3236 0.3446 ( 4108 PWs) bands (ev): -52.9655 -52.9655 -52.8704 -52.8704 -27.4100 -27.4100 -27.2559 -27.2559 -26.6319 -26.6319 -26.5452 -26.5452 -26.4508 -26.4508 -26.2824 -26.2824 1.1822 1.1822 2.3150 2.3150 6.3779 6.3779 7.9776 7.9776 8.0366 8.0366 8.8142 8.8142 9.0064 9.0064 9.1895 9.1895 9.5467 9.5467 9.9769 9.9769 10.2109 10.2109 10.2711 10.2711 10.8552 10.8552 11.8888 11.8888 11.9248 11.9248 12.6215 12.6215 12.8590 12.8590 k =-0.1126 0.3074 0.3274 ( 4112 PWs) bands (ev): -52.9671 -52.9671 -52.8688 -52.8688 -27.4131 -27.4131 -27.2540 -27.2540 -26.6365 -26.6365 -26.5454 -26.5454 -26.4492 -26.4492 -26.2767 -26.2767 1.1310 1.1310 2.2840 2.2840 6.3458 6.3458 8.0452 8.0452 8.1159 8.1159 8.8272 8.8272 9.0009 9.0009 9.1890 9.1890 9.5717 9.5717 9.9522 9.9522 10.2088 10.2088 10.2691 10.2691 10.9037 10.9037 11.8481 11.8481 11.9046 11.9046 12.6513 12.6513 12.9035 12.9035 k =-0.1067 0.2912 0.3102 ( 4116 PWs) bands (ev): -52.9686 -52.9686 -52.8673 -52.8673 -27.4161 -27.4161 -27.2522 -27.2522 -26.6409 -26.6409 -26.5455 -26.5455 -26.4475 -26.4475 -26.2713 -26.2713 1.0816 1.0816 2.2538 2.2538 6.3118 6.3118 8.1097 8.1097 8.1930 8.1930 8.8413 8.8413 9.0041 9.0041 9.1868 9.1868 9.5927 9.5927 9.9263 9.9263 10.2138 10.2138 10.2669 10.2669 10.9568 10.9568 11.8031 11.8031 11.8878 11.8878 12.6807 12.6807 12.9405 12.9406 k =-0.1008 0.2750 0.2929 ( 4112 PWs) bands (ev): -52.9701 -52.9701 -52.8659 -52.8659 -27.4190 -27.4190 -27.2505 -27.2505 -26.6451 -26.6451 -26.5457 -26.5457 -26.4459 -26.4459 -26.2661 -26.2661 1.0343 1.0343 2.2245 2.2245 6.2768 6.2768 8.1681 8.1681 8.2673 8.2673 8.8563 8.8563 9.0178 9.0178 9.1832 9.1832 9.6092 9.6092 9.8993 9.8993 10.2261 10.2261 10.2644 10.2644 11.0141 11.0141 11.7548 11.7548 11.8742 11.8742 12.7095 12.7095 12.9647 12.9647 k =-0.0949 0.2589 0.2757 ( 4108 PWs) bands (ev): -52.9715 -52.9715 -52.8645 -52.8645 -27.4217 -27.4217 -27.2489 -27.2489 -26.6491 -26.6491 -26.5458 -26.5458 -26.4442 -26.4442 -26.2611 -26.2611 0.9890 0.9890 2.1962 2.1962 6.2416 6.2416 8.2177 8.2177 8.3386 8.3386 8.8724 8.8724 9.0440 9.0440 9.1784 9.1784 9.6210 9.6210 9.8712 9.8712 10.2453 10.2453 10.2623 10.2623 11.0750 11.0750 11.7037 11.7037 11.8638 11.8638 12.7379 12.7379 12.9761 12.9761 k =-0.0889 0.2427 0.2585 ( 4106 PWs) bands (ev): -52.9728 -52.9728 -52.8632 -52.8632 -27.4243 -27.4243 -27.2475 -27.2475 -26.6530 -26.6530 -26.5459 -26.5459 -26.4427 -26.4427 -26.2564 -26.2564 0.9460 0.9460 2.1690 2.1690 6.2066 6.2066 8.2570 8.2570 8.4067 8.4067 8.8893 8.8893 9.0838 9.0838 9.1728 9.1728 9.6284 9.6284 9.8421 9.8421 10.2570 10.2570 10.2745 10.2745 11.1389 11.1389 11.6501 11.6501 11.8565 11.8565 12.7658 12.7658 12.9760 12.9760 k =-0.0830 0.2265 0.2412 ( 4104 PWs) bands (ev): -52.9741 -52.9741 -52.8620 -52.8620 -27.4267 -27.4267 -27.2461 -27.2461 -26.6566 -26.6566 -26.5460 -26.5460 -26.4411 -26.4411 -26.2519 -26.2519 0.9054 0.9054 2.1431 2.1431 6.1724 6.1724 8.2855 8.2855 8.4715 8.4715 8.9066 8.9066 9.1368 9.1368 9.1665 9.1665 9.6317 9.6317 9.8123 9.8123 10.2545 10.2545 10.3069 10.3069 11.2053 11.2053 11.5943 11.5943 11.8521 11.8521 12.7933 12.7933 12.9654 12.9654 k =-0.0771 0.2103 0.2240 ( 4104 PWs) bands (ev): -52.9753 -52.9753 -52.8608 -52.8608 -27.4291 -27.4291 -27.2448 -27.2448 -26.6600 -26.6600 -26.5461 -26.5461 -26.4397 -26.4397 -26.2477 -26.2477 0.8672 0.8672 2.1186 2.1186 6.1394 6.1394 8.3039 8.3039 8.5329 8.5329 8.9243 8.9243 9.1596 9.1596 9.2023 9.2023 9.6318 9.6318 9.7819 9.7819 10.2514 10.2514 10.3450 10.3450 11.2734 11.2734 11.5366 11.5366 11.8506 11.8506 12.8203 12.8203 12.9456 12.9456 k =-0.0711 0.1941 0.2068 ( 4100 PWs) bands (ev): -52.9763 -52.9763 -52.8597 -52.8597 -27.4312 -27.4312 -27.2437 -27.2437 -26.6632 -26.6632 -26.5462 -26.5462 -26.4383 -26.4383 -26.2438 -26.2438 0.8315 0.8315 2.0955 2.0955 6.1079 6.1079 8.3141 8.3141 8.5907 8.5907 8.9419 8.9419 9.1527 9.1527 9.2776 9.2776 9.6295 9.6295 9.7510 9.7510 10.2481 10.2481 10.3872 10.3872 11.3423 11.3423 11.4773 11.4773 11.8516 11.8516 12.8468 12.8468 12.9180 12.9180 k =-0.0652 0.1780 0.1895 ( 4096 PWs) bands (ev): -52.9774 -52.9774 -52.8587 -52.8587 -27.4332 -27.4332 -27.2426 -27.2426 -26.6661 -26.6661 -26.5462 -26.5462 -26.4370 -26.4370 -26.2402 -26.2402 0.7984 0.7984 2.0740 2.0740 6.0781 6.0781 8.3180 8.3180 8.6449 8.6449 8.9592 8.9592 9.1458 9.1458 9.3606 9.3606 9.6254 9.6254 9.7199 9.7199 10.2447 10.2447 10.4324 10.4324 11.4050 11.4050 11.4228 11.4228 11.8548 11.8548 12.8706 12.8706 12.8863 12.8863 k =-0.0593 0.1618 0.1723 ( 4092 PWs) bands (ev): -52.9783 -52.9783 -52.8578 -52.8578 -27.4350 -27.4350 -27.2416 -27.2416 -26.6688 -26.6688 -26.5463 -26.5463 -26.4357 -26.4357 -26.2369 -26.2369 0.7679 0.7679 2.0541 2.0541 6.0503 6.0503 8.3175 8.3175 8.6954 8.6954 8.9761 8.9761 9.1390 9.1390 9.4489 9.4489 9.6202 9.6202 9.6888 9.6888 10.2414 10.2414 10.4792 10.4792 11.3525 11.3525 11.4814 11.4814 11.8598 11.8598 12.8433 12.8433 12.9007 12.9007 k =-0.0534 0.1456 0.1551 ( 4084 PWs) bands (ev): -52.9791 -52.9791 -52.8570 -52.8570 -27.4367 -27.4367 -27.2407 -27.2407 -26.6712 -26.6712 -26.5463 -26.5463 -26.4346 -26.4346 -26.2338 -26.2338 0.7402 0.7402 2.0359 2.0359 6.0247 6.0247 8.3140 8.3140 8.7422 8.7422 8.9924 8.9924 9.1327 9.1327 9.5404 9.5404 9.6144 9.6144 9.6580 9.6580 10.2382 10.2382 10.5265 10.5265 11.2890 11.2890 11.5478 11.5478 11.8663 11.8663 12.8013 12.8013 12.9262 12.9262 k =-0.0474 0.1294 0.1378 ( 4084 PWs) bands (ev): -52.9799 -52.9799 -52.8563 -52.8563 -27.4382 -27.4382 -27.2400 -27.2400 -26.6734 -26.6734 -26.5464 -26.5464 -26.4336 -26.4336 -26.2311 -26.2311 0.7153 0.7153 2.0194 2.0194 6.0015 6.0015 8.3088 8.3088 8.7851 8.7851 9.0078 9.0078 9.1269 9.1269 9.6078 9.6078 9.6264 9.6264 9.6355 9.6355 10.2351 10.2351 10.5733 10.5733 11.2245 11.2245 11.6116 11.6116 11.8738 11.8738 12.7576 12.7576 12.9514 12.9514 k =-0.0415 0.1133 0.1206 ( 4078 PWs) bands (ev): -52.9806 -52.9806 -52.8556 -52.8556 -27.4395 -27.4395 -27.2393 -27.2393 -26.6754 -26.6754 -26.5464 -26.5464 -26.4327 -26.4327 -26.2287 -26.2287 0.6932 0.6932 2.0047 2.0047 5.9807 5.9807 8.3027 8.3027 8.8240 8.8240 9.0222 9.0222 9.1220 9.1220 9.5980 9.5980 9.6025 9.6025 9.7271 9.7271 10.2323 10.2323 10.6181 10.6181 11.1596 11.1596 11.6712 11.6712 11.8821 11.8821 12.7138 12.7138 12.9758 12.9758 k =-0.0356 0.0971 0.1034 ( 4076 PWs) bands (ev): -52.9811 -52.9811 -52.8550 -52.8550 -27.4407 -27.4407 -27.2387 -27.2387 -26.6771 -26.6771 -26.5464 -26.5464 -26.4318 -26.4318 -26.2265 -26.2265 0.6740 0.6740 1.9919 1.9919 5.9624 5.9624 8.2964 8.2964 8.8586 8.8586 9.0354 9.0354 9.1182 9.1182 9.5704 9.5704 9.5968 9.5968 9.8186 9.8186 10.2297 10.2297 10.6598 10.6598 11.0950 11.0950 11.7252 11.7252 11.8910 11.8910 12.6716 12.6716 12.9990 12.9990 k =-0.0296 0.0809 0.0862 ( 4072 PWs) bands (ev): -52.9816 -52.9816 -52.8546 -52.8546 -27.4417 -27.4417 -27.2382 -27.2382 -26.6785 -26.6785 -26.5464 -26.5464 -26.4311 -26.4311 -26.2247 -26.2247 0.6576 0.6576 1.9810 1.9810 5.9469 5.9469 8.2904 8.2904 8.8886 8.8886 9.0468 9.0468 9.1158 9.1158 9.5445 9.5445 9.5918 9.5918 9.9068 9.9068 10.2274 10.2274 10.6965 10.6965 11.0322 11.0322 11.7721 11.7721 11.9004 11.9004 12.6325 12.6325 13.0199 13.0199 k =-0.0237 0.0647 0.0689 ( 4072 PWs) bands (ev): -52.9820 -52.9820 -52.8541 -52.8541 -27.4425 -27.4425 -27.2378 -27.2378 -26.6797 -26.6797 -26.5464 -26.5464 -26.4306 -26.4306 -26.2233 -26.2233 0.6442 0.6442 1.9721 1.9721 5.9340 5.9340 8.2851 8.2851 8.9136 8.9136 9.0562 9.0562 9.1153 9.1153 9.5212 9.5212 9.5876 9.5876 9.9894 9.9894 10.2256 10.2256 10.7262 10.7262 10.9738 10.9738 11.8103 11.8103 11.9106 11.9106 12.5979 12.5979 13.0375 13.0375 k =-0.0178 0.0485 0.0517 ( 4068 PWs) bands (ev): -52.9824 -52.9824 -52.8538 -52.8538 -27.4431 -27.4431 -27.2375 -27.2375 -26.6806 -26.6806 -26.5464 -26.5464 -26.4301 -26.4301 -26.2221 -26.2221 0.6338 0.6338 1.9651 1.9651 5.9240 5.9240 8.2807 8.2807 8.9333 8.9333 9.0629 9.0629 9.1166 9.1166 9.5014 9.5014 9.5842 9.5842 10.0634 10.0634 10.2242 10.2242 10.7457 10.7457 10.9242 10.9242 11.8386 11.8386 11.9213 11.9213 12.5693 12.5693 13.0507 13.0507 k =-0.0119 0.0324 0.0345 ( 4064 PWs) bands (ev): -52.9826 -52.9826 -52.8536 -52.8536 -27.4436 -27.4436 -27.2372 -27.2372 -26.6813 -26.6813 -26.5464 -26.5464 -26.4298 -26.4298 -26.2213 -26.2213 0.6263 0.6263 1.9601 1.9601 5.9168 5.9168 8.2775 8.2775 8.9475 8.9475 9.0670 9.0670 9.1191 9.1191 9.4861 9.4861 9.5817 9.5817 10.1240 10.1240 10.2234 10.2234 10.7516 10.7516 10.8901 10.8901 11.8568 11.8568 11.9317 11.9317 12.5478 12.5478 13.0592 13.0592 k =-0.0059 0.0162 0.0172 ( 4063 PWs) bands (ev): -52.9827 -52.9827 -52.8535 -52.8535 -27.4438 -27.4438 -27.2371 -27.2371 -26.6817 -26.6817 -26.5465 -26.5465 -26.4296 -26.4296 -26.2208 -26.2208 0.6218 0.6218 1.9570 1.9570 5.9124 5.9124 8.2755 8.2755 8.9560 8.9560 9.0691 9.0691 9.1216 9.1216 9.4764 9.4764 9.5802 9.5802 10.1647 10.1647 10.2233 10.2233 10.7462 10.7462 10.8742 10.8742 11.8666 11.8666 11.9395 11.9395 12.5346 12.5346 13.0637 13.0637 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6203 0.6203 1.9560 1.9560 5.9110 5.9110 8.2748 8.2748 8.9588 8.9588 9.0697 9.0697 9.1226 9.1226 9.4730 9.4730 9.5797 9.5797 10.1791 10.1791 10.2235 10.2235 10.7419 10.7419 10.8704 10.8704 11.8696 11.8696 11.9424 11.9424 12.5301 12.5301 13.0650 13.0650 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6203 0.6203 1.9560 1.9560 5.9110 5.9110 8.2748 8.2748 8.9588 8.9588 9.0697 9.0697 9.1226 9.1226 9.4730 9.4730 9.5797 9.5797 10.1791 10.1791 10.2235 10.2235 10.7419 10.7419 10.8704 10.8704 11.8696 11.8696 11.9424 11.9424 12.5301 12.5301 13.0650 13.0650 k = 0.0227 0.0083-0.0000 ( 4063 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6216 0.6216 1.9537 1.9537 5.9130 5.9130 8.2723 8.2723 8.9614 8.9614 9.0689 9.0689 9.1218 9.1218 9.4695 9.4695 9.5797 9.5797 10.1845 10.1845 10.2230 10.2230 10.7440 10.7440 10.8723 10.8723 11.8708 11.8708 11.9437 11.9437 12.5296 12.5296 13.0631 13.0631 k = 0.0455 0.0167-0.0000 ( 4063 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6255 0.6255 1.9468 1.9468 5.9190 5.9190 8.2650 8.2650 8.9687 8.9687 9.0667 9.0667 9.1196 9.1196 9.4593 9.4593 9.5799 9.5799 10.2002 10.2002 10.2215 10.2215 10.7501 10.7501 10.8781 10.8781 11.8744 11.8744 11.9475 11.9475 12.5283 12.5283 13.0574 13.0574 k = 0.0682 0.0250-0.0000 ( 4059 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6318 0.6318 1.9354 1.9354 5.9289 5.9289 8.2537 8.2537 8.9798 8.9798 9.0631 9.0631 9.1160 9.1160 9.4434 9.4434 9.5801 9.5801 10.2194 10.2194 10.2254 10.2254 10.7602 10.7602 10.8875 10.8875 11.8804 11.8804 11.9540 11.9540 12.5260 12.5260 13.0479 13.0479 k = 0.0909 0.0333-0.0000 ( 4063 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6408 0.6408 1.9197 1.9197 5.9423 5.9423 8.2396 8.2396 8.9930 8.9930 9.0585 9.0585 9.1110 9.1110 9.4230 9.4230 9.5804 9.5804 10.2167 10.2167 10.2588 10.2588 10.7740 10.7740 10.9005 10.9005 11.8888 11.8888 11.9630 11.9630 12.5230 12.5230 13.0349 13.0349 k = 0.1136 0.0416-0.0000 ( 4067 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6522 0.6522 1.8998 1.8998 5.9590 5.9590 8.2239 8.2239 9.0063 9.0063 9.0533 9.0533 9.1049 9.1049 9.3993 9.3993 9.5808 9.5808 10.2141 10.2141 10.2988 10.2988 10.7913 10.7913 10.9168 10.9168 11.8996 11.8996 11.9747 11.9747 12.5193 12.5193 13.0183 13.0183 k = 0.1364 0.0500-0.0000 ( 4079 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.6661 0.6661 1.8760 1.8760 5.9785 5.9785 8.2079 8.2079 9.0167 9.0167 9.0490 9.0490 9.0978 9.0978 9.3737 9.3737 9.5813 9.5813 10.2120 10.2120 10.3442 10.3442 10.8117 10.8117 10.9360 10.9360 11.9127 11.9127 11.9888 11.9888 12.5149 12.5149 12.9985 12.9985 k = 0.1591 0.0583-0.0000 ( 4075 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4439 -27.4439 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2206 -26.2206 0.6824 0.6824 1.8486 1.8486 6.0004 6.0004 8.1928 8.1928 9.0203 9.0203 9.0483 9.0483 9.0898 9.0898 9.3469 9.3469 9.5818 9.5818 10.2109 10.2109 10.3939 10.3939 10.8348 10.8348 10.9578 10.9578 11.9282 11.9282 12.0056 12.0056 12.5100 12.5100 12.9756 12.9756 k = 0.1818 0.0666-0.0000 ( 4075 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4440 -27.4440 -27.2370 -27.2370 -26.6818 -26.6818 -26.5465 -26.5465 -26.4295 -26.4295 -26.2206 -26.2206 0.7012 0.7012 1.8178 1.8178 6.0242 6.0242 8.1797 8.1797 9.0162 9.0162 9.0505 9.0505 9.0813 9.0813 9.3199 9.3199 9.5824 