Program PWSCF v.5.1.1 starts on 20Jun2016 at 22:30:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgSiSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 60 16 3213 1520 224 Max 99 61 17 3216 1550 227 Sum 4729 2895 809 154305 73665 10837 bravais-lattice index = 14 lattice parameter (alat) = 12.5745 a.u. unit-cell volume = 1204.2765 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.574486 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.613281 celldm(5)= -0.613281 celldm(6)= 0.226561 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.226561 0.973997 0.000000 ) a(3) = ( -0.613281 -0.486998 0.621868 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.232610 0.804030 ) b(2) = ( 0.000000 1.026697 0.804030 ) b(3) = ( 0.000000 0.000000 1.608059 ) PseudoPot. # 1 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 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 Sb 5.00 121.76000 Sb( 1.00) Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.1132807 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4869984 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3109338 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0211587), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0423174), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0634760), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0846347), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.1057934), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.1269521), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.1481107), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1692694), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1904281), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.2115868), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.2327454), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.2539041), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.2750628), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.2962215), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.3173801), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.3385388), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.3596975), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.3808562), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.4020149), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.4231735), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.4443322), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.4654909), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.4866496), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.5078082), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.5289669), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.5501256), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.5712843), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.5924429), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.6136016), wk = 0.0036630 k( 31) = ( 0.0000000 0.0000000 0.6347603), wk = 0.0036630 k( 32) = ( 0.0000000 0.0000000 0.6559190), wk = 0.0036630 k( 33) = ( 0.0000000 0.0000000 0.6770777), wk = 0.0036630 k( 34) = ( 0.0000000 0.0000000 0.6982363), wk = 0.0036630 k( 35) = ( 0.0000000 0.0000000 0.7193950), wk = 0.0036630 k( 36) = ( 0.0000000 0.0000000 0.7405537), wk = 0.0036630 k( 37) = ( 0.0000000 0.0000000 0.7617124), wk = 0.0036630 k( 38) = ( 0.0000000 0.0000000 0.7828710), wk = 0.0036630 k( 39) = ( 0.0000000 0.0000000 0.8040297), wk = 0.0036630 k( 40) = ( 0.0000000 0.0000000 0.8040297), wk = 0.0036630 k( 41) = ( -0.0131370 0.0165435 0.8040297), wk = 0.0036630 k( 42) = ( -0.0262739 0.0330870 0.8040297), wk = 0.0036630 k( 43) = ( -0.0394109 0.0496305 0.8040297), wk = 0.0036630 k( 44) = ( -0.0525479 0.0661739 0.8040297), wk = 0.0036630 k( 45) = ( -0.0656849 0.0827174 0.8040297), wk = 0.0036630 k( 46) = ( -0.0788218 0.0992609 0.8040297), wk = 0.0036630 k( 47) = ( -0.0919588 0.1158044 0.8040297), wk = 0.0036630 k( 48) = ( -0.1050958 0.1323479 0.8040297), wk = 0.0036630 k( 49) = ( -0.1182327 0.1488914 0.8040297), wk = 0.0036630 k( 50) = ( -0.1313697 0.1654348 0.8040297), wk = 0.0036630 k( 51) = ( -0.1445067 0.1819783 0.8040297), wk = 0.0036630 k( 52) = ( -0.1576437 0.1985218 0.8040297), wk = 0.0036630 k( 53) = ( -0.1576437 0.1985218 0.8040297), wk = 0.0036630 k( 54) = ( -0.1666530 0.2098674 0.7895421), wk = 0.0036630 k( 55) = ( -0.1756624 0.2212130 0.7750545), wk = 0.0036630 k( 56) = ( -0.1846718 0.2325586 0.7605669), wk = 0.0036630 k( 57) = ( -0.1936812 0.2439041 0.7460793), wk = 0.0036630 k( 58) = ( -0.2026905 0.2552497 0.7315916), wk = 0.0036630 k( 59) = ( -0.2116999 0.2665953 0.7171040), wk = 0.0036630 k( 60) = ( -0.2207093 0.2779409 0.7026164), wk = 0.0036630 k( 61) = ( -0.2297187 0.2892864 0.6881288), wk = 0.0036630 k( 62) = ( -0.2387280 0.3006320 0.6736412), wk = 0.0036630 k( 63) = ( -0.2477374 0.3119776 0.6591536), wk = 0.0036630 k( 64) = ( -0.2567468 0.3233232 0.6446660), wk = 0.0036630 k( 65) = ( -0.2657562 0.3346687 0.6301783), wk = 0.0036630 k( 66) = ( -0.2747656 0.3460143 0.6156907), wk = 0.0036630 k( 67) = ( -0.2837749 0.3573599 0.6012031), wk = 0.0036630 k( 68) = ( -0.2927843 0.3687055 0.5867155), wk = 0.0036630 k( 69) = ( -0.3017937 0.3800510 0.5722279), wk = 0.0036630 k( 70) = ( -0.3108031 0.3913966 0.5577403), wk = 0.0036630 k( 71) = ( -0.3198125 0.4027422 0.5432527), wk = 0.0036630 k( 72) = ( -0.3288218 0.4140878 0.5287650), wk = 0.0036630 k( 73) = ( -0.3288218 0.4140878 0.5287650), wk = 0.0036630 k( 74) = ( -0.3196879 0.4025853 0.5140771), wk = 0.0036630 k( 75) = ( -0.3105540 0.3910829 0.4993892), wk = 0.0036630 k( 76) = ( -0.3014200 0.3795804 0.4847013), wk = 0.0036630 k( 77) = ( -0.2922861 0.3680780 0.4700134), wk = 0.0036630 k( 78) = ( -0.2831521 0.3565756 0.4553255), wk = 0.0036630 k( 79) = ( -0.2740182 0.3450731 0.4406375), wk = 0.0036630 k( 80) = ( -0.2648842 0.3335707 0.4259496), wk = 0.0036630 k( 81) = ( -0.2557503 0.3220683 0.4112617), wk = 0.0036630 k( 82) = ( -0.2466164 0.3105658 0.3965738), wk = 0.0036630 k( 83) = ( -0.2374824 0.2990634 0.3818859), wk = 0.0036630 k( 84) = ( -0.2283485 0.2875609 0.3671979), wk = 0.0036630 k( 85) = ( -0.2192146 0.2760585 0.3525100), wk = 0.0036630 k( 86) = ( -0.2100806 0.2645561 0.3378221), wk = 0.0036630 k( 87) = ( -0.2009467 0.2530536 0.3231342), wk = 0.0036630 k( 88) = ( -0.1918127 0.2415512 0.3084463), wk = 0.0036630 k( 89) = ( -0.1826788 0.2300488 0.2937584), wk = 0.0036630 k( 90) = ( -0.1735449 0.2185463 0.2790704), wk = 0.0036630 k( 91) = ( -0.1644109 0.2070439 0.2643825), wk = 0.0036630 k( 92) = ( -0.1552770 0.1955414 0.2496946), wk = 0.0036630 k( 93) = ( -0.1461430 0.1840390 0.2350067), wk = 0.0036630 k( 94) = ( -0.1370091 0.1725366 0.2203188), wk = 0.0036630 k( 95) = ( -0.1278752 0.1610341 0.2056309), wk = 0.0036630 k( 96) = ( -0.1187412 0.1495317 0.1909429), wk = 0.0036630 k( 97) = ( -0.1096073 0.1380293 0.1762550), wk = 0.0036630 k( 98) = ( -0.1004733 0.1265268 0.1615671), wk = 0.0036630 k( 99) = ( -0.0913394 0.1150244 0.1468792), wk = 0.0036630 k( 100) = ( -0.0822055 0.1035219 0.1321913), wk = 0.0036630 k( 101) = ( -0.0730715 0.0920195 0.1175033), wk = 0.0036630 k( 102) = ( -0.0639376 0.0805171 0.1028154), wk = 0.0036630 k( 103) = ( -0.0548036 0.0690146 0.0881275), wk = 0.0036630 k( 104) = ( -0.0456697 0.0575122 0.0734396), wk = 0.0036630 k( 105) = ( -0.0365358 0.0460098 0.0587517), wk = 0.0036630 k( 106) = ( -0.0274018 0.0345073 0.0440638), wk = 0.0036630 k( 107) = ( -0.0182679 0.0230049 0.0293758), wk = 0.0036630 k( 108) = ( -0.0091339 0.0115024 0.0146879), wk = 0.0036630 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 111) = ( 0.0161290 0.0128079 -0.0000000), wk = 0.0036630 k( 112) = ( 0.0322581 0.0256157 -0.0000000), wk = 0.0036630 k( 113) = ( 0.0483871 0.0384236 -0.0000000), wk = 