9.5824 10.2115 10.2115 10.4469 10.4469 10.8603 10.8603 10.9817 10.9817 11.9460 11.9460 12.0249 12.0249 12.5046 12.5046 12.9500 12.9500 k = 0.2045 0.0750-0.0000 ( 4075 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4440 -27.4440 -27.2370 -27.2370 -26.6818 -26.6818 -26.5465 -26.5465 -26.4295 -26.4295 -26.2206 -26.2206 0.7222 0.7222 1.7841 1.7841 6.0492 6.0492 8.1693 8.1693 9.0084 9.0084 9.0509 9.0509 9.0723 9.0723 9.2933 9.2933 9.5830 9.5830 10.2140 10.2140 10.5023 10.5023 10.8875 10.8875 11.0073 11.0073 11.9661 11.9661 12.0467 12.0467 12.4990 12.4990 12.9217 12.9217 k = 0.2273 0.0833-0.0000 ( 4083 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2370 -27.2370 -26.6818 -26.6818 -26.5465 -26.5465 -26.4295 -26.4295 -26.2206 -26.2206 0.7454 0.7454 1.7478 1.7478 6.0749 6.0749 8.1625 8.1625 8.9992 8.9992 9.0465 9.0465 9.0631 9.0631 9.2674 9.2674 9.5836 9.5836 10.2189 10.2189 10.5592 10.5592 10.9161 10.9161 11.0341 11.0341 11.9885 11.9885 12.0710 12.0710 12.4932 12.4932 12.8912 12.8912 k = 0.2500 0.0916-0.0000 ( 4083 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4440 -27.4440 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2206 -26.2206 0.7709 0.7709 1.7092 1.7092 6.1006 6.1006 8.1597 8.1597 8.9892 8.9892 9.0364 9.0364 9.0539 9.0539 9.2428 9.2428 9.5843 9.5843 10.2261 10.2261 10.6169 10.6169 10.9455 10.9455 11.0615 11.0615 12.0132 12.0132 12.0977 12.0977 12.4874 12.4874 12.8586 12.8586 k = 0.2727 0.0999-0.0000 ( 4083 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4440 -27.4440 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2206 -26.2206 0.7983 0.7983 1.6688 1.6688 6.1259 6.1259 8.1614 8.1614 8.9784 8.9784 9.0207 9.0207 9.0449 9.0449 9.2196 9.2196 9.5850 9.5850 10.2356 10.2356 10.6748 10.6748 10.9751 10.9751 11.0891 11.0891 12.0400 12.0400 12.1268 12.1268 12.4816 12.4816 12.8242 12.8242 k = 0.2955 0.1083-0.0000 ( 4075 PWs) bands (ev): -52.9828 -52.9828 -52.8534 -52.8534 -27.4440 -27.4440 -27.2371 -27.2371 -26.6818 -26.6818 -26.5465 -26.5465 -26.4296 -26.4296 -26.2206 -26.2206 0.8277 0.8277 1.6268 1.6268 6.1502 6.1502 8.1679 8.1679 8.9660 8.9660 9.0006 9.0006 9.0362 9.0362 9.1981 9.1981 9.5856 9.5856 10.2469 10.2469 10.7318 10.7318 11.0042 11.0042 11.1164 11.1164 12.0688 12.0688 12.1581 12.1581 12.4761 12.4761 12.7882 12.7882 k = 0.3182 0.1166-0.0000 ( 4099 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2371 -27.2371 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2206 -26.2206 0.8589 0.8589 1.5838 1.5838 6.1730 6.1730 8.1790 8.1790 8.9486 8.9486 8.9805 8.9805 9.0280 9.0280 9.1786 9.1786 9.5862 9.5862 10.2595 10.2595 10.7873 10.7873 11.0324 11.0324 11.1426 11.1426 12.0996 12.0996 12.1915 12.1915 12.4709 12.4709 12.7510 12.7510 k = 0.3409 0.1249-0.0000 ( 4095 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2370 -27.2370 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2206 -26.2206 0.8915 0.8915 1.5401 1.5401 6.1939 6.1939 8.1948 8.1948 8.9218 8.9218 8.9659 8.9659 9.0204 9.0204 9.1611 9.1611 9.5868 9.5868 10.2727 10.2727 10.8403 10.8403 11.0591 11.0591 11.1674 11.1674 12.1323 12.1323 12.2268 12.2268 12.4661 12.4661 12.7128 12.7128 k = 0.3636 0.1333-0.0000 ( 4095 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2370 -27.2370 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2206 -26.2206 0.9255 0.9255 1.4962 1.4962 6.2125 6.2125 8.2146 8.2146 8.8877 8.8877 8.9559 8.9559 9.0136 9.0136 9.1457 9.1457 9.5873 9.5873 10.2859 10.2859 10.8898 10.8898 11.0836 11.0836 11.1901 11.1901 12.1665 12.1665 12.2638 12.2638 12.4619 12.4619 12.6738 12.6738 k = 0.3864 0.1416-0.0000 ( 4103 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2371 -27.2371 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.9602 0.9602 1.4527 1.4527 6.2286 6.2286 8.2376 8.2376 8.8502 8.8502 8.9484 8.9484 9.0076 9.0076 9.1325 9.1325 9.5878 9.5878 10.2983 10.2983 10.9346 10.9346 11.1055 11.1055 11.2103 11.2103 12.2019 12.2019 12.3022 12.3022 12.4583 12.4583 12.6343 12.6343 k = 0.4091 0.1499-0.0000 ( 4098 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2370 -27.2370 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 0.9952 0.9952 1.4104 1.4104 6.2419 6.2419 8.2626 8.2626 8.8122 8.8122 8.9424 8.9424 9.0027 9.0027 9.1217 9.1217 9.5882 9.5882 10.3094 10.3094 10.9737 10.9737 11.1241 11.1241 11.2276 11.2276 12.2382 12.2382 12.3416 12.3416 12.4557 12.4557 12.5949 12.5949 k = 0.4318 0.1582-0.0000 ( 4098 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2370 -27.2370 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 1.0291 1.0291 1.3707 1.3707 6.2525 6.2525 8.2876 8.2876 8.7764 8.7764 8.9379 8.9379 8.9987 8.9987 9.1132 9.1132 9.5885 9.5885 10.3186 10.3186 11.0057 11.0057 11.1391 11.1391 11.2414 11.2414 12.2746 12.2746 12.3811 12.3811 12.4546 12.4546 12.5562 12.5562 k = 0.4545 0.1666-0.0000 ( 4098 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2370 -27.2370 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 1.0597 1.0597 1.3358 1.3358 6.2600 6.2600 8.3098 8.3098 8.7461 8.7461 8.9347 8.9347 8.9959 8.9959 9.1071 9.1071 9.5887 9.5887 10.3255 10.3255 11.0295 11.0295 11.1501 11.1501 11.2516 11.2516 12.3092 12.3092 12.4177 12.4177 12.4575 12.4575 12.5198 12.5198 k = 0.4773 0.1749-0.0000 ( 4106 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2371 -27.2371 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 1.0828 1.0828 1.3101 1.3101 6.2646 6.2646 8.3256 8.3256 8.7254 8.7254 8.9327 8.9327 8.9941 8.9941 9.1034 9.1034 9.5889 9.5889 10.3298 10.3298 11.0442 11.0442 11.1568 11.1568 11.2578 11.2578 12.3381 12.3381 12.4377 12.4377 12.4777 12.4777 12.4900 12.4900 k = 0.5000 0.1832-0.0000 ( 4110 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2371 -27.2371 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 1.0918 1.0918 1.3003 1.3003 6.2661 6.2661 8.3313 8.3313 8.7180 8.7180 8.9321 8.9321 8.9935 8.9935 9.1022 9.1022 9.5889 9.5889 10.3312 10.3312 11.0492 11.0492 11.1591 11.1591 11.2599 11.2599 12.3508 12.3508 12.4408 12.4408 12.4769 12.4769 12.5092 12.5092 k = 0.5000 0.1832-0.0000 ( 4110 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2371 -27.2371 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 1.0918 1.0918 1.3003 1.3003 6.2661 6.2661 8.3313 8.3313 8.7180 8.7180 8.9321 8.9321 8.9935 8.9935 9.1022 9.1022 9.5889 9.5889 10.3312 10.3312 11.0492 11.0492 11.1591 11.1591 11.2599 11.2599 12.3508 12.3508 12.4408 12.4408 12.4769 12.4769 12.5092 12.5092 k = 0.4942 0.1991 0.0169 ( 4104 PWs) bands (ev): -52.9827 -52.9827 -52.8535 -52.8535 -27.4439 -27.4439 -27.2371 -27.2371 -26.6817 -26.6817 -26.5465 -26.5465 -26.4296 -26.4296 -26.2208 -26.2208 1.0931 1.0931 1.3016 1.3016 6.2676 6.2676 8.3319 8.3319 8.7024 8.7024 8.9389 8.9389 9.0001 9.0001 9.1003 9.1003 9.5895 9.5895 10.3312 10.3312 11.0501 11.0501 11.1579 11.1579 11.2586 11.2586 12.3439 12.3439 12.4249 12.4249 12.4804 12.4804 12.5074 12.5074 k = 0.4883 0.2150 0.0339 ( 4094 PWs) bands (ev): -52.9826 -52.9826 -52.8536 -52.8536 -27.4436 -27.4436 -27.2372 -27.2372 -26.6814 -26.6814 -26.5465 -26.5465 -26.4298 -26.4298 -26.2213 -26.2213 1.0968 1.0968 1.3056 1.3056 6.2721 6.2721 8.3336 8.3336 8.6630 8.6630 8.9492 8.9492 9.0225 9.0225 9.0944 9.0944 9.5911 9.5911 10.3310 10.3310 11.0529 11.0529 11.1542 11.1542 11.2549 11.2549 12.3232 12.3232 12.3922 12.3922 12.4762 12.4762 12.4861 12.4861 k = 0.4825 0.2310 0.0508 ( 4082 PWs) bands (ev): -52.9824 -52.9824 -52.8538 -52.8538 -27.4432 -27.4432 -27.2374 -27.2374 -26.6807 -26.6807 -26.5465 -26.5465 -26.4301 -26.4301 -26.2221 -26.2221 1.1029 1.1029 1.3122 1.3122 6.2795 6.2795 8.3362 8.3362 8.6108 8.6108 8.9543 8.9543 9.0585 9.0585 9.0847 9.0847 9.5938 9.5938 10.3307 10.3307 11.0574 11.0574 11.1481 11.1481 11.2488 11.2488 12.2891 12.2891 12.3522 12.3522 12.4474 12.4474 12.4705 12.4705 k = 0.4767 0.2469 0.0678 ( 4086 PWs) bands (ev): -52.9821 -52.9821 -52.8541 -52.8541 -27.4426 -27.4426 -27.2377 -27.2377 -26.6798 -26.6798 -26.5465 -26.5465 -26.4305 -26.4305 -26.2232 -26.2232 1.1115 1.1115 1.3215 1.3215 6.2900 6.2900 8.3397 8.3397 8.5517 8.5517 8.9558 8.9558 9.0710 9.0710 9.1008 9.1008 9.5975 9.5975 10.3304 10.3304 11.0633 11.0633 11.1395 11.1395 11.2405 11.2405 12.2429 12.2429 12.3075 12.3075 12.4093 12.4093 12.4558 12.4558 k = 0.4708 0.2628 0.0847 ( 4080 PWs) bands (ev): -52.9817 -52.9817 -52.8545 -52.8545 -27.4418 -27.4418 -27.2381 -27.2381 -26.6787 -26.6787 -26.5465 -26.5465 -26.4311 -26.4311 -26.2246 -26.2246 1.1226 1.1226 1.3334 1.3334 6.3034 6.3034 8.3434 8.3434 8.4885 8.4885 8.9555 8.9555 9.0536 9.0536 9.1445 9.1445 9.6022 9.6022 10.3301 10.3301 11.0703 11.0703 11.1285 11.1285 11.2301 11.2301 12.1870 12.1870 12.2592 12.2592 12.3711 12.3711 12.4383 12.4383 k = 0.4650 0.2787 0.1017 ( 4084 PWs) bands (ev): -52.9812 -52.9812 -52.8550 -52.8550 -27.4408 -27.4408 -27.2386 -27.2386 -26.6773 -26.6773 -26.5464 -26.5464 -26.4318 -26.4318 -26.2263 -26.2263 1.1360 1.1360 1.3479 1.3479 6.3196 6.3196 8.3468 8.3468 8.4228 8.4228 8.9542 8.9542 9.0328 9.0328 9.1878 9.1878 9.6078 9.6078 10.3297 10.3297 11.0780 11.0780 11.1153 11.1153 11.2173 11.2173 12.1253 12.1253 12.2082 12.2082 12.3346 12.3346 12.4187 12.4187 k = 0.4592 0.2946 0.1186 ( 4082 PWs) bands (ev): -52.9806 -52.9806 -52.8555 -52.8555 -27.4397 -27.4397 -27.2392 -27.2392 -26.6756 -26.6756 -26.5464 -26.5464 -26.4325 -26.4325 -26.2284 -26.2284 1.1518 1.1518 1.3650 1.3650 6.3388 6.3388 8.3433 8.3433 8.3612 8.3612 8.9523 8.9523 9.0088 9.0088 9.2296 9.2296 9.6143 9.6143 10.3294 10.3294 11.0859 11.0859 11.1002 11.1002 11.2020 11.2020 12.0618 12.0618 12.1553 12.1553 12.3000 12.3000 12.3979 12.3979 k = 0.4534 0.3105 0.1356 ( 4084 PWs) bands (ev): -52.9800 -52.9800 -52.8562 -52.8562 -27.4384 -27.4384 -27.2398 -27.2398 -26.6737 -26.6737 -26.5464 -26.5464 -26.4334 -26.4334 -26.2307 -26.2307 1.1700 1.1700 1.3845 1.3845 6.3608 6.3608 8.2826 8.2826 8.3536 8.3536 8.9496 8.9496 8.9827 8.9827 9.2693 9.2693 9.6215 9.6215 10.3290 10.3290 11.0835 11.0835 11.0933 11.0933 11.1836 11.1836 11.9999 11.9999 12.1014 12.1014 12.2674 12.2674 12.3767 12.3767 k = 0.4475 0.3264 0.1525 ( 4088 PWs) bands (ev): -52.9792 -52.9792 -52.8569 -52.8569 -27.4370 -27.4370 -27.2406 -27.2406 -26.6716 -26.6716 -26.5464 -26.5464 -26.4344 -26.4344 -26.2334 -26.2334 1.1904 1.1904 1.4066 1.4066 6.3855 6.3855 8.2123 8.2123 8.3515 8.3515 8.9457 8.9457 8.9561 8.9561 9.3065 9.3065 9.6294 9.6294 10.3286 10.3286 11.0655 11.0655 11.0995 11.0995 11.1623 11.1623 11.9422 11.9422 12.0471 12.0471 12.2369 12.2369 12.3558 12.3558 k = 0.4417 0.3423 0.1695 ( 4090 PWs) bands (ev): -52.9784 -52.9784 -52.8577 -52.8577 -27.4353 -27.4353 -27.2414 -27.2414 -26.6692 -26.6692 -26.5463 -26.5463 -26.4355 -26.4355 -26.2363 -26.2363 1.2131 1.2131 1.4311 1.4311 6.4129 6.4129 8.1407 8.1407 8.3450 8.3450 8.9270 8.9270 8.9441 8.9441 9.3412 9.3412 9.6377 9.6377 10.3281 10.3281 11.0455 11.0455 11.1034 11.1034 11.1388 11.1388 11.8907 11.8907 11.9932 11.9932 12.2086 12.2086 12.3358 12.3358 k = 0.4359 0.3582 0.1864 ( 4084 PWs) bands (ev): -52.9775 -52.9775 -52.8586 -52.8586 -27.4336 -27.4336 -27.2424 -27.2424 -26.6666 -26.6666 -26.5463 -26.5463 -26.4367 -26.4367 -26.2396 -26.2396 1.2380 1.2380 1.4580 1.4580 6.4430 6.4430 8.0684 8.0684 8.3320 8.3320 8.9028 8.9028 8.9397 8.9397 9.3730 9.3730 9.6464 9.6464 10.3272 10.3272 11.0225 11.0225 11.1015 11.1015 11.1175 11.1175 11.8464 11.8464 11.9402 11.9402 12.1827 12.1827 12.3172 12.3172 k = 0.4300 0.3742 0.2033 ( 4092 PWs) bands (ev): -52.9766 -52.9766 -52.8595 -52.8595 -27.4316 -27.4316 -27.2434 -27.2434 -26.6638 -26.6638 -26.5462 -26.5462 -26.4380 -26.4380 -26.2431 -26.2431 1.2651 1.2651 1.4872 1.4872 6.4755 6.4755 7.9956 7.9956 8.3101 8.3101 8.8829 8.8829 8.9351 8.9351 9.4018 9.4018 9.6551 9.6551 10.3258 10.3258 10.9943 10.9943 11.0853 11.0853 11.1095 11.1095 11.8098 11.8098 11.8888 11.8888 12.1597 12.1597 12.3004 12.3004 k = 0.4242 0.3901 0.2203 ( 4096 PWs) bands (ev): -52.9755 -52.9755 -52.8606 -52.8606 -27.4295 -27.4295 -27.2445 -27.2445 -26.6607 -26.6607 -26.5461 -26.5461 -26.4394 -26.4394 -26.2469 -26.2469 1.2942 1.2942 1.5186 1.5186 6.5105 6.5105 7.9226 7.9226 8.2778 8.2778 8.8696 8.8696 8.9301 8.9301 9.4277 9.4277 9.6637 9.6637 10.3236 10.3236 10.9593 10.9593 11.0678 11.0678 11.1040 11.1040 11.7804 11.7804 11.8396 11.8396 12.1397 12.1397 12.2858 12.2858 k = 0.4184 0.4060 0.2372 ( 4106 PWs) bands (ev): -52.9744 -52.9744 -52.8617 -52.8617 -27.4273 -27.4273 -27.2458 -27.2458 -26.6574 -26.6574 -26.5460 -26.5460 -26.4408 -26.4408 -26.2509 -26.2509 1.3253 1.3253 1.5522 1.5522 6.5477 6.5477 7.8495 7.8495 8.2341 8.2341 8.8640 8.8640 8.9248 8.9248 9.4503 9.4503 9.6717 9.6717 10.3202 10.3202 10.9179 10.9179 11.0553 11.0553 11.0953 11.0953 11.7562 11.7562 11.7943 11.7943 12.1230 12.1230 12.2734 12.2734 k = 0.4125 0.4219 0.2542 ( 4098 PWs) bands (ev): -52.9731 -52.9731 -52.8629 -52.8629 -27.4249 -27.4249 -27.2471 -27.2471 -26.6539 -26.6539 -26.5459 -26.5459 -26.4423 -26.4423 -26.2552 -26.2552 1.3583 1.3583 1.5878 1.5878 6.5869 6.5869 7.7766 7.7766 8.1794 8.1794 8.8661 8.8661 8.9191 8.9191 9.4698 9.4698 9.6788 9.6788 10.3153 10.3153 10.8726 10.8726 11.0482 11.0482 11.0825 11.0825 11.7298 11.7298 11.7594 11.7594 12.1096 12.1096 12.2633 12.2633 k = 0.4067 0.4378 0.2711 ( 4104 PWs) bands (ev): -52.9719 -52.9719 -52.8641 -52.8641 -27.4224 -27.4224 -27.2485 -27.2485 -26.6502 -26.6502 -26.5458 -26.5458 -26.4438 -26.4438 -26.2598 -26.2598 1.3931 1.3931 1.6255 1.6255 6.6281 6.6281 7.7040 7.7040 8.1147 8.1147 8.8750 8.8750 8.9135 8.9135 9.4860 9.4860 9.6845 9.6845 10.3087 10.3087 10.8258 10.8258 11.0457 11.0457 11.0655 11.0655 11.6932 11.6932 11.7421 11.7421 12.0996 12.0996 12.2554 12.2554 k = 0.4009 0.4537 0.2881 ( 4112 PWs) bands (ev): -52.9705 -52.9705 -52.8655 -52.8655 -27.4197 -27.4197 -27.2500 -27.2500 -26.6463 -26.6463 -26.5457 -26.5457 -26.4454 -26.4454 -26.2646 -26.2646 1.4296 1.4296 1.6650 1.6650 6.6708 6.6708 7.6318 7.6318 8.0418 8.0418 8.8881 8.8881 8.9095 8.9095 9.4988 9.4988 9.6883 9.6883 10.3001 10.3001 10.7797 10.7797 11.0427 11.0427 11.0494 11.0494 11.6541 11.6541 11.7337 11.7337 12.0928 12.0928 12.2493 12.2493 k = 0.3951 0.4696 0.3050 ( 4108 PWs) bands (ev): -52.9691 -52.9691 -52.8669 -52.8669 -27.4169 -27.4169 -27.2517 -27.2517 -26.6422 -26.6422 -26.5456 -26.5456 -26.4470 -26.4470 -26.2697 -26.2697 1.4678 1.4678 1.7063 1.7063 6.7147 6.7147 7.5603 7.5603 7.9623 7.9623 8.8933 8.8933 8.9180 8.9180 9.5083 9.5083 9.6896 9.6896 10.2894 10.2894 10.7360 10.7360 11.0184 11.0184 11.0547 11.0547 11.6165 11.6165 11.7293 11.7293 12.0891 12.0891 12.2446 12.2446 k = 0.3892 0.4855 0.3220 ( 4096 PWs) bands (ev): -52.9676 -52.9676 -52.8683 -52.8683 -27.4140 -27.4140 -27.2534 -27.2534 -26.6379 -26.6379 -26.5454 -26.5454 -26.4486 -26.4486 -26.2750 -26.2750 1.5074 1.5074 1.7493 1.7493 6.7593 6.7593 7.4895 7.4895 7.8783 7.8783 8.8882 8.8882 8.9406 8.9406 9.5143 9.5143 9.6879 9.6879 10.2765 10.2765 10.6963 10.6963 10.9899 10.9899 11.0649 11.0649 11.5812 11.5812 11.7272 11.7272 12.0881 12.0881 12.2410 12.2410 k = 0.3834 0.5014 0.3389 ( 4096 PWs) bands (ev): -52.9660 -52.9660 -52.8699 -52.8699 -27.4110 -27.4110 -27.2552 -27.2552 -26.6334 -26.6334 -26.5452 -26.5452 -26.4503 -26.4503 -26.2805 -26.2805 1.5483 1.5483 1.7937 1.7937 6.8037 6.8037 7.4197 7.4197 7.7915 7.7915 8.8811 8.8811 8.9680 8.9680 9.5168 9.5168 9.6826 9.6826 10.2616 10.2616 10.6619 10.6619 10.9583 10.9583 11.0790 11.0790 11.5483 11.5483 11.7264 11.7264 12.0894 12.0894 12.2380 12.2380 k = 0.3776 0.5173 0.3559 ( 4092 PWs) bands (ev): -52.9644 -52.9644 -52.8715 -52.8715 -27.4078 -27.4078 -27.2571 -27.2571 -26.6288 -26.6288 -26.5450 -26.5450 -26.4519 -26.4519 -26.2861 -26.2861 1.5905 1.5905 1.8396 1.8396 6.8468 6.8468 7.3510 7.3510 7.7043 7.7043 8.8735 8.8735 8.9982 8.9982 9.5159 9.5159 9.6733 9.6733 10.2449 10.2449 10.6339 10.6339 10.9244 10.9244 11.0966 11.0966 11.5180 11.5180 11.7262 11.7262 12.0924 12.0924 12.2340 12.2340 k = 0.3717 0.5333 0.3728 ( 4084 PWs) bands (ev): -52.9627 -52.9627 -52.8731 -52.8731 -27.4046 -27.4046 -27.2592 -27.2592 -26.6240 -26.6240 -26.5448 -26.5448 -26.4535 -26.4535 -26.2920 -26.2920 1.6336 1.6336 1.8866 1.8866 6.8866 6.8866 7.2836 7.2836 7.6193 7.6193 8.8657 8.8657 9.0301 9.0301 9.5114 9.5114 9.6597 9.6597 10.2267 10.2267 10.6129 10.6129 10.8889 10.8889 11.1173 11.1173 11.4902 11.4902 11.7258 11.7258 12.0966 12.0966 12.2155 12.2155 k = 0.3659 0.5492 0.3897 ( 4082 PWs) bands (ev): -52.9609 -52.9609 -52.8749 -52.8749 -27.4012 -27.4012 -27.2613 -27.2613 -26.6192 -26.6192 -26.5446 -26.5446 -26.4551 -26.4551 -26.2981 -26.2981 1.6775 1.6775 1.9347 1.9347 6.9198 6.9198 7.2176 7.2176 7.5407 7.5407 8.8578 8.8578 9.0631 9.0631 9.5036 9.5036 9.6417 9.6417 10.2075 10.2075 10.5992 10.5992 10.8523 10.8523 11.1409 11.1409 11.4648 11.4648 11.7246 11.7246 12.1012 12.1012 12.1856 12.1856 k = 0.3601 0.5651 0.4067 ( 4086 PWs) bands (ev): -52.9591 -52.9591 -52.8766 -52.8766 -27.3978 -27.3978 -27.2636 -27.2636 -26.6142 -26.6142 -26.5443 -26.5443 -26.4566 -26.4566 -26.3044 -26.3044 1.7221 1.7221 1.9837 1.9837 6.9409 6.9409 7.1531 7.1531 7.4745 7.4745 8.8499 8.8499 9.0967 9.0967 9.4923 9.4923 9.6198 9.6198 10.1877 10.1877 10.5930 10.5930 10.8153 10.8153 11.1670 11.1670 11.4417 11.4417 11.7220 11.7220 12.1057 12.1057 12.1548 12.1548 k = 0.3542 0.5810 0.4236 ( 4080 PWs) bands (ev): -52.9573 -52.9573 -52.8785 -52.8785 -27.3942 -27.3942 -27.2659 -27.2659 -26.6091 -26.6091 -26.5441 -26.5441 -26.4580 -26.4580 -26.3107 -26.3107 1.7670 1.7670 2.0333 2.0333 6.9422 6.9422 7.0904 7.0904 7.4291 7.4291 8.8421 8.8421 9.1301 9.1301 9.4778 9.4778 9.5942 9.5942 10.1678 10.1678 10.5938 10.5938 10.7783 10.7783 11.1952 11.1952 11.4206 11.4206 11.7175 11.7175 12.1093 12.1093 12.1240 12.1240 k = 0.3484 0.5969 0.4406 ( 4076 PWs) bands (ev): -52.9553 -52.9553 -52.8804 -52.8804 -27.3906 -27.3906 -27.2684 -27.2684 -26.6039 -26.6039 -26.5438 -26.5438 -26.4593 -26.4593 -26.3173 -26.3173 1.8121 1.8121 2.0834 2.0834 6.9175 6.9175 7.0297 7.0297 7.4107 7.4107 8.8347 8.8347 9.1628 9.1628 9.4601 9.4601 9.5658 9.5658 10.1486 10.1486 10.6013 10.6013 10.7418 10.7418 11.2251 11.2251 11.4015 11.4015 11.7107 11.7107 12.0935 12.0935 12.1116 12.1116 k = 0.3426 0.6128 0.4575 ( 4084 PWs) bands (ev): -52.9534 -52.9534 -52.8823 -52.8823 -27.3869 -27.3869 -27.2709 -27.2709 -26.5988 -26.5988 -26.5434 -26.5434 -26.4605 -26.4605 -26.3240 -26.3240 1.8571 1.8571 2.1337 2.1337 6.8678 6.8678 6.9715 6.9715 7.4188 7.4188 8.8277 8.8277 9.1941 9.1941 9.4394 9.4394 9.5352 9.5352 10.1304 10.1304 10.6148 10.6148 10.7063 10.7063 11.2560 11.2560 11.3844 11.3844 11.7013 11.7013 12.0639 12.0639 12.1118 12.1118 k = 0.3367 0.6287 0.4745 ( 4084 PWs) bands (ev): -52.9514 -52.9514 -52.8843 -52.8843 -27.3831 -27.3831 -27.2736 -27.2736 -26.5936 -26.5936 -26.5431 -26.5431 -26.4615 -26.4615 -26.3307 -26.3307 1.9015 1.9015 2.1841 2.1841 6.8006 6.8006 6.9162 6.9162 7.4459 7.4459 8.8211 8.8211 9.2234 9.2234 9.4161 9.4161 9.5031 9.5031 10.1141 10.1141 10.6330 10.6330 10.6724 10.6724 11.2866 11.2866 11.3700 11.3700 11.6890 11.6890 12.0354 12.0354 12.1099 12.1099 k = 0.3309 0.6446 0.4914 ( 4086 PWs) bands (ev): -52.9493 -52.9493 -52.8863 -52.8863 -27.3793 -27.3793 -27.2763 -27.2763 -26.5884 -26.5884 -26.5427 -26.5427 -26.4624 -26.4624 -26.3376 -26.3376 1.9453 1.9453 2.2341 2.2341 6.7236 6.7236 6.8637 6.8637 7.4848 7.4848 8.8152 8.8152 9.2500 9.2500 9.3903 9.3903 9.4702 9.4702 10.1003 10.1003 10.6360 10.6360 10.6599 10.6599 11.3112 11.3112 11.3634 11.3634 11.6735 11.6735 12.0085 12.0085 12.1055 12.1055 k = 0.3251 0.6605 0.5084 ( 4090 PWs) bands (ev): -52.9472 -52.9472 -52.8884 -52.8884 -27.3754 -27.3754 -27.2792 -27.2792 -26.5833 -26.5833 -26.5424 -26.5424 -26.4630 -26.4630 -26.3446 -26.3446 1.9879 1.9879 2.2836 2.2836 6.6424 6.6424 6.8143 6.8143 7.5302 7.5302 8.8101 8.8101 9.2732 9.2732 9.3625 9.3625 9.4372 9.4372 10.0895 10.0895 10.6057 10.6057 10.6861 10.6861 11.3151 11.3151 11.3786 11.3786 11.6549 11.6549 11.9835 11.9835 12.0986 12.0986 k = 0.3193 0.6765 0.5253 ( 4084 PWs) bands (ev): -52.9451 -52.9451 -52.8905 -52.8905 -27.3715 -27.3715 -27.2822 -27.2822 -26.5784 -26.5784 -26.5420 -26.5420 -26.4633 -26.4633 -26.3516 -26.3516 2.0290 2.0290 2.3322 2.3322 6.5604 6.5604 6.7681 6.7681 7.5790 7.5790 8.8058 8.8058 9.2919 9.2919 9.3336 9.3336 9.4045 9.4045 10.0823 10.0823 10.5758 10.5758 10.7170 10.7170 11.3036 11.3036 11.4097 11.4097 11.6333 11.6333 11.9611 11.9611 12.0892 12.0892 k = 0.3134 0.6924 0.5423 ( 4086 PWs) bands (ev): -52.9429 -52.9429 -52.8927 -52.8927 -27.3675 -27.3675 -27.2852 -27.2852 -26.5736 -26.5736 -26.5416 -26.5416 -26.4633 -26.4633 -26.3587 -26.3587 2.0681 2.0681 2.3797 2.3797 6.4797 6.4797 6.7255 6.7255 7.6290 7.6290 8.8024 8.8024 9.2953 9.2953 9.3145 9.3145 9.3726 9.3726 10.0791 10.0791 10.5474 10.5474 10.7508 10.7508 11.2875 11.2875 11.4454 11.4454 11.6090 11.6090 11.9415 11.9415 12.0777 12.0777 k = 0.3076 0.7083 0.5592 ( 4086 PWs) bands (ev): -52.9407 -52.9407 -52.8949 -52.8949 -27.3635 -27.3635 -27.2884 -27.2884 -26.5690 -26.5690 -26.5412 -26.5412 -26.4629 -26.4629 -26.3658 -26.3658 2.1049 2.1049 2.4258 2.4258 6.4018 6.4018 6.6867 6.6867 7.6789 7.6789 8.8002 8.8002 9.2670 9.2670 9.3212 9.3212 9.3425 9.3425 10.0799 10.0799 10.5205 10.5205 10.7869 10.7869 11.2691 11.2691 11.4826 11.4826 11.5824 11.5824 11.9252 11.9252 12.0645 12.0645 k = 0.3018 0.7242 0.5761 ( 4078 PWs) bands (ev): -52.9384 -52.9384 -52.8971 -52.8971 -27.3595 -27.3595 -27.2916 -27.2916 -26.5647 -26.5647 -26.5408 -26.5408 -26.4622 -26.4622 -26.3729 -26.3729 2.1389 2.1389 2.4701 2.4701 6.3279 6.3279 6.6521 6.6521 7.7273 7.7273 8.7991 8.7991 9.2347 9.2347 9.3099 9.3099 9.3309 9.3309 10.0848 10.0848 10.4951 10.4951 10.8246 10.8246 11.2486 11.2486 11.5202 11.5202 11.5547 11.5547 11.9126 11.9126 12.0499 12.0499 k = 0.2959 0.7401 0.5931 ( 4070 PWs) bands (ev): -52.9362 -52.9362 -52.8994 -52.8994 -27.3554 -27.3554 -27.2949 -27.2949 -26.5607 -26.5607 -26.5404 -26.5404 -26.4609 -26.4609 -26.3800 -26.3800 2.1697 2.1697 2.5122 2.5122 6.2590 6.2590 6.6220 6.6220 7.7732 7.7732 8.7992 8.7992 9.2018 9.2018 9.2825 9.2825 9.3336 9.3336 10.0933 10.0933 10.4712 10.4712 10.8630 10.8630 11.2260 11.2260 11.5227 11.5227 11.5617 11.5617 11.9037 11.9037 12.0348 12.0348 k = 0.2901 0.7560 0.6100 ( 4090 PWs) bands (ev): -52.9339 -52.9339 -52.9016 -52.9016 -27.3514 -27.3514 -27.2984 -27.2984 -26.5572 -26.5572 -26.5400 -26.5400 -26.4591 -26.4591 -26.3870 -26.3870 2.1966 2.1966 2.5520 2.5520 6.1958 6.1958 6.5967 6.5967 7.8158 7.8158 8.8007 8.8007 9.1688 9.1688 9.2564 9.2564 9.3341 9.3341 10.1048 10.1048 10.4487 10.4487 10.9010 10.9010 11.2014 11.2014 11.4941 11.4941 11.6004 11.6004 11.8989 11.8989 12.0197 12.0197 k = 0.2843 0.7719 0.6270 ( 4094 PWs) bands (ev): -52.9316 -52.9316 -52.9039 -52.9039 -27.3474 -27.3474 -27.3018 -27.3018 -26.5541 -26.5541 -26.5396 -26.5396 -26.4568 -26.4568 -26.3939 -26.3939 2.2194 2.2194 2.5890 2.5890 6.1391 6.1391 6.5765 6.5765 7.8542 7.8542 8.8035 8.8035 9.1360 9.1360 9.2322 9.2322 9.3325 9.3325 10.1187 10.1187 10.4275 10.4275 10.9371 10.9371 11.1747 11.1747 11.4668 11.4668 11.6400 11.6400 11.8979 11.8979 12.0054 12.0054 k = 0.2784 0.7878 0.6439 ( 4098 PWs) bands (ev): -52.9292 -52.9292 -52.9063 -52.9063 -27.3433 -27.3433 -27.3054 -27.3054 -26.5515 -26.5515 -26.5392 -26.5392 -26.4539 -26.4539 -26.4008 -26.4008 2.2374 2.2374 2.6230 2.6230 6.0895 6.0895 6.5616 6.5616 7.8875 7.8875 8.8078 8.8078 9.1037 9.1037 9.2102 9.2102 9.3297 9.3297 10.1341 10.1341 10.4075 10.4075 10.9693 10.9693 11.1462 11.1462 11.4436 11.4436 11.6798 11.6798 11.9008 11.9008 11.9926 11.9926 k = 0.2726 0.8037 0.6609 ( 4094 PWs) bands (ev): -52.9269 -52.9269 -52.9086 -52.9086 -27.3393 -27.3393 -27.3091 -27.3091 -26.5494 -26.5494 -26.5389 -26.5389 -26.4505 -26.4505 -26.4075 -26.4075 2.2505 2.2505 2.6537 2.6537 6.0474 6.0474 6.5523 6.5523 7.9150 7.9150 8.8135 8.8135 9.0720 9.0720 9.1905 9.1905 9.3263 9.3263 10.1504 10.1504 10.3887 10.3887 10.9944 10.9944 11.1160 11.1160 11.4277 11.4277 11.7194 11.7194 11.9073 11.9073 11.9820 11.9820 k = 0.2668 0.8197 0.6778 ( 4094 PWs) bands (ev): -52.9245 -52.9245 -52.9109 -52.9109 -27.3353 -27.3353 -27.3128 -27.3128 -26.5478 -26.5478 -26.5386 -26.5386 -26.4465 -26.4465 -26.4139 -26.4139 2.2581 2.2581 2.6807 2.6807 6.0133 6.0133 6.5488 6.5488 7.9361 7.9361 8.8207 8.8207 9.0411 9.0411 9.1734 9.1734 9.3231 9.3231 10.1667 10.1667 10.3709 10.3709 11.0090 11.0090 11.0845 11.0845 11.4228 11.4228 11.7586 11.7586 11.9172 11.9172 11.9745 11.9745 k = 0.2668 0.8197 0.6778 ( 4094 PWs) bands (ev): -52.9245 -52.9245 -52.9109 -52.9109 -27.3353 -27.3353 -27.3128 -27.3128 -26.5478 -26.5478 -26.5386 -26.5386 -26.4465 -26.4465 -26.4139 -26.4139 2.2581 2.2581 2.6807 2.6807 