0.0036630 k( 114) = ( 0.0645161 0.0512314 -0.0000000), wk = 0.0036630 k( 115) = ( 0.0806452 0.0640393 -0.0000000), wk = 0.0036630 k( 116) = ( 0.0967742 0.0768472 -0.0000000), wk = 0.0036630 k( 117) = ( 0.1129032 0.0896550 -0.0000000), wk = 0.0036630 k( 118) = ( 0.1290323 0.1024629 -0.0000000), wk = 0.0036630 k( 119) = ( 0.1451613 0.1152707 -0.0000000), wk = 0.0036630 k( 120) = ( 0.1612903 0.1280786 -0.0000000), wk = 0.0036630 k( 121) = ( 0.1774194 0.1408865 -0.0000000), wk = 0.0036630 k( 122) = ( 0.1935484 0.1536943 -0.0000000), wk = 0.0036630 k( 123) = ( 0.2096774 0.1665022 -0.0000000), wk = 0.0036630 k( 124) = ( 0.2258064 0.1793100 -0.0000000), wk = 0.0036630 k( 125) = ( 0.2419355 0.1921179 -0.0000000), wk = 0.0036630 k( 126) = ( 0.2580645 0.2049258 -0.0000000), wk = 0.0036630 k( 127) = ( 0.2741936 0.2177336 -0.0000000), wk = 0.0036630 k( 128) = ( 0.2903226 0.2305415 -0.0000000), wk = 0.0036630 k( 129) = ( 0.3064516 0.2433493 -0.0000000), wk = 0.0036630 k( 130) = ( 0.3225807 0.2561572 -0.0000000), wk = 0.0036630 k( 131) = ( 0.3387097 0.2689651 -0.0000000), wk = 0.0036630 k( 132) = ( 0.3548387 0.2817729 -0.0000000), wk = 0.0036630 k( 133) = ( 0.3709677 0.2945808 -0.0000000), wk = 0.0036630 k( 134) = ( 0.3870968 0.3073886 -0.0000000), wk = 0.0036630 k( 135) = ( 0.4032258 0.3201965 -0.0000000), wk = 0.0036630 k( 136) = ( 0.4193548 0.3330043 -0.0000000), wk = 0.0036630 k( 137) = ( 0.4354839 0.3458122 -0.0000000), wk = 0.0036630 k( 138) = ( 0.4516129 0.3586201 -0.0000000), wk = 0.0036630 k( 139) = ( 0.4677419 0.3714279 -0.0000000), wk = 0.0036630 k( 140) = ( 0.4838710 0.3842358 -0.0000000), wk = 0.0036630 k( 141) = ( 0.5000000 0.3970436 -0.0000000), wk = 0.0036630 k( 142) = ( 0.5000000 0.3970436 -0.0000000), wk = 0.0036630 k( 143) = ( 0.4909906 0.4083892 0.0144876), wk = 0.0036630 k( 144) = ( 0.4819813 0.4197348 0.0289752), wk = 0.0036630 k( 145) = ( 0.4729719 0.4310804 0.0434628), wk = 0.0036630 k( 146) = ( 0.4639625 0.4424259 0.0579505), wk = 0.0036630 k( 147) = ( 0.4549531 0.4537715 0.0724381), wk = 0.0036630 k( 148) = ( 0.4459437 0.4651171 0.0869257), wk = 0.0036630 k( 149) = ( 0.4369344 0.4764627 0.1014133), wk = 0.0036630 k( 150) = ( 0.4279250 0.4878083 0.1159009), wk = 0.0036630 k( 151) = ( 0.4189156 0.4991538 0.1303885), wk = 0.0036630 k( 152) = ( 0.4099062 0.5104994 0.1448761), wk = 0.0036630 k( 153) = ( 0.4008969 0.5218450 0.1593638), wk = 0.0036630 k( 154) = ( 0.3918875 0.5331906 0.1738514), wk = 0.0036630 k( 155) = ( 0.3828781 0.5445361 0.1883390), wk = 0.0036630 k( 156) = ( 0.3738687 0.5558817 0.2028266), wk = 0.0036630 k( 157) = ( 0.3648593 0.5672273 0.2173142), wk = 0.0036630 k( 158) = ( 0.3558500 0.5785729 0.2318018), wk = 0.0036630 k( 159) = ( 0.3468406 0.5899184 0.2462894), wk = 0.0036630 k( 160) = ( 0.3378312 0.6012640 0.2607771), wk = 0.0036630 k( 161) = ( 0.3288218 0.6126096 0.2752647), wk = 0.0036630 k( 162) = ( 0.3288218 0.6126096 0.2752647), wk = 0.0036630 k( 163) = ( 0.3105540 0.6070951 0.2823063), wk = 0.0036630 k( 164) = ( 0.2922861 0.6015806 0.2893480), wk = 0.0036630 k( 165) = ( 0.2740182 0.5960661 0.2963897), wk = 0.0036630 k( 166) = ( 0.2557503 0.5905516 0.3034314), wk = 0.0036630 k( 167) = ( 0.2374824 0.5850371 0.3104731), wk = 0.0036630 k( 168) = ( 0.2192146 0.5795226 0.3175147), wk = 0.0036630 k( 169) = ( 0.2009467 0.5740081 0.3245564), wk = 0.0036630 k( 170) = ( 0.1826788 0.5684936 0.3315981), wk = 0.0036630 k( 171) = ( 0.1644109 0.5629791 0.3386398), wk = 0.0036630 k( 172) = ( 0.1461430 0.5574646 0.3456814), wk = 0.0036630 k( 173) = ( 0.1278752 0.5519501 0.3527231), wk = 0.0036630 k( 174) = ( 0.1096073 0.5464356 0.3597648), wk = 0.0036630 k( 175) = ( 0.0913394 0.5409211 0.3668065), wk = 0.0036630 k( 176) = ( 0.0730715 0.5354066 0.3738481), wk = 0.0036630 k( 177) = ( 0.0548036 0.5298922 0.3808898), wk = 0.0036630 k( 178) = ( 0.0365358 0.5243777 0.3879315), wk = 0.0036630 k( 179) = ( 0.0182679 0.5188632 0.3949732), wk = 0.0036630 k( 180) = ( 0.0000000 0.5133487 0.4020149), wk = 0.0036630 k( 181) = ( 0.0000000 0.5133487 0.4020149), wk = 0.0036630 k( 182) = ( 0.0092593 0.5016884 0.4169043), wk = 0.0036630 k( 183) = ( 0.0185185 0.4900282 0.4317937), wk = 0.0036630 k( 184) = ( 0.0277778 0.4783679 0.4466832), wk = 0.0036630 k( 185) = ( 0.0370370 0.4667077 0.4615726), wk = 0.0036630 k( 186) = ( 0.0462963 0.4550474 0.4764621), wk = 0.0036630 k( 187) = ( 0.0555556 0.4433871 0.4913515), wk = 0.0036630 k( 188) = ( 0.0648148 0.4317269 0.5062409), wk = 0.0036630 k( 189) = ( 0.0740741 0.4200666 0.5211304), wk = 0.0036630 k( 190) = ( 0.0833333 0.4084064 0.5360198), wk = 0.0036630 k( 191) = ( 0.0925926 0.3967461 0.5509092), wk = 0.0036630 k( 192) = ( 0.1018518 0.3850859 0.5657987), wk = 0.0036630 k( 193) = ( 0.1111111 0.3734256 0.5806881), wk = 0.0036630 k( 194) = ( 0.1203704 0.3617654 0.5955776), wk = 0.0036630 k( 195) = ( 0.1296296 0.3501051 0.6104670), wk = 0.0036630 k( 196) = ( 0.1388889 0.3384449 0.6253564), wk = 0.0036630 k( 197) = ( 0.1481482 0.3267846 0.6402459), wk = 0.0036630 k( 198) = ( 0.1574074 0.3151244 0.6551353), wk = 0.0036630 k( 199) = ( 0.1666667 0.3034641 0.6700248), wk = 0.0036630 k( 200) = ( 0.1759259 0.2918038 0.6849142), wk = 0.0036630 k( 201) = ( 0.1851852 0.2801436 0.6998036), wk = 0.0036630 k( 202) = ( 0.1944444 0.2684834 0.7146931), wk = 0.0036630 k( 203) = ( 0.2037037 0.2568231 0.7295825), wk = 0.0036630 k( 204) = ( 0.2129630 0.2451628 0.7444720), wk = 0.0036630 k( 205) = ( 0.2222222 0.2335026 0.7593614), wk = 0.0036630 k( 206) = ( 0.2314815 0.2218423 0.7742508), wk = 0.0036630 k( 207) = ( 0.2407407 0.2101821 0.7891403), wk = 0.0036630 k( 208) = ( 0.2500000 0.1985218 0.8040297), wk = 0.0036630 k( 209) = ( 0.2500000 0.1985218 0.8040297), wk = 0.0036630 k( 210) = ( 0.2625000 0.2084479 0.7913547), wk = 0.0036630 k( 211) = ( 0.2750000 0.2183740 0.7786797), wk = 0.0036630 k( 212) = ( 0.2875000 0.2283001 0.7660047), wk = 0.0036630 k( 213) = ( 0.3000000 0.2382262 0.7533296), wk = 0.0036630 k( 214) = ( 0.3125000 0.2481523 0.7406546), wk = 0.0036630 k( 215) = ( 0.3250000 0.2580784 0.7279796), wk = 0.0036630 k( 216) = ( 0.3375000 0.2680045 0.7153046), wk = 0.0036630 k( 217) = ( 0.3500000 0.2779306 0.7026296), wk = 0.0036630 k( 218) = ( 0.3625000 0.2878566 0.6899545), wk = 0.0036630 k( 219) = ( 0.3750000 0.2977827 0.6772795), wk = 0.0036630 k( 220) = ( 0.3875000 0.3077088 0.6646045), wk = 0.0036630 k( 221) = ( 0.4000000 0.3176349 0.6519295), wk = 0.0036630 k( 222) = ( 0.4125000 0.3275610 0.6392545), wk = 0.0036630 k( 223) = ( 0.4250000 0.3374871 0.6265795), wk = 0.0036630 k( 224) = ( 0.4375000 0.3474132 0.6139044), wk = 0.0036630 k( 225) = ( 0.4500000 0.3573393 0.6012294), wk = 0.0036630 k( 226) = ( 0.4625000 0.3672654 0.5885544), wk = 0.0036630 k( 227) = ( 0.4750000 0.3771915 0.5758794), wk = 0.0036630 k( 228) = ( 0.4875000 0.3871176 0.5632044), wk = 0.0036630 k( 229) = ( 0.5000000 0.3970436 0.5505293), wk = 0.0036630 k( 230) = ( 0.5000000 0.3970436 0.5505293), wk = 0.0036630 k( 231) = ( 0.5000000 0.3970436 0.5293551), wk = 0.0036630 k( 232) = ( 0.5000000 0.3970436 0.5081809), wk = 0.0036630 k( 233) = ( 0.5000000 0.3970436 0.4870067), wk = 0.0036630 k( 234) = ( 0.5000000 0.3970436 0.4658325), wk = 0.0036630 k( 235) = ( 0.5000000 0.3970436 0.4446583), wk = 0.0036630 k( 236) = ( 0.5000000 0.3970436 0.4234841), wk = 0.0036630 k( 237) = ( 0.5000000 0.3970436 0.4023099), wk = 0.0036630 k( 238) = ( 0.5000000 0.3970436 0.3811357), wk = 0.0036630 k( 239) = ( 0.5000000 0.3970436 0.3599615), wk = 0.0036630 k( 240) = ( 0.5000000 0.3970436 0.3387873), wk = 0.0036630 k( 241) = ( 0.5000000 0.3970436 0.3176131), wk = 0.0036630 k( 242) = ( 0.5000000 0.3970436 0.2964389), wk = 0.0036630 k( 243) = ( 0.5000000 0.3970436 0.2752647), wk = 0.0036630 k( 244) = ( 0.5000000 0.3970436 0.2540905), wk = 0.0036630 