6.0133 6.0133 6.5488 6.5488 7.9361 7.9361 8.8207 8.8207 9.0411 9.0411 9.1734 9.1734 9.3231 9.3231 10.1667 10.1667 10.3709 10.3709 11.0090 11.0090 11.0845 11.0845 11.4228 11.4228 11.7586 11.7586 11.9172 11.9172 11.9745 11.9745 k = 0.2446 0.8158 0.6819 ( 4098 PWs) bands (ev): -52.9240 -52.9240 -52.9115 -52.9115 -27.3343 -27.3343 -27.3137 -27.3137 -26.5475 -26.5475 -26.5385 -26.5385 -26.4455 -26.4455 -26.4154 -26.4154 2.2589 2.2589 2.6870 2.6870 6.0071 6.0071 6.5477 6.5477 7.9419 7.9419 8.8230 8.8230 9.0313 9.0313 9.1694 9.1694 9.3225 9.3225 10.1710 10.1710 10.3678 10.3678 11.0097 11.0097 11.0761 11.0761 11.4256 11.4256 11.7638 11.7638 11.9189 11.9190 11.9733 11.9733 k = 0.2223 0.8120 0.6860 ( 4100 PWs) bands (ev): -52.9234 -52.9234 -52.9121 -52.9121 -27.3334 -27.3334 -27.3146 -27.3146 -26.5472 -26.5472 -26.5385 -26.5385 -26.4445 -26.4445 -26.4169 -26.4169 2.2588 2.2588 2.6935 2.6935 6.0026 6.0026 6.5446 6.5446 7.9508 7.9508 8.8258 8.8258 9.0168 9.0168 9.1650 9.1650 9.3223 9.3223 10.1761 10.1761 10.3670 10.3670 11.0079 11.0079 11.0669 11.0669 11.4328 11.4328 11.7605 11.7605 11.9186 11.9186 11.9725 11.9725 k = 0.2001 0.8082 0.6900 ( 4102 PWs) bands (ev): -52.9228 -52.9228 -52.9126 -52.9126 -27.3324 -27.3324 -27.3155 -27.3155 -26.5469 -26.5469 -26.5384 -26.5384 -26.4434 -26.4434 -26.4184 -26.4184 2.2581 2.2581 2.7002 2.7002 5.9999 5.9999 6.5397 6.5397 7.9626 7.9626 8.8291 8.8291 8.9984 8.9984 9.1604 9.1604 9.3222 9.3222 10.1811 10.1811 10.3689 10.3689 11.0043 11.0043 11.0571 11.0571 11.4437 11.4437 11.7500 11.7500 11.9160 11.9160 11.9718 11.9718 k = 0.1779 0.8044 0.6941 ( 4110 PWs) bands (ev): -52.9223 -52.9223 -52.9132 -52.9132 -27.3315 -27.3315 -27.3164 -27.3164 -26.5467 -26.5467 -26.5384 -26.5384 -26.4424 -26.4424 -26.4198 -26.4198 2.2570 2.2570 2.7066 2.7066 5.9988 5.9988 6.5332 6.5332 7.9769 7.9769 8.8326 8.8326 8.9768 8.9768 9.1557 9.1557 9.3223 9.3223 10.1856 10.1856 10.3734 10.3734 10.9995 10.9995 11.0473 11.0473 11.4572 11.4572 11.7342 11.7342 11.9111 11.9111 11.9712 11.9712 k = 0.1556 0.8006 0.6981 ( 4102 PWs) bands (ev): -52.9217 -52.9217 -52.9138 -52.9138 -27.3305 -27.3305 -27.3173 -27.3173 -26.5465 -26.5465 -26.5383 -26.5383 -26.4413 -26.4413 -26.4212 -26.4212 2.2557 2.2557 2.7127 2.7127 5.9991 5.9991 6.5254 6.5254 7.9932 7.9932 8.8364 8.8364 8.9532 8.9532 9.1510 9.1510 9.3225 9.3225 10.1891 10.1891 10.3803 10.3803 10.9944 10.9944 11.0378 11.0378 11.4725 11.4725 11.7154 11.7154 11.9043 11.9043 11.9705 11.9705 k = 0.1334 0.7968 0.7022 ( 4100 PWs) bands (ev): -52.9211 -52.9211 -52.9143 -52.9143 -27.3296 -27.3296 -27.3182 -27.3182 -26.5463 -26.5463 -26.5383 -26.5383 -26.4402 -26.4402 -26.4226 -26.4226 2.2543 2.2543 2.7184 2.7184 6.0004 6.0004 6.5170 6.5170 8.0105 8.0105 8.8401 8.8401 8.9287 8.9287 9.1465 9.1465 9.3227 9.3227 10.1916 10.1916 10.3889 10.3889 10.9893 10.9893 11.0286 11.0286 11.4887 11.4887 11.6955 11.6955 11.8958 11.8958 11.9699 11.9699 k = 0.1112 0.7929 0.7063 ( 4099 PWs) bands (ev): -52.9206 -52.9206 -52.9149 -52.9149 -27.3287 -27.3287 -27.3191 -27.3191 -26.5462 -26.5462 -26.5383 -26.5383 -26.4391 -26.4391 -26.4239 -26.4239 2.2529 2.2529 2.7234 2.7234 6.0024 6.0024 6.5084 6.5084 8.0282 8.0282 8.8436 8.8436 8.9047 8.9047 9.1424 9.1424 9.3229 9.3229 10.1931 10.1931 10.3984 10.3984 10.9848 10.9848 11.0201 11.0201 11.5047 11.5047 11.6763 11.6763 11.8863 11.8863 11.9693 11.9693 k = 0.0889 0.7891 0.7103 ( 4099 PWs) bands (ev): -52.9200 -52.9200 -52.9155 -52.9155 -27.3278 -27.3278 -27.3200 -27.3200 -26.5461 -26.5461 -26.5382 -26.5382 -26.4381 -26.4381 -26.4251 -26.4251 2.2516 2.2516 2.7276 2.7276 6.0048 6.0048 6.5003 6.5003 8.0449 8.0449 8.8467 8.8467 8.8825 8.8825 9.1387 9.1387 9.3230 9.3230 10.1938 10.1938 10.4080 10.4080 10.9811 10.9811 11.0125 11.0125 11.5196 11.5196 11.6591 11.6591 11.8764 11.8764 11.9688 11.9688 k = 0.0667 0.7853 0.7144 ( 4100 PWs) bands (ev): -52.9194 -52.9194 -52.9160 -52.9160 -27.3269 -27.3269 -27.3208 -27.3208 -26.5460 -26.5460 -26.5382 -26.5382 -26.4371 -26.4371 -26.4263 -26.4263 2.2505 2.2505 2.7310 2.7310 6.0072 6.0072 6.4933 6.4933 8.0597 8.0597 8.8488 8.8488 8.8639 8.8639 9.1357 9.1357 9.3232 9.3232 10.1941 10.1941 10.4166 10.4166 10.9784 10.9784 11.0061 11.0061 11.5324 11.5324 11.6451 11.6451 11.8672 11.8672 11.9683 11.9683 k = 0.0445 0.7815 0.7185 ( 4108 PWs) bands (ev): -52.9189 -52.9189 -52.9166 -52.9166 -27.3260 -27.3260 -27.3217 -27.3217 -26.5459 -26.5459 -26.5382 -26.5382 -26.4362 -26.4362 -26.4272 -26.4272 2.2497 2.2497 2.7335 2.7335 6.0092 6.0092 6.4878 6.4878 8.0713 8.0713 8.8456 8.8456 8.8543 8.8543 9.1334 9.1334 9.3232 9.3232 10.1941 10.1941 10.4233 10.4233 10.9767 10.9767 11.0010 11.0010 11.5420 11.5420 11.6351 11.6351 11.8595 11.8595 11.9680 11.9680 k = 0.0222 0.7777 0.7225 ( 4105 PWs) bands (ev): -52.9183 -52.9183 -52.9172 -52.9172 -27.3253 -27.3253 -27.3224 -27.3224 -26.5459 -26.5459 -26.5382 -26.5382 -26.4356 -26.4356 -26.4279 -26.4279 2.2492 2.2492 2.7350 2.7350 6.0106 6.0106 6.4843 6.4843 8.0787 8.0787 8.8375 8.8375 8.8542 8.8542 9.1320 9.1320 9.3233 9.3233 10.1940 10.1940 10.4277 10.4277 10.9758 10.9758 10.9978 10.9978 11.5479 11.5479 11.6292 11.6292 11.8543 11.8543 11.9679 11.9679 k = 0.0000 0.7739 0.7266 ( 4104 PWs) bands (ev): -52.9178 -52.9178 -52.9177 -52.9177 -27.3249 -27.3249 -27.3228 -27.3228 -26.5458 -26.5458 -26.5382 -26.5382 -26.4354 -26.4354 -26.4281 -26.4281 2.2490 2.2490 2.7355 2.7355 6.0110 6.0110 6.4831 6.4831 8.0813 8.0813 8.8345 8.8345 8.8544 8.8544 9.1315 9.1315 9.3233 9.3233 10.1939 10.1939 10.4292 10.4292 10.9755 10.9755 10.9967 10.9967 11.5498 11.5498 11.6273 11.6273 11.8525 11.8525 11.9678 11.9678 k = 0.0000 0.7739 0.7266 ( 4104 PWs) bands (ev): -52.9178 -52.9178 -52.9177 -52.9177 -27.3249 -27.3249 -27.3228 -27.3228 -26.5458 -26.5458 -26.5382 -26.5382 -26.4354 -26.4354 -26.4281 -26.4281 2.2490 2.2490 2.7355 2.7355 6.0110 6.0110 6.4831 6.4831 8.0813 8.0813 8.8345 8.8345 8.8544 8.8544 9.1315 9.1315 9.3233 9.3233 10.1939 10.1939 10.4292 10.4292 10.9755 10.9755 10.9967 10.9967 11.5498 11.5498 11.6273 11.6273 11.8525 11.8525 11.9678 11.9678 k = 0.0060 0.7576 0.7439 ( 4106 PWs) bands (ev): -52.9178 -52.9178 -52.9177 -52.9177 -27.3255 -27.3255 -27.3223 -27.3223 -26.5486 -26.5486 -26.5356 -26.5356 -26.4387 -26.4387 -26.4246 -26.4246 2.2495 2.2495 2.7352 2.7352 6.0126 6.0126 6.4848 6.4848 8.0804 8.0804 8.8297 8.8297 8.8577 8.8577 9.1297 9.1297 9.3245 9.3245 10.1945 10.1945 10.4271 10.4271 10.9728 10.9728 10.9982 10.9982 11.5480 11.5480 11.6193 11.6193 11.8603 11.8603 11.9708 11.9708 k = 0.0119 0.7414 0.7612 ( 4100 PWs) bands (ev): -52.9178 -52.9178 -52.9176 -52.9176 -27.3268 -27.3268 -27.3215 -27.3215 -26.5534 -26.5534 -26.5312 -26.5312 -26.4437 -26.4437 -26.4187 -26.4187 2.2511 2.2511 2.7345 2.7345 6.0173 6.0173 6.4900 6.4900 8.0779 8.0779 8.8197 8.8197 8.8635 8.8635 9.1244 9.1244 9.3281 9.3281 10.1961 10.1961 10.4211 10.4211 10.9649 10.9649 11.0025 11.0025 11.5422 11.5422 11.5987 11.5987 11.8808 11.8808 11.9798 11.9798 k = 0.0179 0.7251 0.7785 ( 4102 PWs) bands (ev): -52.9178 -52.9178 -52.9176 -52.9176 -27.3282 -27.3282 -27.3208 -27.3208 -26.5586 -26.5586 -26.5269 -26.5269 -26.4486 -26.4486 -26.4123 -26.4123 2.2538 2.2538 2.7333 2.7333 6.0250 6.0250 6.4987 6.4987 8.0736 8.0736 8.8073 8.8073 8.8688 8.8688 9.1157 9.1157 9.3342 9.3342 10.1983 10.1983 10.4116 10.4116 10.9521 10.9521 11.0086 11.0086 11.5295 11.5295 11.5746 11.5746 11.9086 11.9086 11.9945 11.9945 k = 0.0238 0.7089 0.7958 ( 4104 PWs) bands (ev): -52.9178 -52.9178 -52.9176 -52.9176 -27.3299 -27.3299 -27.3202 -27.3202 -26.5638 -26.5638 -26.5229 -26.5229 -26.4529 -26.4529 -26.4057 -26.4057 2.2575 2.2575 2.7317 2.7317 6.0359 6.0359 6.5107 6.5107 8.0677 8.0677 8.7933 8.7933 8.8728 8.8728 9.1040 9.1040 9.3425 9.3425 10.2006 10.2006 10.3994 10.3994 10.9349 10.9349 11.0152 11.0152 11.5039 11.5039 11.5582 11.5582 11.9397 11.9397 12.0146 12.0146 k = 0.0298 0.6926 0.8131 ( 4110 PWs) bands (ev): -52.9178 -52.9178 -52.9176 -52.9176 -27.3317 -27.3317 -27.3197 -27.3197 -26.5691 -26.5691 -26.5197 -26.5197 -26.4563 -26.4563 -26.3990 -26.3990 2.2623 2.2623 2.7295 2.7295 6.0497 6.0497 6.5262 6.5262 8.0601 8.0601 8.7781 8.7781 8.8755 8.8755 9.0900 9.0900 9.3532 9.3532 10.2021 10.2021 10.3854 10.3854 10.9139 10.9139 11.0207 11.0207 11.4672 11.4672 11.5518 11.5518 11.9721 11.9721 12.0396 12.0396 k = 0.0357 0.6764 0.8304 ( 4112 PWs) bands (ev): -52.9178 -52.9178 -52.9176 -52.9176 -27.3337 -27.3337 -27.3194 -27.3194 -26.5744 -26.5744 -26.5175 -26.5175 -26.4586 -26.4586 -26.3923 -26.3923 2.2680 2.2680 2.7269 2.7269 6.0665 6.0665 6.5448 6.5448 8.0508 8.0508 8.7619 8.7619 8.8767 8.8767 9.0739 9.0739 9.3661 9.3661 10.2020 10.2020 10.3709 10.3709 10.8897 10.8897 11.0233 11.0233 11.4255 11.4255 11.5523 11.5523 12.0047 12.0047 12.0688 12.0688 k = 0.0417 0.6601 0.8477 ( 4104 PWs) bands (ev): -52.9178 -52.9178 -52.9176 -52.9176 -27.3358 -27.3358 -27.3192 -27.3192 -26.5795 -26.5795 -26.5165 -26.5165 -26.4595 -26.4595 -26.3854 -26.3854 2.2747 2.2747 2.7239 2.7239 6.0863 6.0863 6.5667 6.5667 8.0399 8.0399 8.7449 8.7449 8.8765 8.8765 9.0565 9.0565 9.3811 9.3811 10.1989 10.1989 10.3571 10.3571 10.8630 10.8630 11.0213 11.0213 11.3813 11.3813 11.5595 11.5595 12.0371 12.0371 12.1011 12.1011 k = 0.0476 0.6439 0.8650 ( 4108 PWs) bands (ev): -52.9177 -52.9177 -52.9176 -52.9176 -27.3380 -27.3380 -27.3191 -27.3191 -26.5846 -26.5846 -26.5168 -26.5168 -26.4590 -26.4590 -26.3786 -26.3786 2.2824 2.2824 2.7205 2.7205 6.1088 6.1088 6.5916 6.5916 8.0275 8.0275 8.7270 8.7270 8.8748 8.8748 9.0382 9.0382 9.3981 9.3981 10.1917 10.1917 10.3451 10.3451 10.8344 10.8344 11.0137 11.0137 11.3358 11.3358 11.5741 11.5741 12.0696 12.0696 12.1355 12.1355 k = 0.0536 0.6277 0.8823 ( 4110 PWs) bands (ev): -52.9177 -52.9177 -52.9176 -52.9176 -27.3403 -27.3403 -27.3192 -27.3192 -26.5896 -26.5896 -26.5184 -26.5184 -26.4570 -26.4570 -26.3718 -26.3718 2.2910 2.2910 2.7166 2.7166 6.1340 6.1340 6.6195 6.6195 8.0136 8.0136 8.7086 8.7086 8.8717 8.8717 9.0195 9.0195 9.4170 9.4170 10.1797 10.1797 10.3358 10.3358 10.8045 10.8045 10.9999 10.9999 11.2897 11.2897 11.5962 11.5962 12.1020 12.1020 12.1712 12.1712 k = 0.0595 0.6114 0.8996 ( 4110 PWs) bands (ev): -52.9177 -52.9177 -52.9176 -52.9176 -27.3428 -27.3428 -27.3194 -27.3194 -26.5945 -26.5945 -26.5210 -26.5210 -26.4540 -26.4540 -26.3650 -26.3650 2.3004 2.3004 2.7124 2.7124 6.1618 6.1618 6.6501 6.6501 7.9985 7.9985 8.6897 8.6897 8.8674 8.8674 9.0008 9.0008 9.4376 9.4376 10.1630 10.1630 10.3292 10.3292 10.7738 10.7738 10.9801 10.9801 11.2434 11.2434 11.6255 11.6255 12.1342 12.1342 12.2076 12.2076 k = 0.0655 0.5952 0.9169 ( 4112 PWs) bands (ev): -52.9177 -52.9177 -52.9175 -52.9175 -27.3453 -27.3453 -27.3197 -27.3197 -26.5992 -26.5992 -26.5244 -26.5244 -26.4501 -26.4501 -26.3582 -26.3582 2.3107 2.3107 2.7078 2.7078 6.1921 6.1921 6.6833 6.6833 7.9822 7.9822 8.6705 8.6705 8.8618 8.8618 8.9825 8.9825 9.4598 9.4598 10.1422 10.1422 10.3246 10.3246 10.7428 10.7428 10.9551 10.9551 11.1970 11.1970 11.6611 11.6611 12.1660 12.1660 12.2440 12.2440 k = 0.0714 0.5789 0.9342 ( 4108 PWs) bands (ev): -52.9176 -52.9176 -52.9175 -52.9175 -27.3479 -27.3479 -27.3202 -27.3202 -26.6038 -26.6038 -26.5281 -26.5281 -26.4456 -26.4456 -26.3514 -26.3514 2.3217 2.3217 2.7028 2.7028 6.2247 6.2247 6.7189 6.7189 7.9651 7.9651 8.6511 8.6511 8.8551 8.8551 8.9649 8.9649 9.4834 9.4834 10.1183 10.1183 10.3211 10.3211 10.7121 10.7121 10.9256 10.9256 11.1511 11.1511 11.7022 11.7022 12.1971 12.1971 12.2803 12.2803 k = 0.0774 0.5627 0.9515 ( 4106 PWs) bands (ev): -52.9176 -52.9176 -52.9175 -52.9175 -27.3506 -27.3506 -27.3207 -27.3207 -26.6083 -26.6083 -26.5322 -26.5322 -26.4408 -26.4408 -26.3448 -26.3448 2.3335 2.3335 2.6975 2.6975 6.2595 6.2595 6.7565 6.7565 7.9475 7.9475 8.6315 8.6315 8.8474 8.8474 8.9480 8.9480 9.5082 9.5082 10.0922 10.0922 10.3181 10.3181 10.6819 10.6819 10.8926 10.8926 11.1056 11.1056 11.7474 11.7474 12.2273 12.2273 12.3160 12.3160 k = 0.0833 0.5464 0.9688 ( 4102 PWs) bands (ev): -52.9176 -52.9176 -52.9175 -52.9175 -27.3533 -27.3533 -27.3214 -27.3214 -26.6126 -26.6126 -26.5364 -26.5364 -26.4357 -26.4357 -26.3382 -26.3382 2.3459 2.3459 2.6920 2.6920 6.2963 6.2963 6.7959 6.7959 7.9296 7.9296 8.6120 8.6120 8.8388 8.8388 8.9321 8.9321 9.5339 9.5339 10.0644 10.0644 10.3149 10.3149 10.6528 10.6528 10.8569 10.8569 11.0610 11.0610 11.7959 