k( 245) = ( 0.5000000 0.3970436 0.2329163), wk = 0.0036630 k( 246) = ( 0.5000000 0.3970436 0.2117421), wk = 0.0036630 k( 247) = ( 0.5000000 0.3970436 0.1905678), wk = 0.0036630 k( 248) = ( 0.5000000 0.3970436 0.1693936), wk = 0.0036630 k( 249) = ( 0.5000000 0.3970436 0.1482194), wk = 0.0036630 k( 250) = ( 0.5000000 0.3970436 0.1270452), wk = 0.0036630 k( 251) = ( 0.5000000 0.3970436 0.1058710), wk = 0.0036630 k( 252) = ( 0.5000000 0.3970436 0.0846968), wk = 0.0036630 k( 253) = ( 0.5000000 0.3970436 0.0635226), wk = 0.0036630 k( 254) = ( 0.5000000 0.3970436 0.0423484), wk = 0.0036630 k( 255) = ( 0.5000000 0.3970436 0.0211742), wk = 0.0036630 k( 256) = ( 0.5000000 0.3970436 -0.0000000), wk = 0.0036630 k( 257) = ( 0.0000000 0.0000000 0.8040297), wk = 0.0036630 k( 258) = ( 0.0156250 0.0124076 0.8040297), wk = 0.0036630 k( 259) = ( 0.0312500 0.0248152 0.8040297), wk = 0.0036630 k( 260) = ( 0.0468750 0.0372228 0.8040297), wk = 0.0036630 k( 261) = ( 0.0625000 0.0496305 0.8040297), wk = 0.0036630 k( 262) = ( 0.0781250 0.0620381 0.8040297), wk = 0.0036630 k( 263) = ( 0.0937500 0.0744457 0.8040297), wk = 0.0036630 k( 264) = ( 0.1093750 0.0868533 0.8040297), wk = 0.0036630 k( 265) = ( 0.1250000 0.0992609 0.8040297), wk = 0.0036630 k( 266) = ( 0.1406250 0.1116685 0.8040297), wk = 0.0036630 k( 267) = ( 0.1562500 0.1240761 0.8040297), wk = 0.0036630 k( 268) = ( 0.1718750 0.1364838 0.8040297), wk = 0.0036630 k( 269) = ( 0.1875000 0.1488914 0.8040297), wk = 0.0036630 k( 270) = ( 0.2031250 0.1612990 0.8040297), wk = 0.0036630 k( 271) = ( 0.2187500 0.1737066 0.8040297), wk = 0.0036630 k( 272) = ( 0.2343750 0.1861142 0.8040297), wk = 0.0036630 k( 273) = ( 0.2500000 0.1985218 0.8040297), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1184211), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0036630 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0036630 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0036630 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0036630 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0036630 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0036630 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0036630 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0036630 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0036630 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 41) = ( -0.0131370 0.0131370 0.5000000), wk = 0.0036630 k( 42) = ( -0.0262739 0.0262739 0.5000000), wk = 0.0036630 k( 43) = ( -0.0394109 0.0394109 0.5000000), wk = 0.0036630 k( 44) = ( -0.0525479 0.0525479 0.5000000), wk = 0.0036630 k( 45) = ( -0.0656849 0.0656849 0.5000000), wk = 0.0036630 k( 46) = ( -0.0788218 0.0788218 0.5000000), wk = 0.0036630 k( 47) = ( -0.0919588 0.0919588 0.5000000), wk = 0.0036630 k( 48) = ( -0.1050958 0.1050958 0.5000000), wk = 0.0036630 k( 49) = ( -0.1182327 0.1182327 0.5000000), wk = 0.0036630 k( 50) = ( -0.1313697 0.1313697 0.5000000), wk = 0.0036630 k( 51) = ( -0.1445067 0.1445067 0.5000000), wk = 0.0036630 k( 52) = ( -0.1576437 0.1576437 0.5000000), wk = 0.0036630 k( 53) = ( -0.1576437 0.1576437 0.5000000), wk = 0.0036630 k( 54) = ( -0.1666530 0.1666530 0.4909906), wk = 0.0036630 k( 55) = ( -0.1756624 0.1756624 0.4819813), wk = 0.0036630 k( 56) = ( -0.1846718 0.1846718 0.4729719), wk = 0.0036630 k( 57) = ( -0.1936812 0.1936812 0.4639625), wk = 0.0036630 k( 58) = ( -0.2026905 0.2026905 0.4549531), wk = 0.0036630 k( 59) = ( -0.2116999 0.2116999 0.4459437), wk = 0.0036630 k( 60) = ( -0.2207093 0.2207093 0.4369344), wk = 0.0036630 k( 61) = ( -0.2297187 0.2297187 0.4279250), wk = 0.0036630 k( 62) = ( -0.2387280 0.2387280 0.4189156), wk = 0.0036630 k( 63) = ( -0.2477374 0.2477374 0.4099062), wk = 0.0036630 k( 64) = ( -0.2567468 0.2567468 0.4008968), wk = 0.0036630 k( 65) = ( -0.2657562 0.2657562 0.3918875), wk = 0.0036630 k( 66) = ( -0.2747656 0.2747656 0.3828781), wk = 0.0036630 k( 67) = ( -0.2837749 0.2837749 0.3738687), wk = 0.0036630 k( 68) = ( -0.2927843 0.2927843 0.3648593), wk = 0.0036630 k( 69) = ( -0.3017937 0.3017937 0.3558500), wk = 0.0036630 k( 70) = ( -0.3108031 0.3108031 0.3468406), wk = 0.0036630 k( 71) = ( -0.3198125 0.3198125 0.3378312), wk = 0.0036630 k( 72) = ( -0.3288218 0.3288218 0.3288218), wk = 0.0036630 k( 73) = ( -0.3288218 0.3288218 0.3288218), wk = 0.0036630 k( 74) = ( -0.3196879 0.3196879 0.3196879), wk = 0.0036630 k( 75) = ( -0.3105540 0.3105540 0.3105540), wk = 0.0036630 k( 76) = ( -0.3014200 0.3014200 0.3014200), wk = 0.0036630 k( 77) = ( -0.2922861 0.2922861 0.2922861), wk = 0.0036630 k( 78) = ( -0.2831521 0.2831521 0.2831521), wk = 0.0036630 k( 79) = ( -0.2740182 0.2740182 0.2740182), wk = 0.0036630 k( 80) = ( -0.2648842 0.2648843 0.2648843), wk = 0.0036630 k( 81) = ( -0.2557503 0.2557503 0.2557503), wk = 0.0036630 k( 82) = ( -0.2466164 0.2466164 0.2466164), wk = 0.0036630 k( 83) = ( -0.2374824 0.2374824 0.2374824), wk = 0.0036630 k( 84) = ( -0.2283485 0.2283485 0.2283485), wk = 0.0036630 k( 85) = ( -0.2192146 0.2192146 0.2192145), wk = 0.0036630 k( 86) = ( -0.2100806 0.2100806 0.2100806), wk = 0.0036630 k( 87) = ( -0.2009467 0.2009467 0.2009467), wk = 0.0036630 k( 88) = ( -0.1918127 0.1918127 0.1918127), wk = 0.0036630 k( 89) = ( -0.1826788 0.1826788 0.1826788), wk = 0.0036630 k( 90) = ( -0.1735449 0.1735449 0.1735449), wk = 0.0036630 k( 91) = ( -0.1644109 0.1644109 0.1644109), wk = 0.0036630 k( 92) = ( -0.1552770 0.1552770 0.1552770), wk = 0.0036630 k( 93) = ( -0.1461430 0.1461430 0.1461430), wk = 0.0036630 k( 94) = ( -0.1370091 0.1370091 0.1370091), wk = 0.0036630 k( 95) = ( -0.1278752 0.1278752 0.1278752), wk = 0.0036630 k( 96) = ( -0.1187412 0.1187412 0.1187412), wk = 0.0036630 k( 97) = ( -0.1096073 0.1096073 0.1096073), wk = 0.0036630 k( 98) = ( -0.1004733 0.1004733 0.1004733), wk = 0.0036630 k( 99) = ( -0.0913394 0.0913394 0.0913394), wk = 0.0036630 k( 100) = ( -0.0822055 0.0822055 0.0822055), wk = 0.0036630 k( 101) = ( -0.0730715 0.0730715 0.0730715), wk = 0.0036630 k( 102) = ( -0.0639376 0.0639376 0.0639376), wk = 0.0036630 k( 103) = ( -0.0548036 0.0548036 0.0548036), wk = 0.0036630 k( 104) = ( -0.0456697 0.0456697 0.0456697), wk = 0.0036630 k( 105) = ( -0.0365358 0.0365358 0.0365358), wk = 0.0036630 k( 106) = ( -0.0274018 0.0274018 0.0274018), wk = 0.0036630 k( 107) = ( -0.0182679 0.0182679 0.0182679), wk = 0.0036630 k( 108) = ( -0.0091339 0.0091339 0.0091339), wk = 0.0036630 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 111) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0036630 k( 112) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0036630 k( 113) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0036630 k( 114) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0036630 k( 115) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0036630 k( 116) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0036630 k( 117) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0036630 k( 118) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0036630 k( 119) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0036630 k( 120) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0036630 k( 121) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0036630 k( 122) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0036630 k( 123) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0036630 k( 124) = ( 0.2258064 0.2258065 -0.2258065), wk = 0.0036630 k( 125) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0036630 k( 126) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0036630 k( 127) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0036630 k( 128) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0036630 k( 129) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0036630 k( 130) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0036630 k( 131) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0036630 k( 132) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0036630 k( 133) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0036630 k( 134) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0036630 k( 135) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0036630 k( 136) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0036630 k( 137) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0036630 k( 138) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0036630 k( 139) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0036630 k( 140) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0036630 k( 141) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 143) = ( 0.4909906 0.5090094 -0.4909906), wk = 0.0036630 k( 144) = ( 0.4819813 0.5180188 -0.4819813), wk = 0.0036630 k( 145) = ( 0.4729719 0.5270281 -0.4729719), wk = 0.0036630 k( 146) = ( 0.4639625 0.5360375 -0.4639625), wk = 0.0036630 k( 147) = ( 0.4549531 0.5450469 -0.4549531), wk = 0.0036630 k( 148) = ( 0.4459437 0.5540563 -0.4459437), wk = 0.0036630 k( 149) = ( 0.4369344 0.5630656 -0.4369344), wk = 0.0036630 k( 150) = ( 0.4279250 0.5720750 -0.4279250), wk = 0.0036630 k( 151) = ( 0.4189156 0.5810844 -0.4189156), wk = 0.0036630 k( 152) = ( 0.4099062 0.5900938 -0.4099062), wk = 0.0036630 k( 153) = ( 0.4008969 0.5991032 -0.4008969), wk = 0.0036630 k( 154) = ( 0.3918875 0.6081125 -0.3918875), wk = 0.0036630 k( 155) = ( 0.3828781 0.6171219 -0.3828781), wk = 0.0036630 k( 156) = ( 0.3738687 0.6261313 -0.3738687), wk = 0.0036630 k( 157) = ( 0.3648593 0.6351407 -0.3648593), wk = 0.0036630 k( 158) = ( 0.3558500 0.6441500 -0.3558500), wk = 0.0036630 k( 159) = ( 0.3468406 0.6531594 -0.3468406), wk = 0.0036630 k( 160) = ( 0.3378312 0.6621688 -0.3378312), wk = 0.0036630 k( 161) = ( 0.3288218 0.6711782 -0.3288218), wk = 0.0036630 k( 162) = ( 0.3288218 0.6711782 -0.3288218), wk = 0.0036630 k( 163) = ( 0.3105540 0.6616683 -0.3105540), wk = 0.0036630 k( 164) = ( 0.2922861 0.6521584 -0.2922861), wk = 0.0036630 k( 165) = ( 0.2740182 0.6426485 -0.2740182), wk = 0.0036630 k( 166) = ( 0.2557503 0.6331386 -0.2557503), wk = 0.0036630 k( 167) = ( 0.2374824 0.6236287 -0.2374824), wk = 0.0036630 k( 168) = ( 0.2192146 0.6141188 -0.2192146), wk = 0.0036630 k( 169) = ( 0.2009467 0.6046089 -0.2009467), wk = 0.0036630 k( 170) = ( 0.1826788 0.5950990 -0.1826788), wk = 0.0036630 k( 171) = ( 0.1644109 0.5855891 -0.1644109), wk = 0.0036630 k( 172) = ( 0.1461430 0.5760792 -0.1461430), wk = 0.0036630 k( 173) = ( 0.1278752 0.5665693 -0.1278752), wk = 0.0036630 k( 174) = ( 0.1096073 0.5570594 -0.1096073), wk = 0.0036630 k( 175) = ( 0.0913394 0.5475495 -0.0913394), wk = 0.0036630 k( 176) = ( 0.0730715 0.5380396 -0.0730715), wk = 0.0036630 k( 177) = ( 0.0548036 0.5285297 -0.0548036), wk = 0.0036630 k( 178) = ( 0.0365358 0.5190198 -0.0365358), wk = 0.0036630 k( 179) = ( 0.0182679 0.5095099 -0.0182679), wk = 0.0036630 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 182) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0036630 k( 183) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0036630 k( 184) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0036630 k( 185) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0036630 k( 186) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0036630 k( 187) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0036630 k( 188) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0036630 k( 189) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0036630 k( 190) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0036630 k( 191) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0036630 k( 192) = ( 0.1018518 0.3981482 0.1018519), wk = 0.0036630 k( 193) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0036630 k( 194) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0036630 k( 195) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0036630 k( 196) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0036630 k( 197) = ( 0.1481482 0.3518519 0.1481481), wk = 0.0036630 k( 198) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0036630 k( 199) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0036630 k( 200) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0036630 k( 201) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0036630 k( 202) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0036630 k( 203) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0036630 k( 204) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0036630 k( 205) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0036630 k( 206) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0036630 k( 207) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0036630 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 k( 210) = ( 0.2625000 0.2625000 0.2296178), wk = 0.0036630 k( 211) = ( 0.2750000 0.2750000 0.2092356), wk = 0.0036630 k( 212) = ( 0.2875000 0.2875000 0.1888535), wk = 0.0036630 k( 213) = ( 0.3000000 0.3000000 0.1684713), wk = 0.0036630 k( 214) = ( 0.3125000 0.3125000 0.1480891), wk = 0.0036630 k( 215) = ( 0.3250000 0.3250000 0.1277069), wk = 0.0036630 k( 216) = ( 0.3375000 0.3375000 0.1073247), wk = 0.0036630 k( 217) = ( 0.3500000 0.3500000 0.0869425), wk = 0.0036630 k( 218) = ( 0.3625000 0.3625000 0.0665603), wk = 0.0036630 k( 219) = ( 0.3750000 0.3750000 0.0461782), wk = 0.0036630 k( 220) = ( 0.3875000 0.3875000 0.0257960), wk = 0.0036630 k( 221) = ( 0.4000000 0.4000000 0.0054138), wk = 0.0036630 k( 222) = ( 0.4125000 0.4125000 -0.0149684), wk = 0.0036630 k( 223) = ( 0.4250000 0.4250000 -0.0353506), wk = 0.0036630 k( 224) = ( 0.4375000 0.4375000 -0.0557327), wk = 0.0036630 k( 225) = ( 0.4500000 0.4500000 -0.0761149), wk = 0.0036630 k( 226) = ( 0.4625000 0.4625000 -0.0964971), wk = 0.0036630 k( 227) = ( 0.4750000 0.4750000 -0.1168793), wk = 0.0036630 k( 228) = ( 0.4875000 0.4875000 -0.1372615), wk = 0.0036630 k( 229) = ( 0.5000000 0.5000000 -0.1576437), wk = 0.0036630 k( 230) = ( 0.5000000 0.5000000 -0.1576437), wk = 0.0036630 k( 231) = ( 0.5000000 0.5000000 -0.1708112), wk = 0.0036630 k( 232) = ( 0.5000000 0.5000000 -0.1839788), wk = 0.0036630 k( 233) = ( 0.5000000 0.5000000 -0.1971463), wk = 0.0036630 k( 234) = ( 0.5000000 0.5000000 -0.2103139), wk = 0.0036630 k( 235) = ( 0.5000000 0.5000000 -0.2234814), wk = 0.0036630 k( 236) = ( 0.5000000 0.5000000 -0.2366490), wk = 0.0036630 k( 237) = ( 0.5000000 0.5000000 -0.2498165), wk = 0.0036630 k( 238) = ( 0.5000000 0.5000000 -0.2629841), wk = 0.0036630 k( 239) = ( 0.5000000 0.5000000 -0.2761516), wk = 0.0036630 k( 240) = ( 0.5000000 0.5000000 -0.2893192), wk = 0.0036630 k( 241) = ( 0.5000000 0.5000000 -0.3024867), wk = 0.0036630 k( 242) = ( 0.5000000 0.5000000 -0.3156543), wk = 0.0036630 k( 243) = ( 0.5000000 0.5000000 -0.3288218), wk = 0.0036630 k( 244) = ( 0.5000000 0.5000000 -0.3419894), wk = 0.0036630 k( 245) = ( 0.5000000 0.5000000 -0.3551569), wk = 0.0036630 k( 246) = ( 0.5000000 0.5000000 -0.3683245), wk = 0.0036630 k( 247) = ( 0.5000000 0.5000000 -0.3814920), wk = 0.0036630 k( 248) = ( 0.5000000 0.5000000 -0.3946596), wk = 0.0036630 k( 249) = ( 0.5000000 0.5000000 -0.4078271), wk = 0.0036630 k( 250) = ( 0.5000000 0.5000000 -0.4209947), wk = 0.0036630 k( 251) = ( 0.5000000 0.5000000 -0.4341622), wk = 0.0036630 k( 252) = ( 0.5000000 0.5000000 -0.4473298), wk = 0.0036630 k( 253) = ( 0.5000000 0.5000000 -0.4604974), wk = 0.0036630 k( 254) = ( 0.5000000 0.5000000 -0.4736649), wk = 0.0036630 k( 255) = ( 0.5000000 0.5000000 -0.4868325), wk = 0.0036630 k( 256) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 258) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0036630 k( 259) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0036630 