11.7959 12.2561 12.2561 12.3509 12.3509 k = 0.0893 0.5302 0.9861 ( 4104 PWs) bands (ev): -52.9176 -52.9176 -52.9174 -52.9174 -27.3561 -27.3561 -27.3222 -27.3222 -26.6168 -26.6168 -26.5407 -26.5407 -26.4305 -26.4305 -26.3317 -26.3317 2.3589 2.3589 2.6861 2.6861 6.3349 6.3349 6.8367 6.8367 7.9120 7.9120 8.5926 8.5926 8.8295 8.8295 8.9171 8.9171 9.5603 9.5603 10.0356 10.0356 10.3113 10.3113 10.6251 10.6251 10.8192 10.8192 11.0173 11.0173 11.8466 11.8466 12.2832 12.2832 12.3847 12.3847 k = 0.0952 0.5140 1.0034 ( 4108 PWs) bands (ev): -52.9175 -52.9175 -52.9174 -52.9174 -27.3589 -27.3589 -27.3230 -27.3230 -26.6208 -26.6208 -26.5450 -26.5450 -26.4252 -26.4252 -26.3254 -26.3254 2.3724 2.3724 2.6801 2.6801 6.3752 6.3752 6.8784 6.8784 7.8951 7.8951 8.5735 8.5735 8.8196 8.8196 8.9031 8.9031 9.5870 9.5870 10.0061 10.0061 10.3069 10.3069 10.5991 10.5991 10.7800 10.7800 10.9749 10.9749 11.8985 11.8985 12.3083 12.3083 12.4172 12.4172 k = 0.1012 0.4977 1.0207 ( 4108 PWs) bands (ev): -52.9175 -52.9175 -52.9174 -52.9174 -27.3618 -27.3618 -27.3240 -27.3240 -26.6247 -26.6247 -26.5492 -26.5492 -26.4199 -26.4199 -26.3191 -26.3191 2.3863 2.3863 2.6738 2.6738 6.4168 6.4168 6.9205 6.9205 7.8795 7.8795 8.5547 8.5547 8.8092 8.8092 8.8899 8.8899 9.6139 9.6139 9.9761 9.9761 10.3017 10.3017 10.5753 10.5753 10.7400 10.7400 10.9339 10.9339 11.9507 11.9507 12.3312 12.3312 12.4483 12.4483 k = 0.1071 0.4815 1.0380 ( 4118 PWs) bands (ev): -52.9175 -52.9175 -52.9174 -52.9174 -27.3647 -27.3647 -27.3250 -27.3250 -26.6284 -26.6284 -26.5534 -26.5534 -26.4146 -26.4146 -26.3130 -26.3130 2.4007 2.4007 2.6674 2.6674 6.4596 6.4596 6.9625 6.9625 7.8659 7.8659 8.5364 8.5364 8.7986 8.7986 8.8774 8.8774 9.6405 9.6405 9.9459 9.9459 10.2955 10.2955 10.5538 10.5538 10.6996 10.6996 10.8946 10.8946 12.0023 12.0023 12.3516 12.3516 12.4777 12.4777 k = 0.1131 0.4652 1.0553 ( 4116 PWs) bands (ev): -52.9174 -52.9174 -52.9173 -52.9173 -27.3676 -27.3676 -27.3260 -27.3260 -26.6319 -26.6319 -26.5574 -26.5574 -26.4094 -26.4094 -26.3071 -26.3071 2.4153 2.4153 2.6609 2.6609 6.5034 6.5034 7.0036 7.0036 7.8549 7.8549 8.5186 8.5186 8.7877 8.7877 8.8656 8.8656 9.6665 9.6665 9.9158 9.9158 10.2885 10.2885 10.5349 10.5349 10.6592 10.6592 10.8573 10.8573 12.0522 12.0522 12.3693 12.3693 12.5055 12.5055 k = 0.1190 0.4490 1.0726 ( 4116 PWs) bands (ev): -52.9174 -52.9174 -52.9173 -52.9173 -27.3704 -27.3704 -27.3272 -27.3272 -26.6353 -26.6353 -26.5613 -26.5613 -26.4042 -26.4042 -26.3013 -26.3013 2.4301 2.4301 2.6542 2.6542 6.5478 6.5478 7.0430 7.0430 7.8474 7.8474 8.5015 8.5015 8.7766 8.7766 8.8543 8.8543 9.6915 9.6915 9.8858 9.8858 10.2804 10.2804 10.5186 10.5186 10.6191 10.6191 10.8224 10.8224 12.0993 12.0993 12.3840 12.3840 12.5316 12.5316 k = 0.1250 0.4327 1.0899 ( 4116 PWs) bands (ev): -52.9174 -52.9174 -52.9173 -52.9173 -27.3733 -27.3733 -27.3283 -27.3283 -26.6385 -26.6385 -26.5651 -26.5651 -26.3992 -26.3992 -26.2957 -26.2957 2.4451 2.4451 2.6475 2.6475 6.5927 6.5927 7.0799 7.0799 7.8442 7.8442 8.4850 8.4850 8.7655 8.7655 8.8435 8.8435 9.7153 9.7153 9.8560 9.8560 10.2713 10.2713 10.5050 10.5050 10.5799 10.5799 10.7904 10.7904 12.1424 12.1424 12.3958 12.3958 12.5561 12.5561 k = 0.1310 0.4165 1.1072 ( 4116 PWs) bands (ev): -52.9173 -52.9173 -52.9172 -52.9172 -27.3761 -27.3761 -27.3295 -27.3295 -26.6416 -26.6416 -26.5688 -26.5688 -26.3943 -26.3943 -26.2902 -26.2902 2.4602 2.4602 2.6408 2.6408 6.6376 6.6376 7.1133 7.1133 7.8462 7.8462 8.4694 8.4694 8.7544 8.7544 8.8330 8.8330 9.7374 9.7374 9.8268 9.8268 10.2611 10.2611 10.4935 10.4935 10.5420 10.5420 10.7618 10.7618 12.1804 12.1804 12.4045 12.4045 12.5790 12.5790 k = 0.1369 0.4002 1.1245 ( 4120 PWs) bands (ev): -52.9173 -52.9173 -52.9172 -52.9172 -27.3788 -27.3788 -27.3307 -27.3307 -26.6445 -26.6445 -26.5722 -26.5722 -26.3896 -26.3896 -26.2850 -26.2850 2.4752 2.4752 2.6341 2.6341 6.6825 6.6825 7.1425 7.1425 7.8540 7.8540 8.4546 8.4546 8.7432 8.7432 8.8228 8.8228 9.7571 9.7571 9.7988 9.7988 10.2496 10.2496 10.4837 10.4837 10.5059 10.5059 10.7374 10.7374 12.2122 12.2122 12.4102 12.4102 12.6003 12.6003 k = 0.1429 0.3840 1.1418 ( 4128 PWs) bands (ev): -52.9173 -52.9173 -52.9172 -52.9172 -27.3815 -27.3815 -27.3319 -27.3319 -26.6472 -26.6472 -26.5755 -26.5755 -26.3850 -26.3850 -26.2800 -26.2800 2.4901 2.4901 2.6275 2.6275 6.7269 6.7269 7.1669 7.1669 7.8681 7.8681 8.4408 8.4408 8.7321 8.7321 8.8128 8.8128 9.7628 9.7628 9.7837 9.7837 10.2367 10.2367 10.4709 10.4709 10.4757 10.4757 10.7181 10.7181 12.2372 12.2372 12.4127 12.4127 12.6203 12.6203 k = 0.1488 0.3678 1.1591 ( 4128 PWs) bands (ev): -52.9172 -52.9172 -52.9172 -52.9172 -27.3842 -27.3842 -27.3331 -27.3331 -26.6498 -26.6498 -26.5787 -26.5787 -26.3805 -26.3805 -26.2752 -26.2752 2.5048 2.5048 2.6209 2.6209 6.7706 6.7706 7.1862 7.1862 7.8887 7.8887 8.4279 8.4279 8.7211 8.7211 8.8028 8.8028 9.7386 9.7386 9.7973 9.7973 10.2221 10.2221 10.4403 10.4403 10.4658 10.4658 10.7048 10.7048 12.2552 12.2552 12.4121 12.4121 12.6388 12.6388 k = 0.1548 0.3515 1.1764 ( 4128 PWs) bands (ev): -52.9172 -52.9172 -52.9171 -52.9171 -27.3867 -27.3867 -27.3343 -27.3343 -26.6523 -26.6523 -26.5817 -26.5817 -26.3763 -26.3763 -26.2706 -26.2706 2.5192 2.5192 2.6145 2.6145 6.8133 6.8133 7.2004 7.2004 7.9154 7.9154 8.4161 8.4161 8.7101 8.7101 8.7929 8.7929 9.7118 9.7118 9.8126 9.8126 10.2058 10.2058 10.4124 10.4124 10.4554 10.4554 10.6982 10.6982 12.2668 12.2668 12.4086 12.4086 12.6561 12.6561 k = 0.1607 0.3353 1.1937 ( 4122 PWs) bands (ev): -52.9172 -52.9172 -52.9171 -52.9171 -27.3892 -27.3892 -27.3355 -27.3355 -26.6545 -26.6545 -26.5844 -26.5844 -26.3723 -26.3723 -26.2662 -26.2662 2.5332 2.5332 2.6083 2.6083 6.8547 6.8547 7.2101 7.2101 7.9477 7.9477 8.4053 8.4053 8.6993 8.6993 8.7829 8.7829 9.6854 9.6854 9.8270 9.8270 10.1875 10.1875 10.3879 10.3879 10.4434 10.4434 10.6984 10.6984 12.2728 12.2728 12.4023 12.4023 12.6720 12.6720 k = 0.1667 0.3190 1.2110 ( 4122 PWs) bands (ev): -52.9171 -52.9171 -52.9171 -52.9171 -27.3915 -27.3915 -27.3367 -27.3367 -26.6566 -26.6566 -26.5871 -26.5871 -26.3685 -26.3685 -26.2621 -26.2621 2.5468 2.5468 2.6023 2.6023 6.8946 6.8946 7.2159 7.2159 7.9845 7.9845 8.3956 8.3956 8.6886 8.6886 8.7729 8.7729 9.6595 9.6595 9.8405 9.8405 10.1676 10.1676 10.3671 10.3671 10.4297 10.4297 10.7049 10.7049 12.2744 12.2744 12.3934 12.3934 12.6867 12.6867 k = 0.1726 0.3028 1.2283 ( 4122 PWs) bands (ev): -52.9171 -52.9171 -52.9171 -52.9171 -27.3938 -27.3938 -27.3378 -27.3378 -26.6586 -26.6586 -26.5895 -26.5895 -26.3649 -26.3649 -26.2582 -26.2582 2.5598 2.5598 2.5965 2.5965 6.9326 6.9326 7.2185 7.2185 8.0249 8.0249 8.3871 8.3871 8.6780 8.6780 8.7626 8.7626 9.6345 9.6345 9.8531 9.8531 10.1464 10.1464 10.3497 10.3497 10.4147 10.4147 10.7166 10.7166 12.2728 12.2728 12.3822 12.3822 12.7002 12.7002 k = 0.1786 0.2865 1.2456 ( 4120 PWs) bands (ev): -52.9171 -52.9171 -52.9170 -52.9170 -27.3959 -27.3959 -27.3389 -27.3389 -26.6604 -26.6604 -26.5918 -26.5918 -26.3615 -26.3615 -26.2546 -26.2546 2.5722 2.5722 2.5910 2.5910 6.9687 6.9687 7.2187 7.2187 8.0679 8.0679 8.3796 8.3796 8.6677 8.6677 8.7522 8.7522 9.6104 9.6104 9.8652 9.8652 10.1243 10.1243 10.3356 10.3356 10.3991 10.3991 10.7324 10.7324 12.2690 12.2690 12.3689 12.3689 12.7125 12.7125 k = 0.1845 0.2703 1.2629 ( 4124 PWs) bands (ev): -52.9171 -52.9171 -52.9170 -52.9170 -27.3979 -27.3979 -27.3399 -27.3399 -26.6621 -26.6621 -26.5938 -26.5938 -26.3584 -26.3584 -26.2513 -26.2513 2.5838 2.5838 2.5860 2.5860 7.0024 7.0024 7.2171 7.2171 8.1123 8.1123 8.3733 8.3733 8.6576 8.6576 8.7415 8.7415 9.5872 9.5872 9.8769 9.8769 10.1021 10.1021 10.3241 10.3241 10.3834 10.3834 10.7509 10.7509 12.2636 12.2636 12.3539 12.3539 12.7237 12.7237 k = 0.1905 0.2540 1.2802 ( 4126 PWs) bands (ev): -52.9170 -52.9170 -52.9170 -52.9170 -27.3997 -27.3997 -27.3408 -27.3408 -26.6636 -26.6636 -26.5957 -26.5957 -26.3555 -26.3555 -26.2482 -26.2482 2.5809 2.5809 2.5949 2.5949 7.0337 7.0337 7.2144 7.2144 8.1575 8.1575 8.3680 8.3680 8.6479 8.6479 8.7304 8.7304 9.5651 9.5651 9.8883 9.8883 10.0804 10.0804 10.3150 10.3150 10.3682 10.3682 10.7712 10.7712 12.2575 12.2575 12.3377 12.3377 12.7338 12.7338 k = 0.1964 0.2378 1.2975 ( 4126 PWs) bands (ev): -52.9170 -52.9170 -52.9170 -52.9170 -27.4014 -27.4014 -27.3417 -27.3417 -26.6650 -26.6650 -26.5975 -26.5975 -26.3529 -26.3529 -26.2454 -26.2454 2.5764 2.5764 2.6051 2.6051 7.0624 7.0624 7.2110 7.2110 8.2024 8.2024 8.3638 8.3638 8.6386 8.6386 8.7190 8.7190 9.5442 9.5442 9.8994 9.8994 10.0596 10.0596 10.3077 10.3077 10.3537 10.3537 10.7922 10.7922 12.2510 12.2510 12.3207 12.3207 12.7429 12.7429 k = 0.2024 0.2216 1.3148 ( 4126 PWs) bands (ev): -52.9170 -52.9170 -52.9170 -52.9170 -27.4029 -27.4029 -27.3425 -27.3425 -26.6662 -26.6662 -26.5990 -26.5990 -26.3505 -26.3505 -26.2429 -26.2429 2.5723 2.5723 2.6143 2.6143 7.0883 7.0883 7.2072 7.2072 8.2463 8.2463 8.3604 8.3604 8.6297 8.6297 8.7072 8.7072 9.5247 9.5247 9.9101 9.9101 10.0403 10.0403 10.3020 10.3020 10.3403 10.3403 10.8132 10.8132 12.2445 12.2445 12.3034 12.3035 12.7509 12.7509 k = 0.2083 0.2053 1.3321 ( 4132 PWs) bands (ev): -52.9170 -52.9170 -52.9169 -52.9169 -27.4043 -27.4043 -27.3433 -27.3433 -26.6672 -26.6672 -26.6003 -26.6003 -26.3485 -26.3485 -26.2407 -26.2407 2.5687 2.5687 2.6226 2.6226 7.1113 7.1113 7.2034 7.2034 8.2887 8.2887 8.3581 8.3581 8.6216 8.6216 8.6950 8.6950 9.5067 9.5067 9.9204 9.9204 10.0227 10.0227 10.2975 10.2975 10.3281 10.3281 10.8334 10.8334 12.2383 12.2383 12.2865 12.2865 12.7580 12.7580 k = 0.2143 0.1891 1.3494 ( 4142 PWs) bands (ev): -52.9170 -52.9170 -52.9169 -52.9169 -27.4055 -27.4055 -27.3439 -27.3439 -26.6682 -26.6682 -26.6015 -26.6015 -26.3466 -26.3466 -26.2387 -26.2387 2.5654 2.5654 2.6299 2.6299 7.1314 7.1314 7.1998 7.1998 8.3284 8.3284 8.3568 8.3568 8.6142 8.6142 8.6822 8.6822 9.4905 9.4905 9.9299 9.9299 10.0071 10.0071 10.2940 10.2940 10.3174 10.3174 10.8521 10.8521 12.2326 12.2326 12.2704 12.2704 12.7640 12.7640 k = 0.2202 0.1728 1.3667 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4065 -27.4065 -27.3445 -27.3445 -26.6689 -26.6689 -26.6025 -26.6025 -26.3451 -26.3451 -26.2371 -26.2371 2.5627 2.5627 2.6362 2.6362 7.1484 7.1484 7.1966 7.1966 8.3529 8.3529 8.3685 8.3685 8.6077 8.6077 8.6690 8.6690 9.4762 9.4762 9.9384 9.9384 9.9938 9.9938 10.2914 10.2914 10.3082 10.3082 10.8689 10.8689 12.2274 12.2274 12.2558 12.2558 12.7691 12.7691 k = 0.2262 0.1566 1.3840 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4074 -27.4074 -27.3449 -27.3449 -26.6696 -26.6696 -26.6033 -26.6033 -26.3438 -26.3438 -26.2357 -26.2357 2.5604 2.5604 2.6413 2.6413 7.1624 7.1624 7.1938 7.1938 8.3534 8.3534 8.4013 8.4013 8.6023 8.6023 8.6554 8.6554 9.4640 9.4640 9.9457 9.9457 9.9830 9.9830 10.2894 10.2894 10.3005 10.3005 10.8832 10.8832 12.2229 12.2229 12.2431 12.2431 12.7733 12.7733 k = 0.2321 0.1403 1.4013 ( 4146 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4080 -27.4080 -27.3453 -27.3453 -26.6701 -26.6701 -26.6040 -26.6040 -26.3428 -26.3428 -26.2347 -26.2347 2.5586 2.5586 2.6454 2.6454 7.1733 7.1733 7.1916 7.1916 8.3532 8.3532 8.4307 8.4307 8.5983 8.5983 8.6418 8.6418 9.4543 9.4543 9.9511 9.9511 9.9750 9.9750 10.2880 10.2880 10.2946 10.2946 10.8948 10.8948 12.2189 12.2189 12.2332 12.2332 12.7765 12.7765 k = 0.2381 0.1241 1.4186 ( 4158 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4085 -27.4085 -27.3456 -27.3456 -26.6704 -26.6704 -26.6044 -26.6044 -26.3421 -26.3421 -26.2339 -26.2339 2.5573 2.5573 2.6483 2.6483 7.1810 7.1810 7.1900 7.1900 8.3531 8.3531 8.4545 8.4545 8.5960 8.5960 8.6290 8.6290 9.4472 9.4472 9.9541 9.9541 9.9702 9.9702 10.2869 10.2869 10.2904 10.2904 10.9033 10.9033 12.2155 12.2155 12.2263 12.2263 12.7787 12.7787 k = 0.2440 0.1079 1.4359 ( 4162 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4088 -27.4088 -27.3457 -27.3457 -26.6706 -26.6706 -26.6047 -26.6047 -26.3417 -26.3417 -26.2335 -26.2335 2.5565 2.5565 2.6500 2.6500 7.1853 7.1853 7.1894 7.1894 8.3531 8.3531 8.4706 8.4706 8.5955 8.5955 8.6188 8.6188 9.4428 9.4428 9.9548 9.9548 9.9686 9.9686 10.2860 10.2860 10.2883 10.2883 10.9085 10.9085 12.2128 12.2128 12.2227 12.2227 12.7801 12.7801 k = 0.2500 0.0916 1.4532 ( 4156 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5563 2.5563 2.6506 2.6506 7.1865 7.1865 7.1895 7.1895 8.3531 8.3531 8.4764 8.4764 8.5958 8.5958 8.6144 8.6144 9.4414 9.4414 9.9547 9.9547 9.9684 9.9684 10.2855 10.2855 10.2877 10.2877 10.9102 10.9102 12.2118 12.2118 12.2215 12.2215 12.7806 12.7806 k = 0.2500 0.0916 1.4532 ( 4156 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5563 2.5563 2.6506 2.6506 7.1865 7.1865 7.1895 7.1895 8.3531 8.3531 8.4764 8.4764 8.5958 8.5958 8.6144 8.6144 9.4414 9.4414 9.9547 9.9547 9.9684 9.9684 10.2855 10.2855 10.2877 10.2877 10.9102 10.9102 12.2118 12.2118 12.2215 12.2215 12.7806 12.7806 k = 0.2708 0.0992 1.4451 ( 4156 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3416 -26.3416 -26.2333 -26.2333 2.5563 2.5563 2.6506 2.6506 7.1781 7.1781 7.1978 7.1978 8.3511 8.3511 8.4778 8.4778 8.5905 8.5905 8.6205 8.6205 9.4405 9.4405 9.9481 9.9481 9.9758 9.9758 10.2779 10.2779 10.2947 10.2947 10.9108 10.9108 12.2106 12.2106 12.2229 12.2229 12.7805 12.7805 k = 0.2917 0.1069 1.4370 ( 4151 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4088 -27.4088 -27.3458 -27.3458 -26.6707 -26.6707 -26.6047 -26.6047 -26.3416 -26.3416 -26.2334 -26.2334 2.5564 2.5564 2.6504 2.6504 7.1686 7.1686 7.2073 7.2073 8.3459 8.3459 8.4818 8.4818 8.5810 8.5810 8.6320 8.6320 9.4378 9.4378 9.9373 9.9373 9.9890 9.9890 10.2696 10.2696 10.3014 10.3014 10.9126 10.9126 12.2085 12.2085 12.2259 12.2259 12.7804 12.7804 k = 0.3125 0.1145 1.4288 ( 4145 PWs) bands (ev): -52.9170 -52.9170 -52.9168 -52.9168 -27.4088 -27.4088 -27.3457 -27.3457 -26.6706 -26.6706 -26.6047 -26.6047 -26.3417 -26.3417 -26.2335 -26.2335 2.5564 2.5564 2.6502 2.6502 7.1587 7.1587 7.2170 7.2170 8.3381 8.3381 8.4875 8.4875 8.5721 8.5721 8.6441 8.6441 9.4338 9.4338 9.9269 9.9269 10.0034 10.0034 10.2606 10.2606 10.3077 10.3077 10.9153 10.9153 12.2064 12.2064 12.2293 12.2293 12.7801 12.7801 k = 0.3333 0.1221 1.4207 ( 4145 PWs) bands (ev): -52.9170 -52.9170 -52.9168 -52.9168 -27.4087 -27.4087 -27.3457 -27.3457 -26.6706 -26.6706 -26.6046 -26.6046 -26.3418 -26.3418 -26.2336 -26.2336 2.5565 2.5565 2.6499 2.6499 7.1485 7.1485 7.2266 7.2266 8.3288 8.3288 8.4935 8.4935 8.5658 8.5658 8.6555 8.6555 9.4287 9.4287 9.9174 9.9174 10.0185 10.0185 10.2510 10.2510 10.3137 10.3137 10.9185 10.9185 12.2049 12.2049 12.2330 12.2330 12.7797 12.7797 k = 0.3542 0.1298 1.4126 ( 4137 PWs) bands (ev): -52.9170 -52.9170 -52.9168 -52.9168 -27.4086 -27.4086 -27.3456 -27.3456 -26.6705 -26.6705 -26.6045 -26.6045 -26.3419 -26.3419 -26.2337 -26.2337 2.5565 2.5565 2.6496 2.6496 7.1381 7.1381 7.2360 7.2360 8.3187 8.3187 8.4974 8.4974 8.5639 8.5639 8.6654 8.6654 9.4231 9.4231 9.9090 9.9090 10.0341 10.0341 10.2407 10.2407 10.3195 10.3195 10.9217 10.9217 12.2041 12.2041 12.2367 12.2367 12.7792 12.7792 k = 0.3750 0.1374 1.4044 ( 4134 PWs) bands (ev): -52.9171 -52.9171 -52.9167 -52.9167 -27.4085 -27.4085 -27.3456 -27.3456 -26.6704 -26.6704 -26.6044 -26.6044 -26.3421 -26.3421 -26.2339 -26.2339 2.5565 2.5565 2.6493 2.6493 7.1276 7.1276 7.2450 7.2450 8.3085 8.3085 8.4979 8.4979 8.5678 8.5678 8.6733 8.6733 9.4178 9.4178 9.9017 9.9017 10.0502 10.0502 10.2297 10.2297 10.3249 10.3249 10.9244 10.9244 12.2043 12.2043 12.2403 12.2403 12.7786 12.7786 k = 0.3958 0.1450 1.3963 ( 4140 PWs) bands (ev): -52.9172 -52.9172 -52.9167 -52.9167 -27.4084 -27.4084 -27.3455 -27.3455 -26.6703 -26.6703 -26.6043 -26.6043 -26.3423 -26.3423 -26.2341 -26.2341 2.5565 2.5565 2.6489 2.6489 7.1171 7.1171 7.2534 7.2534 8.2986 8.2986 8.4954 8.4954 8.5767 8.5767 8.6788 8.6788 9.4132 9.4132 9.8955 9.8955 10.0665 10.0665 10.2181 10.2181 10.3301 10.3301 10.9261 10.9261 12.2054 12.2054 12.2438 12.2438 12.7779 12.7779 k = 0.4167 0.1527 1.3882 ( 4136 PWs) bands (ev): -52.9172 -52.9172 -52.9166 -52.9166 -27.4082 -27.4082 -27.3454 -27.3454 -26.6702 -26.6702 -26.6041 -26.6041 -26.3425 -26.3425 -26.2344 -26.2344 2.5564 2.5564 2.6486 2.6486 7.1067 7.1067 7.2611 7.2611 8.2893 8.2893 8.4915 8.4915 8.5887 8.5887 8.6813 8.6813 9.4101 9.4101 9.8905 9.8905 10.0830 10.0830 10.2058 10.2058 10.3351 10.3351 10.9265 10.9265 12.2076 12.2076 12.2471 12.2471 12.7770 12.7770 k = 0.4375 0.1603 1.3800 ( 4142 PWs) bands (ev): -52.9173 -52.9173 -52.9165 -52.9165 -27.4080 -27.4080 -27.3453 -27.3453 -26.6701 -26.6701 -26.6040 -26.6040 -26.3428 -26.3428 -26.2347 -26.2347 2.5564 2.5564 2.6481 2.6481 7.0965 7.0965 7.2680 7.2680 8.2809 8.2809 8.4876 8.4876 8.6022 8.6022 8.6809 8.6809 9.4088 9.4088 9.8868 9.8868 10.0996 10.0996 10.1929 10.1929 10.3398 10.3398 10.9251 10.9251 12.2108 12.2108 12.2502 12.2502 12.7760 12.7760 k = 0.4583 0.1680 1.3719 ( 4142 PWs) bands (ev): -52.9174 -52.9174 -52.9164 -52.9164 -27.4079 -27.4079 -27.3452 -27.3452 -26.6699 -26.6699 -26.6038 -26.6038 -26.3431 -26.3431 -26.2350 -26.2350 2.5563 2.5563 2.6476 2.6476 7.0867 7.0867 7.2738 7.2738 8.2735 8.2735 8.4845 8.4845 8.6157 8.6157 8.6776 8.6776 9.4098 9.4098 9.8843 9.8843 10.1162 10.1162 10.1793 10.1793 10.3443 10.3443 10.9218 10.9218 12.2149 12.2149 12.2531 12.2531 12.7749 12.7749 k = 0.4792 0.1756 1.3638 ( 4142 PWs) bands (ev): -52.9175 -52.9175 -52.9163 -52.9163 -27.4076 -27.4076 -27.3450 -27.3450 -26.6698 -26.6698 -26.6035 -26.6035 -26.3434 -26.3434 -26.2353 -26.2353 2.5562 2.5562 2.6471 2.6471 7.0773 7.0773 7.2786 7.2786 8.2671 8.2671 8.4827 8.4827 8.6276 8.6276 8.6723 8.6723 9.4132 9.4132 9.8831 9.8831 10.1325 10.1325 10.1653 10.1653 10.3485 10.3485 10.9164 10.9164 12.2198 12.2198 12.2557 12.2557 12.7737 12.7737 k = 0.5000 0.1832 1.3556 ( 4138 PWs) bands (ev): -52.9177 -52.9177 -52.9162 -52.9162 -27.4074 -27.4074 -27.3449 -27.3449 -26.6696 -26.6696 -26.6033 -26.6033 -26.3438 -26.3438 -26.2357 -26.2357 2.5562 2.5562 2.6464 2.6464 7.0686 7.0686 7.2823 7.2823 8.2620 8.2620 8.4824 8.4824 8.6343 8.6343 8.6683 8.6683 9.4190 9.4190 9.8832 9.8832 10.1460 10.1460 10.1533 10.1533 10.3525 10.3525 10.9091 10.9091 12.2253 12.2253 12.2581 12.2581 12.7723 12.7723 k = 0.5000 0.1832 1.3556 ( 4138 PWs) bands (ev): -52.9177 -52.9177 -52.9162 -52.9162 -27.4074 -27.4074 -27.3449 -27.3449 -26.6696 -26.6696 -26.6033 -26.6033 -26.3438 -26.3438 -26.2357 -26.2357 2.5562 2.5562 2.6464 2.6464 7.0686 7.0686 7.2823 7.2823 8.2620 8.2620 8.4824 8.4824 8.6343 8.6343 8.6683 8.6683 9.4190 9.4190 9.8832 9.8832 10.1460 10.1460 10.1533 10.1533 10.3525 10.3525 10.9091 10.9091 12.2253 12.2253 12.2581 12.2581 12.7723 12.7723 k = 0.5000 0.1832 1.3314 ( 4134 PWs) bands (ev): -52.9181 -52.9181 -52.9158 -52.9158 -27.4066 -27.4066 -27.3444 -27.3444 -26.6690 -26.6690 -26.6025 -26.6025 -26.3451 -26.3451 -26.2370 -26.2370 2.5560 2.5560 2.6436 2.6436 7.0418 7.0418 7.2926 7.2926 8.2459 8.2459 8.4839 8.4839 8.6308 8.6308 8.6750 8.6750 9.4416 9.4416 9.8856 9.8856 10.1478 10.1478 10.1556 10.1556 10.3656 10.3656 10.8820 10.8820 12.2437 12.2437 12.2656 12.2656 12.7671 12.7671 k = 0.5000 0.1832 1.3072 ( 4138 PWs) bands (ev): -52.9186 -52.9186 -52.9153 -52.9153 -27.4057 -27.4057 -27.3438 -27.3438 -26.6683 -26.6683 -26.6015 -26.6015 -26.3466 -26.3466 -26.2385 -26.2385 2.5557 2.5557 2.6401 2.6401 7.0116 7.0116 7.3051 7.3051 8.2246 8.2246 8.4853 8.4853 8.6181 8.6181 8.6929 8.6929 9.4671 9.4671 9.8886 9.8886 10.1415 10.1415 10.1678 10.1678 10.3816 10.3816 10.8502 10.8502 12.2633 12.2633 12.2759 12.2759 12.7603 12.7603 k = 0.5000 0.1832 1.2830 ( 4136 PWs) bands (ev): -52.9191 -52.9191 -52.9148 -52.9148 -27.4047 -27.4047 -27.3430 -27.3430 -26.6674 -26.6674 -26.6003 -26.6003 -26.3485 -26.3485 -26.2403 -26.2403 2.5552 2.5552 2.6356 2.6356 6.9794 6.9794 7.3198 7.3198 8.1976 8.1976 8.4866 8.4866 8.6052 8.6052 8.7135 8.7135 9.4949 9.4949 9.8921 9.8921 10.1347 10.1347 10.1831 10.1831 10.4006 10.4006 10.8145 10.8145 12.2798 12.2798 12.2922 12.2922 12.7515 12.7515 k = 0.5000 0.1832 1.2588 ( 4134 PWs) bands (ev): -52.9198 -52.9198 -52.9141 -52.9141 -27.4036 -27.4036 -27.3421 -27.3421 -26.6664 -26.6664 -26.5989 -26.5989 -26.3508 -26.3508 -26.2422 -26.2422 2.5543 2.5543 2.6300 2.6300 6.9461 6.9461 7.3365 7.3365 8.1645 8.1645 8.4879 8.4879 8.5948 8.5948 8.7337 8.7337 9.5244 9.5244 9.8961 9.8961 10.1277 10.1277 10.2016 10.2016 10.4226 10.4226 10.7754 10.7754 12.2931 12.2931 12.3138 12.3138 12.7401 12.7401 k = 0.5000 0.1832 1.2346 ( 4132 PWs) bands (ev): -52.9206 -52.9206 -52.9134 -52.9134 -27.4025 -27.4025 -27.3410 -27.3410 -26.6653 -26.6653 -26.5973 -26.5973 -26.3533 -26.3533 -26.2443 -26.2443 2.5529 2.5529 2.6232 2.6232 6.9129 6.9129 7.3554 7.3554 8.1257 8.1257 8.4891 8.4891 8.5881 8.5881 8.7519 8.7519 9.5551 9.5551 9.9007 9.9007 10.1206 10.1206 10.2236 10.2236 10.4477 10.4477 10.7335 10.7335 12.3067 12.3067 12.3361 12.3361 12.7258 12.7258 k = 0.5000 0.1832 1.2104 ( 4132 PWs) bands (ev): -52.9214 -52.9214 -52.9126 -52.9126 -27.4012 -27.4012 -27.3398 -27.3398 -26.6641 -26.6641 -26.5956 -26.5956 -26.3562 -26.3562 -26.2465 -26.2465 2.5509 2.5509 2.6149 2.6149 6.8806 6.8806 7.3763 7.3763 8.0817 8.0817 8.4903 8.4903 8.5855 8.5855 8.7667 8.7667 9.5865 9.5865 9.9058 9.9058 10.1137 10.1137 10.2493 10.2493 10.4758 10.4758 10.6892 10.6892 12.3214 12.3214 12.3571 12.3571 12.7080 12.7080 k = 0.5000 0.1832 1.1862 ( 4132 PWs) bands (ev): -52.9223 -52.9223 -52.9118 -52.9118 -27.4000 -27.4000 -27.3384 -27.3384 -26.6629 -26.6629 -26.5936 -26.5936 -26.3595 -26.3595 -26.2488 -26.2488 2.5482 2.5482 2.6050 2.6050 6.8501 6.8501 7.3991 7.3991 8.0335 8.0335 8.4917 8.4917 8.5870 8.5870 8.7772 8.7772 9.6184 9.6184 9.9116 9.9116 10.1071 10.1071 10.2789 10.2789 10.5069 10.5069 10.6432 10.6432 12.3374 12.3374 12.3751 12.3751 12.6866 12.6866 k = 0.5000 0.1832 1.1620 ( 4136 PWs) bands (ev): -52.9233 -52.9233 -52.9108 -52.9108 -27.3989 -27.3989 -27.3368 -27.3368 -26.6615 -26.6615 -26.5914 -26.5914 -26.3632 -26.3632 -26.2511 -26.2511 2.5446 2.5446 2.5934 2.5934 6.8221 6.8221 7.4237 7.4237 7.9820 7.9820 8.4932 8.4932 8.5923 8.5923 8.7826 8.7826 9.6506 9.6506 9.9180 9.9180 10.1010 10.1010 10.3123 10.3123 10.5410 10.5410 10.5958 10.5958 12.3545 12.3545 12.3885 12.3885 12.6615 12.6615 k = 0.5000 0.1832 1.1378 ( 4130 PWs) bands (ev): -52.9243 -52.9243 -52.9098 -52.9098 -27.3977 -27.3977 -27.3350 -27.3350 -26.6600 -26.6600 -26.5890 -26.5890 -26.3672 -26.3672 -26.2535 -26.2535 2.5400 2.5400 2.5799 2.5799 6.7972 6.7972 7.4502 7.4502 7.9284 7.9284 8.4948 8.4948 8.6012 8.6012 8.7822 8.7822 9.6828 9.6828 9.9252 9.9252 10.0952 10.0952 10.3497 10.3497 10.5464 10.5464 10.5792 10.5792 12.3720 12.3720 12.3956 12.3956 12.6328 12.6328 k = 0.5000 0.1832 1.1136 ( 4122 PWs) bands (ev): -52.9255 -52.9255 -52.9088 -52.9088 -27.3967 -27.3967 -27.3330 -27.3330 -26.6585 -26.6585 -26.5863 -26.5863 -26.3716 -26.3716 -26.2558 -26.2558 2.5343 2.5343 2.5643 2.5643 6.7760 6.7760 7.4783 7.4783 7.8737 7.8737 8.4968 8.4968 8.6135 8.6135 8.7759 8.7759 9.7149 9.7149 9.9332 9.9332 10.0895 10.0895 10.3910 10.3910 10.4979 10.4979 10.6191 10.6191 12.3822 12.3822 12.4014 12.4014 12.6008 12.6008 k = 0.5000 0.1832 1.0894 ( 4104 PWs) bands (ev): -52.9266 -52.9266 -52.9076 -52.9076 -27.3957 -27.3957 -27.3308 -27.3308 -26.6570 -26.6570 -26.5835 -26.5835 -26.3764 -26.3764 -26.2581 -26.2581 2.5272 2.5272 2.5466 2.5466 6.7589 6.7589 7.5081 7.5081 7.8187 7.8187 8.4990 8.4990 8.6288 8.6288 8.7636 8.7636 9.7471 9.7471 9.9421 9.9421 10.0834 10.0834 10.4358 10.4358 10.4493 10.4493 10.6623 10.6623 12.3689 12.3690 12.4191 12.4191 12.5658 12.5658 k = 0.5000 0.1832 1.0651 ( 4100 PWs) bands (ev): -52.9279 -52.9279 -52.9064 -52.9064 -27.3949 -27.3949 -27.3284 -27.3284 -26.6553 -26.6553 -26.5804 -26.5804 -26.3815 -26.3815 -26.2604 -26.2604 2.5186 2.5186 2.5265 2.5265 6.7463 6.7463 7.5392 7.5392 7.7645 7.7645 8.5014 8.5014 8.6470 8.6470 8.7456 8.7456 9.7792 9.7792 9.9519 9.9519 10.0764 10.0764 10.4011 10.4011 10.4845 10.4845 10.7084 10.7084 12.3382 12.3382 12.4412 12.4412 12.5283 12.5283 k = 0.5000 0.1832 1.0409 ( 4104 PWs) bands (ev): -52.9292 -52.9292 -52.9052 -52.9052 -27.3942 -27.3942 -27.3259 -27.3259 -26.6537 -26.6537 -26.5771 -26.5771 -26.3870 -26.3870 -26.2625 -26.2625 2.5040 2.5040 2.5085 2.5085 6.7384 6.7384 7.5715 7.5715 7.7119 7.7119 8.5041 8.5041 8.6672 8.6672 8.7229 8.7229 9.8114 9.8114 9.9628 9.9628 10.0674 10.0674 10.3549 10.3549 10.5363 10.5363 10.7573 10.7573 12.2933 12.2933 12.4650 12.4650 12.4885 12.4885 k = 0.5000 0.1832 1.0167 ( 4102 PWs) bands (ev): -52.9306 -52.9306 -52.9039 -52.9039 -27.3936 -27.3936 -27.3231 -27.3231 -26.6521 -26.6521 -26.5736 -26.5736 -26.3928 -26.3928 -26.2645 -26.2645 2.4792 2.4792 2.4964 2.4964 6.7352 6.7352 7.6032 7.6032 7.6631 7.6631 8.5071 8.5071 8.6809 8.6809 8.7044 8.7044 9.8437 9.8437 9.9749 9.9749 