k( 260) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0036630 k( 261) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0036630 k( 262) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0036630 k( 263) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0036630 k( 264) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0036630 k( 265) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036630 k( 266) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0036630 k( 267) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0036630 k( 268) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0036630 k( 269) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0036630 k( 270) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0036630 k( 271) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0036630 k( 272) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0036630 k( 273) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 Dense grid: 154305 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 73665 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 386, 58) NL pseudopotentials 0.68 Mb ( 193, 232) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 3216) G-vector shells 0.01 Mb ( 1509) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.37 Mb ( 386, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.41 Mb ( 232, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./MgSiSb2.save/charge-density.dat negative rho (up, down): 1.678E-05 0.000E+00 Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.1 secs Computing kpt #: 2 total cpu time spent up to now is 51.2 secs Computing kpt #: 3 total cpu time spent up to now is 55.3 secs Computing kpt #: 4 total cpu time spent up to now is 59.6 secs Computing kpt #: 5 total cpu time spent up to now is 63.9 secs Computing kpt #: 6 total cpu time spent up to now is 68.1 secs Computing kpt #: 7 total cpu time spent up to now is 72.4 secs Computing kpt #: 8 total cpu time spent up to now is 76.7 secs Computing kpt #: 9 total cpu time spent up to now is 81.0 secs Computing kpt #: 10 total cpu time spent up to now is 85.5 secs Computing kpt #: 11 total cpu time spent up to now is 90.0 secs Computing kpt #: 12 total cpu time spent up to now is 94.8 secs Computing kpt #: 13 total cpu time spent up to now is 99.3 secs Computing kpt #: 14 total cpu time spent up to now is 103.9 secs Computing kpt #: 15 total cpu time spent up to now is 108.4 secs Computing kpt #: 16 total cpu time spent up to now is 113.1 secs Computing kpt #: 17 total cpu time spent up to now is 117.6 secs Computing kpt #: 18 total cpu time spent up to now is 122.1 secs Computing kpt #: 19 total cpu time spent up to now is 126.7 secs Computing kpt #: 20 total cpu time spent up to now is 131.4 secs Computing kpt #: 21 total cpu time spent up to now is 135.9 secs Computing kpt #: 22 total cpu time spent up to now is 140.7 secs Computing kpt #: 23 total cpu time spent up to now is 145.5 secs Computing kpt #: 24 total cpu time spent up to now is 150.4 secs Computing kpt #: 25 total cpu time spent up to now is 155.1 secs Computing kpt #: 26 total cpu time spent up to now is 159.8 secs Computing kpt #: 27 total cpu time spent up to now is 164.5 secs Computing kpt #: 28 total cpu time spent up to now is 169.4 secs Computing kpt 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spent up to now is 253.0 secs Computing kpt #: 45 total cpu time spent up to now is 258.1 secs Computing kpt #: 46 total cpu time spent up to now is 263.2 secs Computing kpt #: 47 total cpu time spent up to now is 268.6 secs Computing kpt #: 48 total cpu time spent up to now is 273.6 secs Computing kpt #: 49 total cpu time spent up to now is 278.6 secs Computing kpt #: 50 total cpu time spent up to now is 283.5 secs Computing kpt #: 51 total cpu time spent up to now is 288.7 secs Computing kpt #: 52 total cpu time spent up to now is 293.5 secs Computing kpt #: 53 total cpu time spent up to now is 298.9 secs Computing kpt #: 54 total cpu time spent up to now is 303.7 secs Computing kpt #: 55 total cpu time spent up to now is 309.3 secs Computing kpt #: 56 total cpu time spent up to now is 314.2 secs Computing kpt #: 57 total cpu time spent up to now is 319.6 secs Computing kpt #: 58 total cpu time spent up to now is 324.9 secs Computing kpt #: 59 total cpu time spent up to now is 329.9 secs Computing kpt #: 60 total cpu time spent up to now is 335.3 secs Computing kpt #: 61 total cpu time spent up to now is 340.3 secs Computing kpt #: 62 total cpu time spent up to now is 345.2 secs Computing kpt #: 63 total cpu time spent up to now is 350.0 secs Computing kpt #: 64 total cpu time spent up to now is 354.6 secs Computing kpt #: 65 total cpu time spent up to now is 359.3 secs Computing kpt #: 66 total cpu time spent up to now is 364.2 secs Computing kpt #: 67 total cpu time spent up to now is 369.0 secs Computing kpt #: 68 total cpu time spent up to now is 373.9 secs Computing kpt #: 69 total cpu time spent up to now is 378.8 secs Computing kpt #: 70 total cpu time spent up to now is 383.9 secs Computing kpt #: 71 total cpu time spent up to now is 389.0 secs Computing kpt #: 72 total cpu time spent up to now is 394.2 secs Computing kpt #: 73 total cpu time spent up to now is 399.5 secs Computing kpt #: 74 total cpu time spent up to now is 404.6 secs Computing kpt #: 75 total cpu time spent up to now is 409.8 secs Computing kpt #: 76 total cpu time spent up to now is 414.9 secs Computing kpt #: 77 total cpu time spent up to now is 420.1 secs Computing kpt #: 78 total cpu time spent up to now is 425.3 secs Computing kpt #: 79 total cpu time spent up to now is 430.3 secs Computing kpt #: 80 total cpu time spent up to now is 435.5 secs Computing kpt #: 81 total cpu time spent up to now is 440.3 secs Computing kpt #: 82 total cpu time spent up to now is 445.2 secs Computing kpt #: 83 total cpu time spent up to now is 449.9 secs Computing kpt #: 84 total cpu time spent up to now is 454.9 secs Computing kpt #: 85 total cpu time spent up to now is 460.1 secs Computing kpt #: 86 total cpu time spent up to now is 465.3 secs Computing kpt #: 87 total cpu time spent up to now is 470.0 secs Computing kpt #: 88 total cpu time spent up to now is 474.7 secs Computing kpt #: 89 total cpu time spent up to now is 479.3 secs Computing kpt #: 90 total cpu time spent up to now is 483.8 secs Computing kpt #: 91 total cpu time spent up to now is 488.2 secs Computing kpt #: 92 total cpu time spent up to now is 492.6 secs Computing kpt #: 93 total cpu time spent up to now is 497.1 secs Computing kpt #: 94 total cpu time spent up to now is 502.2 secs Computing kpt #: 95 total cpu time spent up to now is 506.8 secs Computing kpt #: 96 total cpu time spent up to now is 511.9 secs Computing kpt #: 97 total cpu time spent up to now is 517.2 secs Computing kpt #: 98 total cpu time spent up to now is 522.5 secs Computing kpt #: 99 total cpu time spent up to now is 529.6 secs Computing kpt #: 100 total cpu time spent up to now is 535.1 secs Computing kpt #: 101 total cpu time spent up to now is 539.6 secs Computing kpt #: 102 total cpu time spent up to now is 544.2 secs Computing kpt #: 103 total cpu time spent up to now is 548.6 secs Computing kpt #: 104 total cpu time spent up to now is 552.8 secs Computing kpt #: 105 total cpu time spent up to now is 557.0 secs Computing kpt #: 106 total cpu time spent up to now is 561.0 secs Computing kpt #: 107 total cpu time spent up to now is 565.2 secs Computing kpt #: 108 total cpu time spent up to now is 569.3 secs Computing kpt #: 109 total cpu time spent up to now is 573.1 secs Computing kpt #: 110 total cpu time spent up to now is 577.0 secs Computing kpt #: 111 total cpu time spent up to now is 581.0 secs Computing kpt #: 112 total cpu time spent up to now is 585.2 secs Computing kpt #: 113 total cpu time spent up to now is 589.6 secs Computing kpt #: 114 total cpu time spent up to now is 593.9 secs Computing kpt #: 115 total cpu time spent up to now is 598.1 secs Computing kpt #: 116 total cpu time spent up to now is 602.3 secs Computing kpt #: 117 total cpu time spent up to now is 606.2 secs Computing kpt #: 118 total cpu time spent up to now is 610.5 secs Computing kpt #: 119 total cpu time spent up to now is 614.5 secs Computing kpt #: 120 total cpu time spent up to now is 618.6 secs Computing kpt #: 121 total cpu time spent up to now is 622.5 secs Computing kpt #: 122 total cpu time spent up to now is 626.6 secs Computing kpt #: 123 total cpu time spent up to now is 630.7 secs Computing kpt #: 124 total cpu time spent up to now is 635.1 secs Computing kpt #: 125 total cpu time spent up to now is 639.4 secs Computing kpt #: 126 total cpu time spent up to now is 643.5 secs Computing kpt #: 127 total cpu time spent up to now is 647.8 secs Computing kpt #: 128 total cpu time spent up to now is 652.3 secs Computing kpt #: 129 total cpu time spent up to now is 656.6 secs Computing kpt #: 130 total cpu time spent up to now is 660.9 secs Computing kpt #: 131 total cpu time spent up to now is 665.3 secs Computing kpt #: 132 total cpu time spent up to now is 669.7 secs Computing kpt #: 133 total cpu time spent up to now is 674.1 secs Computing kpt #: 134 total cpu time spent up to now is 678.4 secs Computing kpt #: 135 total cpu time spent up to now is 683.2 secs Computing kpt #: 136 total cpu time spent up to now is 688.0 secs Computing kpt #: 137 total cpu time spent up to now is 692.7 secs Computing kpt #: 138 total cpu time spent up to now is 697.2 secs Computing kpt #: 139 total cpu time spent up to now is 701.9 secs Computing kpt #: 140 total cpu time spent up to now is 707.0 secs Computing kpt #: 141 total cpu time spent up to now is 711.1 secs Computing kpt #: 142 total cpu time spent up to now is 715.3 secs Computing kpt #: 143 total cpu time spent up to now is 720.4 secs Computing kpt #: 144 total cpu time spent up to now is 725.4 secs Computing kpt #: 145 total cpu time spent up to now is 730.5 secs Computing kpt #: 146 total cpu time spent up to now is 735.8 secs Computing kpt #: 147 total cpu time spent up to now is 741.0 secs Computing kpt #: 148 total cpu time spent up to now is 746.3 secs Computing kpt #: 149 total cpu time spent up to now is 751.5 secs Computing kpt #: 150 total cpu time spent up to now is 756.6 secs Computing kpt #: 151 total cpu time spent up to now is 761.9 secs Computing kpt #: 152 total cpu time spent up to now is 767.0 secs Computing kpt #: 153 total cpu time spent up to now is 772.3 secs Computing kpt #: 154 total cpu time spent up to now is 777.7 secs Computing kpt #: 155 total cpu time spent up to now is 783.2 secs Computing kpt #: 156 total cpu time spent up to now is 788.5 secs Computing kpt #: 157 total cpu time spent up to now is 793.6 secs Computing kpt #: 158 total cpu time spent up to now is 798.4 secs Computing kpt #: 159 total cpu time spent up to now is 803.3 secs Computing kpt #: 160 total cpu time spent up to now is 808.3 secs Computing kpt #: 161 total cpu time spent up to now is 813.4 secs Computing kpt #: 162 total cpu time spent up to now is 818.6 secs Computing kpt #: 163 total cpu time spent up to now is 823.8 secs Computing kpt #: 164 total cpu time spent up to now is 831.4 secs Computing kpt #: 165 total cpu time spent up to now is 836.8 secs Computing kpt #: 166 total cpu time spent up to now is 842.1 secs Computing kpt #: 167 total cpu time spent up to now is 847.4 secs Computing kpt #: 168 total cpu time spent up to now is 852.2 secs Computing kpt #: 169 total cpu time spent up to now is 857.1 secs Computing kpt #: 170 total cpu time spent up to now is 862.0 secs Computing kpt #: 171 total cpu time spent up to now is 866.9 secs Computing kpt #: 172 total cpu time spent up to now is 871.8 secs Computing kpt #: 173 total cpu time spent up to now is 876.9 secs Computing kpt #: 174 total cpu time spent up to now is 882.3 secs Computing kpt #: 175 total cpu time spent up to now is 887.3 secs Computing kpt #: 176 total cpu time spent up to now is 892.3 secs Computing kpt #: 177 total cpu time spent up to now is 897.2 secs Computing kpt #: 178 total cpu time spent up to now is 902.1 secs Computing kpt #: 179 total cpu time spent up to now is 907.4 secs Computing kpt #: 180 total cpu time spent up to now is 912.8 secs Computing kpt #: 181 total cpu time spent up to now is 918.1 secs Computing kpt #: 182 total cpu time spent up to now is 923.6 secs Computing kpt #: 183 total cpu time spent up to now is 929.1 secs Computing kpt #: 184 total cpu time spent up to now is 934.8 secs Computing kpt #: 185 total cpu time spent up to now is 940.3 secs Computing kpt #: 186 total cpu time spent up to now is 945.6 secs Computing kpt #: 187 total cpu time spent up to now is 951.0 secs Computing kpt #: 188 total cpu time spent up to now is 956.3 secs Computing kpt #: 189 total cpu time spent up to now is 961.3 secs Computing kpt #: 190 total cpu time spent up to now is 966.2 secs Computing kpt #: 191 total cpu time spent up to now is 971.0 secs Computing kpt #: 192 total cpu time spent up to now is 975.7 secs Computing kpt #: 193 total cpu time spent up to now is 980.4 secs Computing kpt #: 194 total cpu time spent up to now is 985.2 secs Computing kpt #: 195 total cpu time spent up to now is 990.1 secs Computing kpt #: 196 total cpu time spent up to now is 995.1 secs Computing kpt #: 197 total cpu time spent up to now is 1001.3 secs Computing kpt #: 198 total cpu time spent up to now is 1007.6 secs Computing kpt #: 199 total cpu time spent up to now is 1012.9 secs Computing kpt #: 200 total cpu time spent up to now is 1018.1 secs Computing kpt #: 201 total cpu time spent up to now is 1023.9 secs Computing kpt #: 202 total cpu time spent up to now is 1028.5 secs Computing kpt #: 203 total cpu time spent up to now is 1033.0 secs Computing kpt #: 204 total cpu time spent up to now is 1038.1 secs Computing kpt #: 205 total cpu time spent up to now is 1043.4 secs Computing kpt #: 206 total cpu time spent up to now is 1049.1 secs Computing kpt #: 207 total cpu time spent up to now is 1055.0 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1062.9 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1070.5 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1078.4 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1086.3 secs Computing kpt #: 212 total cpu time spent up to now is 1092.9 secs Computing kpt #: 213 total cpu time spent up to now is 1098.8 secs Computing kpt #: 214 total cpu time spent up to now is 1105.0 secs Computing kpt #: 215 total cpu time spent up to now is 1111.0 secs Computing kpt #: 216 total cpu time spent up to now is 1116.4 secs Computing kpt #: 217 total cpu time spent up to now is 1121.8 secs Computing kpt #: 218 total cpu time spent up to now is 1127.9 secs Computing kpt #: 219 total cpu time spent up to now is 1133.3 secs Computing kpt #: 220 total cpu time spent up to now is 1138.8 secs Computing kpt #: 221 total cpu time spent up to now is 1144.1 secs Computing kpt #: 222 total cpu time spent up to now is 1149.5 secs Computing kpt #: 223 total cpu time spent up to now is 1154.8 secs Computing kpt #: 224 total cpu time spent up to now is 1160.1 secs Computing kpt #: 225 total cpu time spent up to now is 1165.5 secs Computing kpt #: 226 total cpu time spent up to now is 1170.8 secs Computing kpt #: 227 total cpu time spent up to now is 1175.6 secs Computing kpt #: 228 total cpu time spent up to now is 1180.5 secs Computing kpt #: 229 total cpu time spent up to