10.0552 10.0552 10.3116 10.3116 10.5911 10.5911 10.8089 10.8089 12.2373 12.2373 12.4465 12.4465 12.4903 12.4903 k = 0.5000 0.1832 0.9925 ( 4110 PWs) bands (ev): -52.9320 -52.9320 -52.9025 -52.9025 -27.3933 -27.3933 -27.3202 -27.3202 -26.6504 -26.6504 -26.5698 -26.5698 -26.3990 -26.3990 -26.2664 -26.2664 2.4519 2.4519 2.4826 2.4826 6.7369 6.7369 7.6041 7.6041 7.6491 7.6491 8.5100 8.5100 8.6564 8.6564 8.7227 8.7227 9.8764 9.8764 9.9882 9.9882 10.0383 10.0383 10.2727 10.2727 10.6486 10.6486 10.8632 10.8632 12.1737 12.1737 12.4030 12.4030 12.5167 12.5167 k = 0.5000 0.1832 0.9683 ( 4122 PWs) bands (ev): -52.9335 -52.9335 -52.9011 -52.9011 -27.3930 -27.3930 -27.3172 -27.3172 -26.6488 -26.6488 -26.5659 -26.5659 -26.4054 -26.4054 -26.2682 -26.2682 2.4222 2.4222 2.4667 2.4667 6.7434 6.7434 7.5625 7.5625 7.6818 7.6818 8.5123 8.5123 8.6219 8.6219 8.7509 8.7509 9.9093 9.9093 10.0029 10.0029 10.0154 10.0154 10.2395 10.2395 10.7085 10.7085 10.9199 10.9199 12.1053 12.1053 12.3579 12.3579 12.5442 12.5442 k = 0.5000 0.1832 0.9441 ( 4126 PWs) bands (ev): -52.9350 -52.9350 -52.8996 -52.8996 -27.3930 -27.3930 -27.3140 -27.3140 -26.6472 -26.6472 -26.5617 -26.5617 -26.4120 -26.4120 -26.2698 -26.2698 2.3901 2.3901 2.4488 2.4488 6.7544 6.7544 7.5213 7.5213 7.7188 7.7188 8.5120 8.5120 8.5868 8.5868 8.7821 8.7821 9.9426 9.9426 9.9860 9.9860 10.0190 10.0190 10.2125 10.2125 10.7705 10.7705 10.9790 10.9790 12.0342 12.0342 12.3116 12.3116 12.5727 12.5727 k = 0.5000 0.1832 0.9199 ( 4118 PWs) bands (ev): -52.9366 -52.9366 -52.8981 -52.8981 -27.3931 -27.3931 -27.3107 -27.3107 -26.6456 -26.6456 -26.5573 -26.5573 -26.4189 -26.4189 -26.2712 -26.2712 2.3558 2.3558 2.4286 2.4286 6.7696 6.7696 7.4836 7.4836 7.7573 7.7573 8.5018 8.5018 8.5599 8.5599 8.8157 8.8157 9.9495 9.9495 9.9779 9.9779 10.0367 10.0367 10.1912 10.1912 10.8343 10.8343 11.0403 11.0403 11.9618 11.9618 12.2643 12.2643 12.6022 12.6022 k = 0.5000 0.1832 0.8957 ( 4114 PWs) bands (ev): -52.9382 -52.9382 -52.8966 -52.8966 -27.3933 -27.3933 -27.3074 -27.3074 -26.6441 -26.6441 -26.5528 -26.5528 -26.4259 -26.4259 -26.2725 -26.2725 2.3194 2.3194 2.4063 2.4063 6.7885 6.7885 7.4500 7.4500 7.7969 7.7969 8.4730 8.4730 8.5509 8.5509 8.8515 8.8515 9.9101 9.9101 10.0123 10.0123 10.0561 10.0561 10.1741 10.1741 10.8996 10.8996 11.1036 11.1036 11.8889 11.8889 12.2161 12.2161 12.6324 12.6324 k = 0.5000 0.1832 0.8715 ( 4118 PWs) bands (ev): -52.9398 -52.9398 -52.8951 -52.8951 -27.3937 -27.3937 -27.3040 -27.3040 -26.6427 -26.6427 -26.5481 -26.5481 -26.4330 -26.4330 -26.2736 -26.2736 2.2809 2.2809 2.3818 2.3818 6.8105 6.8105 7.4208 7.4208 7.8373 7.8373 8.4338 8.4338 8.5526 8.5526 8.8892 8.8892 9.8677 9.8677 10.0477 10.0477 10.0773 10.0773 10.1597 10.1597 10.9661 10.9661 11.1688 11.1688 11.8164 11.8164 12.1674 12.1674 12.6629 12.6629 k = 0.5000 0.1832 0.8473 ( 4118 PWs) bands (ev): -52.9414 -52.9414 -52.8935 -52.8935 -27.3943 -27.3943 -27.3006 -27.3006 -26.6414 -26.6414 -26.5432 -26.5432 -26.4401 -26.4401 -26.2746 -26.2746 2.2406 2.2406 2.3551 2.3551 6.8349 6.8349 7.3965 7.3965 7.8785 7.8785 8.3924 8.3924 8.5579 8.5579 8.9286 8.9286 9.8240 9.8240 10.0831 10.0831 10.1013 10.1013 10.1470 10.1470 11.0335 11.0335 11.2356 11.2356 11.7446 11.7446 12.1183 12.1183 12.6923 12.6923 k = 0.5000 0.1832 0.8231 ( 4118 PWs) bands (ev): -52.9431 -52.9431 -52.8919 -52.8919 -27.3950 -27.3950 -27.2972 -27.2972 -26.6401 -26.6401 -26.5383 -26.5383 -26.4473 -26.4473 -26.2753 -26.2753 2.1986 2.1986 2.3262 2.3262 6.8605 6.8605 7.3770 7.3770 7.9203 7.9203 8.3520 8.3520 8.5650 8.5650 8.9694 8.9694 9.7801 9.7801 10.1155 10.1155 10.1301 10.1301 10.1364 10.1364 11.1015 11.1015 11.3038 11.3038 11.6740 11.6740 12.0690 12.0690 12.7055 12.7058 k = 0.5000 0.1832 0.7989 ( 4120 PWs) bands (ev): -52.9448 -52.9448 -52.8902 -52.8902 -27.3959 -27.3959 -27.2938 -27.2938 -26.6390 -26.6390 -26.5333 -26.5333 -26.4544 -26.4544 -26.2759 -26.2759 2.1552 2.1552 2.2953 2.2953 6.8862 6.8862 7.3626 7.3626 7.9626 7.9626 8.3143 8.3143 8.5733 8.5733 9.0113 9.0113 9.7369 9.7369 10.1218 10.1218 10.1458 10.1458 10.1683 10.1683 11.1697 11.1697 11.3731 11.3731 11.6050 11.6050 12.0197 12.0197 12.6848 12.6849 k = 0.5000 0.1832 0.7747 ( 4118 PWs) bands (ev): -52.9465 -52.9465 -52.8886 -52.8886 -27.3968 -27.3968 -27.2904 -27.2904 -26.6381 -26.6381 -26.5283 -26.5283 -26.4613 -26.4613 -26.2762 -26.2762 2.1106 2.1106 2.2624 2.2624 6.9108 6.9108 7.3533 7.3533 8.0054 8.0054 8.2809 8.2809 8.5825 8.5825 9.0540 9.0540 9.6952 9.6952 10.1104 10.1104 10.1740 10.1740 10.2089 10.2089 11.2375 11.2375 11.4431 11.4431 11.5380 11.5380 11.9705 11.9705 12.6588 12.6588 k = 0.5000 0.1832 0.7504 ( 4122 PWs) bands (ev): -52.9483 -52.9483 -52.8869 -52.8869 -27.3979 -27.3979 -27.2870 -27.2870 -26.6373 -26.6373 -26.5234 -26.5234 -26.4679 -26.4679 -26.2764 -26.2764 2.0650 2.0650 2.2276 2.2276 6.9327 6.9327 7.3491 7.3491 8.0484 8.0484 8.2534 8.2534 8.5925 8.5925 9.0971 9.0971 9.6555 9.6555 10.0984 10.0984 10.2038 10.2038 10.2521 10.2521 11.3035 11.3035 11.4738 11.4738 11.5144 11.5144 11.9218 11.9218 12.6289 12.6289 k = 0.5000 0.1832 0.7262 ( 4122 PWs) bands (ev): -52.9500 -52.9500 -52.8853 -52.8853 -27.3992 -27.3992 -27.2838 -27.2838 -26.6366 -26.6366 -26.5188 -26.5188 -26.4741 -26.4741 -26.2763 -26.2763 2.0186 2.0186 2.1912 2.1912 6.9504 6.9504 7.3499 7.3499 8.0916 8.0916 8.2331 8.2331 8.6032 8.6032 9.1401 9.1401 9.6186 9.6186 10.0862 10.0862 10.2351 10.2351 10.2976 10.2976 11.3565 11.3565 11.4252 11.4252 11.5847 11.5847 11.8736 11.8736 12.5957 12.5957 k = 0.5000 0.1832 0.7020 ( 4116 PWs) bands (ev): -52.9517 -52.9517 -52.8836 -52.8836 -27.4005 -27.4005 -27.2806 -27.2806 -26.6362 -26.6362 -26.5146 -26.5146 -26.4796 -26.4796 -26.2760 -26.2760 1.9716 1.9716 2.1533 2.1533 6.9625 6.9625 7.3557 7.3557 8.1344 8.1344 8.2214 8.2214 8.6147 8.6147 9.1825 9.1825 9.5849 9.5849 10.0738 10.0738 10.2681 10.2681 10.3455 10.3455 11.3324 11.3324 11.4550 11.4550 11.6544 11.6544 11.8267 11.8267 12.5597 12.5597 k = 0.5000 0.1832 0.6778 ( 4116 PWs) bands (ev): -52.9534 -52.9534 -52.8819 -52.8819 -27.4020 -27.4020 -27.2775 -27.2775 -26.6360 -26.6360 -26.5115 -26.5115 -26.4838 -26.4838 -26.2756 -26.2756 1.9243 1.9243 2.1140 2.1140 6.9679 6.9679 7.3664 7.3664 8.1755 8.1755 8.2203 8.2203 8.6268 8.6268 9.2239 9.2239 9.5552 9.5552 10.0613 10.0613 10.3028 10.3028 10.3962 10.3962 11.2771 11.2771 11.5174 11.5174 11.7196 11.7196 11.7845 11.7845 12.5212 12.5212 k = 0.5000 0.1832 0.6536 ( 4110 PWs) bands (ev): -52.9551 -52.9551 -52.8803 -52.8803 -27.4036 -27.4036 -27.2745 -27.2745 -26.6361 -26.6361 -26.5104 -26.5104 -26.4858 -26.4858 -26.2748 -26.2748 1.8768 1.8768 2.0737 2.0737 6.9659 6.9659 7.3819 7.3819 8.2071 8.2071 8.2374 8.2374 8.6396 8.6396 9.2637 9.2637 9.5301 9.5301 10.0490 10.0490 10.3391 10.3391 10.4498 10.4498 11.2212 11.2212 11.5818 11.5818 11.7247 11.7247 11.8024 11.8024 12.4807 12.4807 k = 0.5000 0.1832 0.6294 ( 4110 PWs) bands (ev): -52.9568 -52.9568 -52.8787 -52.8787 -27.4052 -27.4052 -27.2716 -27.2716 -26.6364 -26.6364 -26.5116 -26.5116 -26.4851 -26.4851 -26.2739 -26.2739 1.8294 1.8294 2.0325 2.0325 6.9564 6.9564 7.4019 7.4019 8.2265 8.2265 8.2746 8.2746 8.6530 8.6530 9.3013 9.3013 9.5105 9.5105 10.0369 10.0369 10.3770 10.3770 10.5065 10.5065 11.1672 11.1672 11.6438 11.6438 11.6851 11.6851 11.8662 11.8662 12.4385 12.4385 k = 0.5000 0.1832 0.6052 ( 4110 PWs) bands (ev): -52.9585 -52.9585 -52.8771 -52.8771 -27.4070 -27.4070 -27.2688 -27.2688 -26.6370 -26.6370 -26.5146 -26.5146 -26.4825 -26.4825 -26.2727 -26.2727 1.7823 1.7823 1.9906 1.9906 6.9398 6.9398 7.4263 7.4263 8.2474 8.2474 8.3170 8.3170 8.6669 8.6669 9.3362 9.3362 9.4971 9.4971 10.0254 10.0254 10.4163 10.4163 10.5666 10.5666 11.1158 11.1158 11.6366 11.6366 11.7120 11.7120 11.9307 11.9307 12.3952 12.3952 k = 0.5000 0.1832 0.5810 ( 4110 PWs) bands (ev): -52.9601 -52.9601 -52.8755 -52.8755 -27.4088 -27.4088 -27.2661 -27.2661 -26.6378 -26.6378 -26.5182 -26.5182 -26.4789 -26.4789 -26.2713 -26.2713 1.7356 1.7356 1.9484 1.9484 6.9168 6.9168 7.4548 7.4548 8.2718 8.2718 8.3603 8.3603 8.6814 8.6814 9.3679 9.3679 9.4907 9.4907 10.0149 10.0149 10.4569 10.4569 10.6302 10.6302 11.0674 11.0674 11.5945 11.5945 11.7729 11.7729 11.9930 11.9930 12.3512 12.3512 k = 0.5000 0.1832 0.5568 ( 4114 PWs) bands (ev): -52.9618 -52.9618 -52.8739 -52.8739 -27.4107 -27.4107 -27.2635 -27.2635 -26.6390 -26.6390 -26.5220 -26.5220 -26.4749 -26.4749 -26.2697 -26.2697 1.6896 1.6896 1.9059 1.9059 6.8884 6.8884 7.4874 7.4874 8.2983 8.2983 8.4037 8.4037 8.6963 8.6963 9.3960 9.3960 9.4918 9.4918 10.0059 10.0059 10.4988 10.4988 10.6975 10.6975 11.0222 11.0222 11.5528 11.5528 11.8330 11.8330 12.0521 12.0521 12.3070 12.3070 k = 0.5000 0.1832 0.5326 ( 4110 PWs) bands (ev): -52.9633 -52.9633 -52.8723 -52.8723 -27.4126 -27.4126 -27.2611 -27.2611 -26.6404 -26.6404 -26.5257 -26.5257 -26.4708 -26.4708 -26.2678 -26.2678 1.6444 1.6444 1.8635 1.8635 6.8557 6.8557 7.5236 7.5236 8.3249 8.3249 8.4471 8.4471 8.7116 8.7116 9.4202 9.4202 9.5004 9.5004 9.9991 9.9991 10.5417 10.5417 10.7684 10.7684 10.9807 10.9807 11.5123 11.5123 11.8915 11.8915 12.1073 12.1073 12.2630 12.2630 k = 0.5000 0.1832 0.5084 ( 4114 PWs) bands (ev): -52.9649 -52.9649 -52.8708 -52.8708 -27.4146 -27.4146 -27.2588 -27.2588 -26.6422 -26.6422 -26.5291 -26.5291 -26.4668 -26.4668 -26.2657 -26.2657 1.6002 1.6002 1.8214 1.8214 6.8199 6.8199 7.5635 7.5635 8.3497 8.3497 8.4902 8.4902 8.7272 8.7272 9.4406 9.4406 9.5157 9.5157 9.9954 9.9954 10.5855 10.5855 10.8429 10.8429 10.9431 10.9431 11.4730 11.4730 11.9481 11.9481 12.1572 12.1572 12.2204 12.2204 k = 0.5000 0.1832 0.4842 ( 4098 PWs) bands (ev): -52.9664 -52.9664 -52.8694 -52.8694 -27.4166 -27.4166 -27.2567 -27.2567 -26.6442 -26.6442 -26.5321 -26.5321 -26.4629 -26.4629 -26.2634 -26.2634 1.5571 1.5571 1.7798 1.7798 6.7818 6.7818 7.6066 7.6066 8.3710 8.3710 8.5331 8.5331 8.7430 8.7430 9.4569 9.4569 9.5365 9.5365 9.9963 9.9963 10.6298 10.6298 10.9099 10.9099 10.9209 10.9209 11.4353 11.4353 12.0026 12.0026 12.1721 12.1721 12.2090 12.2090 k = 0.5000 0.1832 0.4600 ( 4094 PWs) bands (ev): -52.9679 -52.9679 -52.8680 -52.8680 -27.4186 -27.4186 -27.2546 -27.2546 -26.6464 -26.6464 -26.5347 -26.5347 -26.4592 -26.4592 -26.2610 -26.2610 1.5153 1.5153 1.7389 1.7389 6.7423 6.7423 7.6528 7.6528 8.3880 8.3880 8.5757 8.5757 8.7590 8.7590 9.4687 9.4687 9.5608 9.5608 10.0032 10.0032 10.6746 10.6746 10.8818 10.8818 11.0019 11.0019 11.3992 11.3992 12.0546 12.0546 12.1339 12.1339 12.2472 12.2472 k = 0.5000 0.1832 0.4357 ( 4094 PWs) bands (ev): -52.9693 -52.9693 -52.8666 -52.8666 -27.4207 -27.4207 -27.2527 -27.2527 -26.6488 -26.6488 -26.5370 -26.5370 -26.4557 -26.4557 -26.2584 -26.2584 1.4749 1.4749 1.6988 1.6988 6.7021 6.7021 7.7019 7.7019 8.4002 8.4002 8.6179 8.6179 8.7751 8.7751 9.4756 9.4756 9.5858 9.5858 10.0180 10.0180 10.7191 10.7191 10.8594 10.8594 11.0856 11.0856 11.3649 11.3649 12.0881 12.0881 12.1118 12.1118 12.2818 12.2818 k = 0.5000 0.1832 0.4115 ( 4102 PWs) bands (ev): -52.9706 -52.9706 -52.8653 -52.8653 -27.4227 -27.4227 -27.2509 -27.2509 -26.6513 -26.6513 -26.5389 -26.5389 -26.4525 -26.4525 -26.2556 -26.2556 1.4360 1.4360 1.6599 1.6599 6.6619 6.6619 7.7536 7.7536 8.4079 8.4079 8.6596 8.6596 8.7912 8.7912 9.4775 9.4775 9.6083 9.6083 10.0419 10.0419 10.7626 10.7626 10.8445 10.8445 11.1711 11.1711 11.3331 11.3331 12.0558 12.0558 12.1555 12.1555 12.3109 12.3109 k = 0.5000 0.1832 0.3873 ( 4102 PWs) bands (ev): -52.9720 -52.9720 -52.8640 -52.8640 -27.4247 -27.4247 -27.2492 -27.2492 -26.6540 -26.6540 -26.5406 -26.5406 -26.4494 -26.4494 -26.2528 -26.2528 1.3988 1.3988 1.6223 1.6223 6.6222 6.6222 7.8077 7.8077 8.4114 8.4114 8.7006 8.7006 8.8071 8.8071 9.4743 9.4743 9.6259 9.6259 10.0748 10.0748 10.8007 10.8007 10.8421 10.8421 11.2526 11.2526 11.3091 11.3091 12.0225 12.0225 12.2007 12.2007 12.3342 12.3342 k = 0.5000 0.1832 0.3631 ( 4104 PWs) bands (ev): -52.9732 -52.9732 -52.8628 -52.8628 -27.4267 -27.4267 -27.2477 -27.2477 -26.6567 -26.6567 -26.5419 -26.5419 -26.4467 -26.4467 -26.2499 -26.2499 1.3633 1.3633 1.5861 1.5861 6.5834 6.5834 7.8639 7.8639 8.4114 8.4114 8.7408 8.7408 8.8228 8.8228 9.4661 9.4661 9.6374 9.6374 10.1145 10.1145 10.8204 10.8204 10.8662 10.8662 11.2635 11.2635 11.3592 11.3592 11.9929 11.9929 12.2436 12.2436 12.3523 12.3523 k = 0.5000 0.1832 0.3389 ( 4104 PWs) bands (ev): -52.9744 -52.9744 -52.8616 -52.8616 -27.4287 -27.4287 -27.2462 -27.2462 -26.6594 -26.6594 -26.5430 -26.5430 -26.4442 -26.4442 -26.2469 -26.2469 1.3297 1.3297 1.5516 1.5516 6.5459 6.5459 7.9221 7.9221 8.4086 8.4086 8.7800 8.7800 8.8382 8.8382 9.4531 9.4531 9.6433 9.6433 10.1574 10.1574 10.8339 10.8339 10.9056 10.9056 11.2386 11.2386 11.4478 11.4478 11.9681 11.9681 12.2838 12.2838 12.3656 12.3656 k = 0.5000 0.1832 0.3147 ( 4104 PWs) bands (ev): -52.9755 -52.9755 -52.8606 -52.8606 -27.4305 -27.4305 -27.2449 -27.2449 -26.6621 -26.6621 -26.5439 -26.5439 -26.4419 -26.4419 -26.2439 -26.2439 1.2980 1.2980 1.5188 1.5188 6.5099 6.5099 7.9820 7.9820 8.4037 8.4037 8.8181 8.8181 8.8531 8.8531 9.4354 9.4354 9.6447 9.6447 10.1989 10.1989 10.8550 10.8550 10.9470 10.9470 11.2135 11.2135 11.5391 11.5391 11.9494 11.9494 12.3206 12.3206 12.3754 12.3754 k = 0.5000 0.1832 0.2905 ( 4104 PWs) bands (ev): -52.9765 -52.9765 -52.8595 -52.8595 -27.4323 -27.4323 -27.2437 -27.2437 -26.6647 -26.6647 -26.5446 -26.5446 -26.4399 -26.4399 -26.2410 -26.2410 1.2684 1.2684 1.4879 1.4879 6.4759 6.4759 8.0434 8.0434 8.3973 8.3973 8.8548 8.8548 8.8675 8.8675 9.4132 9.4132 9.6427 9.6427 10.2355 10.2355 10.8857 10.8857 10.9879 10.9879 11.1898 11.1898 11.6307 11.6307 11.9383 11.9383 12.3518 12.3518 12.3847 12.3847 k = 0.5000 0.1832 0.2663 ( 4106 PWs) bands (ev): -52.9775 -52.9775 -52.8586 -52.8586 -27.4340 -27.4340 -27.2426 -27.2426 -26.6672 -26.6672 -26.5451 -26.5451 -26.4381 -26.4381 -26.2382 -26.2382 1.2409 1.2409 1.4590 1.4590 6.4438 6.4438 8.1059 8.1059 8.3900 8.3900 8.8812 8.8812 8.8899 8.8899 9.3867 9.3867 9.6385 9.6385 10.2651 10.2651 10.9242 10.9242 11.0278 11.0278 11.1679 11.1679 11.7213 11.7213 11.9366 11.9366 12.3703 12.3703 12.4014 12.4014 k = 0.5000 0.1832 0.2421 ( 4100 PWs) bands (ev): -52.9784 -52.9784 -52.8577 -52.8577 -27.4357 -27.4357 -27.2416 -27.2416 -26.6696 -26.6696 -26.5455 -26.5455 -26.4365 -26.4365 -26.2355 -26.2355 1.2155 1.2155 1.4323 1.4323 6.4141 6.4141 8.1694 8.1694 8.3822 8.3822 8.8942 8.8942 8.9233 8.9233 9.3560 9.3560 9.6329 9.6329 10.2873 10.2873 10.9668 10.9668 11.0663 11.0663 11.1482 11.1482 11.8097 11.8097 11.9467 11.9467 12.3769 12.3769 12.4258 12.4258 k = 0.5000 0.1832 0.2179 ( 4104 PWs) bands (ev): -52.9792 -52.9792 -52.8569 -52.8569 -27.4372 -27.4372 -27.2407 -27.2407 -26.6718 -26.6718 -26.5458 -26.5458 -26.4351 -26.4351 -26.2329 -26.2329 1.1924 1.1924 1.4078 1.4078 6.3867 6.3867 8.2334 8.2334 8.3744 8.3744 8.9063 8.9063 8.9545 8.9545 9.3215 9.3215 9.6265 9.6265 10.3031 10.3031 11.0089 11.0089 11.1013 11.1013 11.1324 11.1324 11.8934 11.8934 11.9719 11.9719 12.3803 12.3803 12.4498 12.4498 k = 0.5000 0.1832 0.1937 ( 4092 PWs) bands (ev): -52.9799 -52.9799 -52.8562 -52.8562 -27.4385 -27.4385 -27.2399 -27.2399 -26.6738 -26.6738 -26.5461 -26.5461 -26.4338 -26.4338 -26.2305 -26.2305 1.1715 1.1715 1.3857 1.3857 6.3620 6.3620 8.2975 8.2975 8.3671 8.3671 8.9174 8.9174 8.9835 8.9835 9.2836 9.2836 9.6200 9.6200 10.3138 10.3138 11.0466 11.0466 11.1086 11.1086 11.1441 11.1441 11.9668 11.9668 12.0182 12.0182 12.3841 12.3841 12.4705 12.4705 k = 0.5000 0.1832 0.1695 ( 4092 PWs) bands (ev): -52.9806 -52.9806 -52.8556 -52.8556 -27.4398 -27.4398 -27.2392 -27.2392 -26.6756 -26.6756 -26.5462 -26.5462 -26.4328 -26.4328 -26.2283 -26.2283 1.1530 1.1530 1.3659 1.3659 6.3398 6.3398 8.3520 8.3520 8.3698 8.3698 8.9273 8.9273 9.0098 9.0098 9.2425 9.2425 9.6136 9.6136 10.3208 10.3208 11.0780 11.0780 11.0961 11.0961 11.1739 11.1739 12.0290 12.0290 12.0849 12.0849 12.3898 12.3898 12.4862 12.4862 k = 0.5000 0.1832 0.1452 ( 4090 PWs) bands (ev): -52.9812 -52.9812 -52.8550 -52.8550 -27.4408 -27.4408 -27.2386 -27.2386 -26.6773 -26.6773 -26.5463 -26.5463 -26.4319 -26.4319 -26.2263 -26.2263 1.1369 1.1369 1.3487 1.3487 6.3205 6.3205 8.3509 8.3509 8.4283 8.4283 8.9359 8.9359 9.0334 9.0334 9.1988 9.1988 9.6075 9.6075 10.3253 10.3253 11.0837 11.0837 11.1034 11.1034 11.2001 11.2001 12.0917 12.0917 12.1571 12.1571 12.3985 12.3985 12.4940 12.4940 k = 0.5000 0.1832 0.1210 ( 4090 PWs) bands (ev): -52.9816 -52.9816 -52.8545 -52.8545 -27.4418 -27.4418 -27.2382 -27.2382 -26.6786 -26.6786 -26.5464 -26.5464 -26.4312 -26.4312 -26.2246 -26.2246 1.1232 1.1232 1.3340 1.3340 6.3040 6.3040 8.3454 8.3454 8.4911 8.4911 8.9429 8.9429 9.0538 9.0538 9.1533 9.1533 9.6021 9.6021 10.3280 10.3280 11.0732 11.0732 11.1226 11.1226 11.2209 11.2209 12.1578 12.1578 12.2263 12.2263 12.4112 12.4112 12.4948 12.4948 k = 0.5000 0.1832 0.0968 ( 4094 PWs) bands (ev): -52.9820 -52.9820 -52.8542 -52.8542 -27.4426 -27.4426 -27.2378 -27.2378 -26.6798 -26.6798 -26.5465 -26.5465 -26.4306 -26.4306 -26.2232 -26.2232 1.1119 1.1119 1.3219 1.3219 6.2904 6.2904 8.3405 8.3405 8.5523 8.5523 8.9481 8.9481 9.0709 9.0709 9.1071 9.1071 9.5975 9.5975 10.3296 10.3296 11.0646 11.0646 11.1370 11.1370 11.2364 11.2364 12.2228 12.2228 12.2890 12.2890 12.4293 12.4293 12.4934 12.4934 k = 0.5000 0.1832 0.0726 ( 4098 PWs) bands (ev): -52.9824 -52.9824 -52.8539 -52.8539 -27.4432 -27.4432 -27.2374 -27.2374 -26.6807 -26.6807 -26.5465 -26.5465 -26.4301 -26.4301 -26.2221 -26.2221 1.1032 1.1032 1.3125 1.3125 6.2798 6.2798 8.3366 8.3366 8.6104 8.6104 8.9506 8.9506 9.0622 9.0622 9.0845 9.0845 9.5938 9.5938 10.3305 10.3305 11.0579 11.0579 11.1472 11.1472 11.2474 11.2474 12.2793 12.2793 12.3433 12.3433 12.4535 12.4535 12.4917 12.4917 k = 0.5000 0.1832 0.0484 ( 4098 PWs) bands (ev): -52.9826 -52.9826 -52.8536 -52.8536 -27.4436 -27.4436 -27.2372 -27.2372 -26.6813 -26.6813 -26.5465 -26.5465 -26.4298 -26.4298 -26.2213 -26.2213 1.0969 1.0969 1.3057 1.3057 6.2722 6.2722 8.3337 8.3337 8.6623 8.6623 8.9484 8.9484 9.0238 9.0238 9.0943 9.0943 9.5911 9.5911 10.3309 10.3309 11.0531 11.0531 11.1540 11.1540 11.2545 11.2545 12.3203 12.3203 12.3888 12.3888 12.4784 12.4784 12.4925 12.4925 k = 0.5000 0.1832 0.0242 ( 4098 PWs) bands (ev): -52.9827 -52.9827 -52.8535 -52.8535 -27.4439 -27.4439 -27.2371 -27.2371 -26.6817 -26.6817 -26.5465 -26.5465 -26.4296 -26.4296 -26.2208 -26.2208 1.0931 1.0931 1.3016 1.3016 6.2676 6.2676 8.3319 8.3319 8.7020 8.7020 8.9391 8.9391 9.0002 9.0002 9.1002 9.1002 9.5895 9.5895 10.3312 10.3312 11.0502 11.0502 11.1579 11.1579 11.2586 11.2586 12.3435 12.3435 12.4243 12.4243 12.4811 12.4811 12.5073 12.5074 k = 0.5000 0.1832-0.0000 ( 4110 PWs) bands (ev): -52.9828 -52.9828 -52.8535 -52.8535 -27.4440 -27.4440 -27.2371 -27.2371 -26.6819 -26.6819 -26.5465 -26.5465 -26.4296 -26.4296 -26.2207 -26.2207 1.0918 1.0918 1.3003 1.3003 6.2661 6.2661 8.3313 8.3313 8.7180 8.7180 8.9321 8.9321 8.9935 8.9935 9.1022 9.1022 9.5889 9.5889 10.3312 10.3312 11.0492 11.0492 11.1591 11.1591 11.2599 11.2599 12.3508 12.3508 12.4408 12.4408 12.4769 12.4769 12.5092 12.5092 k = 0.0000 0.0000 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5560 2.5560 2.6509 2.6509 7.1233 7.1233 7.2628 7.2628 8.2878 8.2878 8.4773 8.4773 8.6038 8.6038 8.6981 8.6981 9.3731 9.3731 9.8769 9.8769 10.1317 10.1317 10.1664 10.1664 10.3271 10.3271 10.9613 10.9613 12.1885 12.1885 12.2447 12.2447 12.7806 12.7806 k = 0.0227 0.0083 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5560 2.5560 2.6509 2.6509 7.1239 7.1239 7.2619 7.2619 8.2887 8.2887 8.4783 8.4783 8.6023 8.6023 8.6972 8.6972 9.3745 9.3745 9.8776 9.8776 10.1248 10.1248 10.1728 10.1728 10.3268 10.3268 10.9603 10.9603 12.1888 12.1888 12.2444 12.2444 12.7806 12.7806 k = 0.0455 0.0167 1.4532 ( 4142 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5560 2.5560 2.6509 2.6509 7.1258 7.1258 7.2595 7.2595 8.2914 8.2914 8.4809 8.4809 8.5979 8.5979 8.6944 8.6944 9.3787 9.3787 9.8798 9.8798 10.1107 10.1107 10.1854 10.1854 10.3258 10.3258 10.9573 10.9573 12.1896 12.1896 12.2436 12.2436 12.7806 12.7806 k = 0.0682 0.0250 1.4532 ( 4142 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5561 2.5561 2.6509 2.6509 7.1289 7.1289 7.2554 7.2554 8.2959 8.2959 8.4850 8.4850 8.5912 8.5912 8.6898 8.6898 9.3852 9.3852 9.8834 9.8834 10.0945 10.0945 10.1991 10.1991 10.3242 10.3242 10.9526 10.9526 12.1910 12.1910 12.2422 12.2422 12.7806 12.7806 k = 0.0909 0.0333 1.4532 ( 4140 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5561 2.5561 2.6508 2.6508 7.1331 7.1331 7.2500 7.2500 8.3020 8.3020 8.4900 8.4900 8.5829 8.5829 8.6835 8.6835 9.3935 9.3935 9.8884 9.8884 10.0775 10.0775 10.2126 10.2126 10.3218 10.3218 10.9465 10.9465 12.1929 12.1929 12.2404 12.2404 12.7806 12.7806 k = 0.1136 0.0416 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5561 2.5561 2.6508 2.6508 7.1385 7.1385 7.2432 7.2432 8.3095 8.3095 8.4948 8.4948 8.5746 8.5746 8.6756 8.6756 9.4029 9.4029 9.8948 9.8948 10.0603 10.0603 10.2257 10.2257 10.3188 10.3188 10.9396 10.9396 12.1952 12.1952 12.2381 12.2381 12.7806 12.7806 k = 0.1364 0.0500 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5562 2.5562 2.6508 2.6508 7.1448 7.1448 7.2354 7.2354 8.3181 8.3181 8.4976 8.4976 8.5685 8.5685 8.6664 8.6664 9.4126 9.4126 9.9026 9.9026 10.0430 10.0430 10.2380 10.2380 10.3151 10.3151 10.9323 10.9323 12.1979 12.1979 12.2353 12.2353 12.7806 12.7806 k = 0.1591 0.0583 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5562 2.5562 2.6507 2.6507 7.1522 7.1522 7.2267 7.2267 8.3274 8.3274 8.4965 8.4965 8.5671 8.5671 8.6560 8.6560 9.4218 9.4218 9.9117 9.9117 10.0260 10.0260 10.2496 10.2496 10.3107 10.3107 10.9253 10.9253 12.2010 12.2010 12.2323 12.2323 12.7806 12.7806 k = 0.1818 0.0666 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5562 2.5562 2.6507 2.6507 7.1603 7.1603 7.2173 7.2173 8.3367 8.3367 8.4913 8.4913 8.5713 8.5713 8.6447 8.6447 9.4298 9.4298 9.9219 9.9219 10.0094 10.0094 10.2604 10.2604 10.3056 10.3056 10.9192 10.9192 12.2043 12.2043 12.2291 12.2291 12.7806 12.7806 k = 0.2045 0.0750 1.4532 ( 4144 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5562 2.5562 2.6507 2.6507 7.1692 7.1692 7.2076 7.2076 8.3450 8.3450 8.4843 8.4843 8.5795 8.5795 8.6329 8.6329 9.4360 9.4360 9.9333 9.9333 9.9934 9.9934 10.2703 10.2703 10.2997 10.2997 10.9144 10.9144 12.2076 12.2076 12.2258 12.2258 12.7806 12.7806 k = 0.2273 0.0833 1.4532 ( 4156 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5563 2.5563 2.6506 2.6506 7.1785 7.1785 7.1976 7.1976 8.3509 8.3509 8.4785 8.4785 8.5893 8.5893 8.6214 8.6214 9.4400 9.4400 9.9454 9.9454 9.9786 9.9786 10.2794 10.2794 10.2930 10.2930 10.9113 10.9113 12.2105 12.2105 12.2229 12.2229 12.7806 12.7806 k = 0.2500 0.0916 1.4532 ( 4156 PWs) bands (ev): -52.9169 -52.9169 -52.9169 -52.9169 -27.4089 -27.4089 -27.3458 -27.3458 -26.6707 -26.6707 -26.6048 -26.6048 -26.3415 -26.3415 -26.2333 -26.2333 2.5563 2.5563 2.6506 2.6506 7.1865 7.1865 7.1895 7.1895 8.3531 8.3531 8.4764 8.4764 8.5958 8.5958 8.6144 8.6144 9.4414 9.4414 9.9547 9.9547 9.9684 9.9684 10.2855 10.2855 10.2877 10.2877 10.9102 10.9102 12.2118 12.2118 12.2215 12.2215 12.7806 12.7806 Writing output data file ZrVGe.save init_run : 0.57s CPU 0.80s WALL ( 1 calls) electrons : 500.57s CPU 505.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.21s WALL ( 1 calls) Called by electrons: c_bands : 500.56s CPU 505.15s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.08s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 355 calls) cegterg : 459.09s CPU 462.71s WALL ( 890 calls) Called by sum_band: Called by *egterg: h_psi : 359.80s CPU 362.56s WALL ( 14904 calls) s_psi : 13.87s CPU 13.81s WALL ( 14904 calls) g_psi : 0.39s CPU 0.39s WALL ( 13659 calls) cdiaghg : 92.25s CPU 93.29s WALL ( 14014 calls) cegterg:over : 10.65s CPU 10.61s WALL ( 13659 calls) cegterg:upda : 10.35s CPU 10.64s WALL ( 13659 calls) cegterg:last : 4.57s CPU 4.63s WALL ( 2271 calls) cdiaghg:chol : 5.31s CPU 5.44s WALL ( 14014 calls) cdiaghg:inve : 3.40s CPU 3.46s WALL ( 14014 calls) cdiaghg:para : 5.52s CPU 5.38s WALL ( 28028 calls) Called by h_psi: h_psi:vloc : 339.66s CPU 342.46s WALL ( 14904 calls) h_psi:vnl : 19.74s CPU 19.69s WALL ( 14904 calls) add_vuspsi : 9.15s CPU 9.07s WALL ( 14904 calls) General routines calbec : 10.55s CPU 10.58s WALL ( 14904 calls) fft : 0.06s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 287.33s CPU 289.60s WALL ( 1317112 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.53s WALL ( 710 calls) Parallel routines fft_scatter : 79.23s CPU 80.03s WALL ( 1317135 calls) PWSCF : 8m37.50s CPU 9m 2.35s WALL This run was terminated on: 19:18: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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