now is 1185.4 secs Computing kpt #: 230 total cpu time spent up to now is 1190.2 secs Computing kpt #: 231 total cpu time spent up to now is 1195.1 secs Computing kpt #: 232 total cpu time spent up to now is 1200.0 secs Computing kpt #: 233 total cpu time spent up to now is 1205.5 secs Computing kpt #: 234 total cpu time spent up to now is 1210.6 secs Computing kpt #: 235 total cpu time spent up to now is 1215.4 secs Computing kpt #: 236 total cpu time spent up to now is 1220.4 secs Computing kpt #: 237 total cpu time spent up to now is 1225.4 secs Computing kpt #: 238 total cpu time spent up to now is 1230.4 secs Computing kpt #: 239 total cpu time spent up to now is 1235.7 secs Computing kpt #: 240 total cpu time spent up to now is 1240.7 secs Computing kpt #: 241 total cpu time spent up to now is 1245.9 secs Computing kpt #: 242 total cpu time spent up to now is 1251.1 secs Computing kpt #: 243 total cpu time spent up to now is 1256.5 secs Computing kpt #: 244 total cpu time spent up to now is 1261.3 secs Computing kpt #: 245 total cpu time spent up to now is 1266.8 secs Computing kpt #: 246 total cpu time spent up to now is 1271.6 secs Computing kpt #: 247 total cpu time spent up to now is 1276.7 secs Computing kpt #: 248 total cpu time spent up to now is 1281.6 secs Computing kpt #: 249 total cpu time spent up to now is 1286.4 secs Computing kpt #: 250 total cpu time spent up to now is 1291.3 secs Computing kpt #: 251 total cpu time spent up to now is 1296.0 secs Computing kpt #: 252 total cpu time spent up to now is 1300.7 secs Computing kpt #: 253 total cpu time spent up to now is 1305.7 secs Computing kpt #: 254 total cpu time spent up to now is 1311.0 secs Computing kpt #: 255 total cpu time spent up to now is 1316.3 secs Computing kpt #: 256 total cpu time spent up to now is 1320.4 secs Computing kpt #: 257 total cpu time spent up to now is 1325.5 secs Computing kpt #: 258 total cpu time spent up to now is 1330.7 secs Computing kpt #: 259 total cpu time spent up to now is 1335.8 secs Computing kpt #: 260 total cpu time spent up to now is 1341.0 secs Computing kpt #: 261 total cpu time spent up to now is 1346.2 secs Computing kpt #: 262 total cpu time spent up to now is 1351.5 secs Computing kpt #: 263 total cpu time spent up to now is 1357.0 secs Computing kpt #: 264 total cpu time spent up to now is 1362.2 secs Computing kpt #: 265 total cpu time spent up to now is 1367.7 secs Computing kpt #: 266 total cpu time spent up to now is 1372.9 secs Computing kpt #: 267 total cpu time spent up to now is 1378.7 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1386.5 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1394.2 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1402.0 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1409.7 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1417.5 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1425.6 secs ethr = 2.08E-11, avg # of iterations = 42.8 total cpu time spent up to now is 1425.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9229 PWs) bands (ev): -68.0521 -68.0521 -68.0519 -68.0519 -34.9963 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8726 -5.8726 -2.1754 -2.1754 -2.1740 -2.1740 -2.0660 -2.0660 -2.0054 -2.0054 1.6968 1.6968 2.3454 2.3454 2.4056 2.4056 2.7011 2.7011 3.5733 3.5733 3.7418 3.7418 5.0611 5.0611 5.2556 5.2556 6.8975 6.8975 7.5508 7.5508 7.7903 7.7903 7.8296 7.8296 8.8104 8.8104 10.3759 10.3759 10.4497 10.4497 10.4783 10.4783 k = 0.0000 0.0000 0.0212 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8717 -5.8714 -2.2180 -2.2070 -2.1757 -2.1754 -2.0347 -2.0253 -2.0051 -2.0038 1.6796 1.7045 2.3258 2.3618 2.3936 2.4289 2.6866 2.7245 3.5728 3.5728 3.7364 3.7525 5.0547 5.0666 5.2524 5.2574 6.8885 6.8964 7.5439 7.5444 7.7791 7.7887 7.8354 7.8355 8.8141 8.8213 10.3729 10.3812 10.4482 10.4555 10.4784 10.4827 k = 0.0000 0.0000 0.0423 ( 9235 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9952 -34.9952 -34.7172 -34.7171 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8688 -5.8682 -2.2851 -2.2718 -2.1795 -2.1795 -2.0099 -2.0096 -1.9661 -1.9538 1.6548 1.7014 2.3110 2.3714 2.3878 2.4634 2.6828 2.7555 3.5707 3.5712 3.7367 3.7684 5.0466 5.0716 5.2493 5.2575 6.8691 6.8854 7.5232 7.5259 7.7561 7.7745 7.8521 7.8525 8.8325 8.8471 10.3694 10.3892 10.4497 10.4634 10.4872 10.4919 k = 0.0000 0.0000 0.0635 ( 9239 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9952 -34.9952 -34.7172 -34.7171 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8638 -5.8629 -2.3563 -2.3422 -2.1861 -2.1859 -2.0121 -2.0115 -1.8952 -1.8828 1.6238 1.6867 2.3050 2.3770 2.3858 2.5026 2.6921 2.7931 3.5664 3.5682 3.7430 3.7891 5.0358 5.0762 5.2482 5.2570 6.8383 6.8644 7.4889 7.4972 7.7233 7.7485 7.8782 7.8795 8.8661 8.8878 10.3638 10.3968 10.4540 10.4685 10.5083 10.5094 k = 0.0000 0.0000 0.0846 ( 9239 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8567 -5.8555 -2.4286 -2.4140 -2.1950 -2.1947 -2.0158 -2.0151 -1.8222 -1.8101 1.5880 1.6611 2.3071 2.3806 2.3889 2.5406 2.7167 2.8364 3.5590 3.5629 3.7556 3.8147 5.0223 5.0803 5.2512 5.2577 6.7957 6.8330 7.4418 7.4606 7.6832 7.7122 7.9120 7.9145 8.9151 8.9438 10.3563 10.4005 10.4610 10.4729 10.5335 10.5409 k = 0.0000 0.0000 0.1058 ( 9239 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8476 -5.8462 -2.5011 -2.4862 -2.2063 -2.2059 -2.0207 -2.0199 -1.7485 -1.7368 1.5484 1.6262 2.3129 2.3832 2.4005 2.5753 2.7568 2.8845 3.5477 3.5544 3.7746 3.8450 5.0073 5.0839 5.2594 5.2615 6.7405 6.7907 7.3834 7.4185 7.6381 7.6669 7.9514 7.9556 8.9799 9.0152 10.3480 10.3999 10.4697 10.4780 10.5663 10.5768 k = 0.0000 0.0000 0.1270 ( 9249 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7001 -34.7001 -34.6991 -34.6990 -5.8365 -5.8348 -2.5735 -2.5583 -2.2197 -2.2192 -2.0268 -2.0258 -1.6746 -1.6633 1.5058 1.5843 2.3174 2.3853 2.4244 2.6084 2.8091 2.9369 3.5318 3.5415 3.7999 3.8800 4.9928 5.0875 5.2700 5.2730 6.6731 6.7372 7.3158 7.3729 7.5902 7.6144 7.9946 8.0007 9.0603 9.1017 10.3398 10.3963 10.4797 10.4846 10.6033 10.6140 k = 0.0000 0.0000 0.1481 ( 9249 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7001 -34.7001 -34.6991 -34.6991 -5.8234 -5.8213 -2.6456 -2.6302 -2.2351 -2.2345 -2.0340 -2.0329 -1.6006 -1.5898 1.4609 1.5372 2.3188 2.3873 2.4610 2.6427 2.8694 2.9929 3.5111 3.5231 3.8315 3.9198 4.9814 5.0925 5.2833 5.2912 6.5942 6.6727 7.2410 7.3245 7.5411 7.5565 8.0400 8.0480 9.1560 9.2027 10.3322 10.3912 10.4912 10.4926 10.6413 10.6504 k = 0.0000 0.0000 0.1693 ( 9245 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7001 -34.7000 -34.6991 -34.6990 -5.8083 -5.8059 -2.7173 -2.7018 -2.2522 -2.2515 -2.0424 -2.0412 -1.5267 -1.5165 1.4142 1.4868 2.3183 2.3895 2.5079 2.6801 2.9342 3.0520 3.4861 3.4983 3.8691 3.9644 4.9756 5.1007 5.3009 5.3131 6.5059 6.5981 7.1608 7.2729 7.4920 7.4956 8.0868 8.0965 9.2660 9.3169 10.3256 10.3851 10.5023 10.5043 10.6776 10.6848 k = 0.0000 0.0000 0.1904 ( 9235 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7000 -34.7000 -34.6990 -34.6990 -5.7912 -5.7885 -2.7886 -2.7729 -2.2707 -2.2700 -2.0520 -2.0506 -1.4530 -1.4434 1.3664 1.4342 2.3174 2.3923 2.5625 2.7210 3.0004 3.1137 3.4580 3.4667 3.9125 4.0138 4.9772 5.1137 5.3214 5.3374 6.4108 6.5149 7.0765 7.2167 7.4344 7.4437 8.1344 8.1455 9.3885 9.4428 10.3199 10.3785 10.5140 10.5196 10.7101 10.7162 k = 0.0000 0.0000 0.2116 ( 9243 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9953 -34.9952 -34.7172 -34.7171 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.7721 -5.7691 -2.8593 -2.8435 -2.2906 -2.2898 -2.0627 -2.0612 -1.3796 -1.3706 1.3179 1.3804 2.3169 2.3963 2.6231 2.7652 3.0639 3.1777 3.4287 3.4307 3.9615 4.0680 4.9871 5.1327 5.3426 5.3623 6.3122 6.4261 6.9889 7.1537 7.3756 7.3965 8.1826 8.1948 9.5216 9.5780 10.3153 10.3715 10.5278 10.5377 10.7375 10.7441 k = 0.0000 0.0000 0.2327 ( 9249 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.7512 -5.7478 -2.9296 -2.9136 -2.3115 -2.3107 -2.0746 -2.0730 -1.3066 -1.2981 1.2689 1.3262 2.3176 2.4018 2.6880 2.8115 3.1175 3.2431 3.3856 3.4120 4.0161 4.1272 5.0059 5.1582 5.3614 5.3855 6.2148 6.3353 6.8985 7.0826 7.3212 7.3506 8.2314 8.2443 9.6625 9.7198 10.3117 10.3641 10.5445 10.5596 10.7587 10.7676 k = 0.0000 0.0000 0.2539 ( 9243 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.7283 -5.7246 -2.9992 -2.9831 -2.3331 -2.3323 -2.0877 -2.0860 -1.2339 -1.2260 1.2200 1.2720 2.3199 2.4092 2.7558 2.8579 3.1489 3.3001 3.3484 3.4164 4.0759 4.1911 5.0330 5.1904 5.3733 5.4035 6.1245 6.2474 6.8059 7.0034 7.2714 7.3058 8.2809 8.2943 9.8074 9.8641 10.3091 10.3564 10.5650 10.5868 10.7727 10.7863 k = 0.0000 0.0000 0.2751 ( 9223 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.7035 -5.6995 -3.0682 -3.0520 -2.3553 -2.3544 -2.1020 -2.1002 -1.1617 -1.1544 1.1712 1.2182 2.3241 2.4188 2.8243 2.9003 3.1517 3.2752 3.3928 3.4543 4.1408 4.2599 5.0679 5.2287 5.3719 5.4114 6.0488 6.1686 6.7118 6.9173 7.2257 7.2619 8.3315 8.3451 9.9510 10.0058 10.3080 10.3481 10.5908 10.6221 10.7791 10.7994 k = 0.0000 0.0000 0.2962 ( 9219 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.6769 -5.6726 -3.1366 -3.1203 -2.3778 -2.3769 -2.1174 -2.1155 -1.0901 -1.0833 1.1230 1.1652 2.3303 2.4309 2.8908 2.9300 3.1422 3.2256 3.4650 3.5184 4.2105 4.3332 5.1095 5.2716 5.3505 5.4030 5.9964 6.1059 6.6172 6.8261 7.1826 7.2184 8.3833 8.3969 10.0847 10.1371 10.3104 10.3397 10.6248 10.6690 10.7778 10.8065 k = 0.0000 0.0000 0.3174 ( 9227 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.6485 -5.6438 -3.2044 -3.1880 -2.4004 -2.3994 -2.1339 -2.1320 -1.0190 -1.0128 1.0754 1.1132 2.3386 2.4458 2.9334 2.9485 3.1454 3.1813 3.5419 3.5973 4.2848 4.4111 5.1567 5.2904 5.3325 5.3729 5.9727 6.0651 6.5236 6.7316 7.1413 7.1752 8.4364 8.4498 10.1911 10.2466 10.3245 10.3337 10.6706 10.7317 10.7690 10.8071 k = 0.0000 0.0000 0.3385 ( 9235 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9954 -34.9952 -34.7171 -34.7169 -34.7161 -34.7159 -34.7000 -34.7000 -34.6991 -34.6991 -5.6183 -5.6133 -3.2715 -3.2550 -2.4228 -2.4218 -2.1515 -2.1496 -0.9485 -0.9428 1.0286 1.0622 2.3490 2.4636 2.9067 2.9807 3.1606 3.1713 3.6223 3.6848 4.3633 4.4933 5.2079 5.2242 5.3201 5.3801 5.9763 6.0468 6.4337 6.6351 7.1009 7.1320 8.4911 8.5042 10.2423 10.2993 10.3584 10.3687 10.7298 10.7535 10.8017 10.8095 k = 0.0000 0.0000 0.3597 ( 9223 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9954 -34.9952 -34.7171 -34.7169 -34.7161 -34.7159 -34.6999 -34.6999 -34.6991 -34.6991 -5.5864 -5.5810 -3.3380 -3.3214 -2.4449 -2.4439 -2.1702 -2.1682 -0.8788 -0.8735 0.9828 1.0125 2.3613 2.4844 2.8617 2.9694 3.1816 3.2109 3.7065 3.7780 4.4457 4.5797 5.1360 5.2419 5.2683 5.4361 6.0013 6.0438 6.3524 6.5382 7.0612 7.0887 8.5475 8.5600 10.2523 10.2939 10.4159 10.4252 10.7322 10.7812 10.8059 10.8922 k = 0.0000 0.0000 0.3809 ( 9209 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9954 -34.9952 -34.7171 -34.7169 -34.7161 -34.7159 -34.6999 -34.6999 -34.6991 -34.6991 -5.5528 -5.5470 -3.4038 -3.3872 -2.4664 -2.4654 -2.1897 -2.1878 -0.8099 -0.8049 0.9382 0.9642 2.3751 2.5083 2.8089 2.9317 3.2272 3.2548 3.7945 3.8754 4.5313 4.6698 5.0383 5.1607 5.3206 5.4948 6.0402 6.0408 6.2915 6.4420 7.0221 7.0453 8.6055 8.6174 10.2490 10.2796 10.4623 10.4704 10.7062 10.7678 10.8624 10.9632 k = 0.0000 0.0000 0.4020 ( 9207 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9955 -34.9952 -34.7171 -34.7169 -34.7161 -34.7159 -34.6999 -34.6999 -34.6991 -34.6991 -5.5176 -5.5114 -3.4691 -3.4524 -2.4872 -2.4862 -2.2102 -2.2083 -0.7418 -0.7371 0.8946 0.9173 2.3896 2.5352 2.7537 2.8881 3.2772 3.2977 3.8861 3.9759 4.6183 4.7635 4.9383 5.0692 5.3768 5.5547 6.0144 6.0898 6.2685 6.3480 6.9836 7.0019 8.6652 8.6764 10.2400 10.2619 10.4982 10.5039 10.6765 10.7447 10.9031 11.0095 k = 0.0000 0.0000 0.4232 ( 9205 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9960 -34.9955 -34.9953 -34.7171 -34.7168 -34.7161 -34.7159 -34.6999 -34.6999 -34.6991 -34.6991 -5.4808 -5.4742 -3.5337 -3.5169 -2.5072 -2.5061 -2.2315 -2.2297 -0.6747 -0.6702 0.8524 0.8719 2.4036 2.5647 2.6994 2.8471 3.3233 3.3368 3.9811 4.0787 4.6981 4.8484 4.8595 4.9766 5.4312 5.6146 5.9627 6.1431 6.2593 6.2853 6.9462 6.9589 8.7265 8.7368 10.2267 10.2410 10.5269 10.5292 10.6443 10.7173 10.9203 11.0285 k = 0.0000 0.0000 0.4443 ( 9209 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9960 -34.9955 -34.9953 -34.7171 -34.7168 -34.7162 -34.7159 -34.6999 -34.6999 -34.6992 -34.6992 -5.4424 -5.4354 -3.5977 -3.5809 -2.5261 -2.5250 -2.2534 -2.2517 -0.6086 -0.6043 0.8114 0.8279 2.4156 2.5929 2.6514 2.8133 3.3616 3.3694 4.0787 4.1827 4.6992 4.8432 4.8797 4.9644 5.4806 5.6733 5.9020 6.1559 6.2199 6.3254 6.9105 6.9166 8.7894 8.7985 10.2091 10.2167 10.5484 10.5503 10.6106 10.6868 10.9182 11.0258 k = 0.0000 0.0000 0.4655 ( 9223 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9960 -34.9955 -34.9953 -34.7171 -34.7168 -34.7162 -34.7159 -34.6999 -34.6999 -34.6992 -34.6992 -5.4025 -5.3951 -3.6611 -3.6443 -2.5438 -2.5427 -2.2759 -2.2743 -0.5437 -0.5394 0.7717 0.7855 2.4235 2.5826 2.6481 2.7902 3.3897 3.3934 4.1776 4.2863 4.6201 4.7942 4.9266 5.0650 5.5198 5.7295 5.8479 6.0828 6.2751 6.3769 6.8757 6.8774 8.8535 8.8613 10.1868 10.1884 10.5622 10.5668 10.5789 10.6546 10.9035 11.0087 k = 0.0000 0.0000 0.4866 ( 9215 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9960 -34.9956 -34.9953 -34.7170 -34.7168 -34.7162 -34.7160 -34.6998 -34.6998 -34.6992 -34.6992 -5.3612 -5.3534 -3.7239 -3.7071 -2.5602 -2.5590 -2.2989 -2.2974 -0.4802 -0.4757 0.7334 0.7446 2.4256 2.5401 2.6841 2.7806 3.4055 3.4065 4.2758 4.3857 4.5408 4.7144 5.0226 5.1691 5.5413 5.7817 5.8133 6.0111 6.3383 6.4338 6.8371 6.8480 8.9185 8.9248 10.1555 10.1592 10.5410 10.5703 10.5854 10.6218 10.8814 10.9829 k = 0.0000 0.0000 0.5078 ( 9201 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9959 -34.9956 -34.9953 -34.7170 -34.7167 -34.7162 -34.7160 -34.6998 -34.6998 -34.6992 -34.6992 -5.3186 -5.3103 -3.7862 -3.7695 -2.5752 -2.5740 -2.3221 -2.3209 -0.4180 -0.4133 0.6964 0.7051 2.4214 2.4984 2.7268 2.7854 3.4067 3.4077 4.3690 4.4348 4.5166 4.6452 5.1211 5.2744 5.5408 5.8054 5.8285 5.9490 6.4023 6.4930 6.8018 6.8236 8.9842 8.9886 10.1174 10.1255 10.5086 10.5707 10.5903 10.5938 10.8556 10.9521 k = 0.0000 0.0000 0.5290 ( 9205 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9959 -34.9956 -34.9953 -34.7170 -34.7167 -34.7163 -34.7160 -34.6998 -34.6998 -34.6992 -34.6992 -5.2746 -5.2659 -3.8480 -3.8313 -2.5887 -2.5874 -2.3456 -2.3445 -0.3574 -0.3524 0.6606 0.6670 2.4126 2.4610 2.7733 2.8037 3.3926 3.3955 4.3820 4.4426 4.5993 4.5995 5.2196 5.3790 5.5272 5.8187 5.8681 5.9002 6.4657 6.5526 6.7711 6.8057 9.0499 9.0519 10.0735 10.0852 10.4783 10.5540 10.5682 10.5934 10.8283 10.9185 k = 0.0000 0.0000 0.5501 ( 9209 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9962 -34.9959 -34.9956 -34.9953 -34.7170 -34.7167 -34.7163 -34.7160 -34.6998 -34.6998 -34.6993 -34.6993 -5.2293 -5.2202 -3.9093 -3.8926 -2.6005 -2.5991 -2.3690 -2.3681 -0.2985 -0.2931 0.6260 0.6304 2.4016 2.4290 2.8229 2.8334 3.3640 3.3690 4.3263 4.4513 4.6190 4.6881 5.3160 5.4729 5.5240 5.8410 5.8644 5.9031 6.5271 6.6108 6.7465 6.7956 9.1140 9.1147 10.0235 10.0379 10.4508 10.5249 10.5486 10.5792 10.8003 10.8835 k = 0.0000 0.0000 0.5713 ( 9205 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9962 -34.9959 -34.9957 -34.9954 -34.7169 -34.7166 -34.7163 -34.7160 -34.6997 -34.6997 -34.6993 -34.6993 -5.1829 -5.1733 -3.9701 -3.9535 -2.6106 -2.6092 -2.3923 -2.3917 -0.2415 -0.2356 0.5926 0.5949 2.3912 2.4028 2.8721 2.8752 3.3222 3.3295 4.2766 4.4079 4.6870 4.7703 5.4074 5.4969 5.5983 5.8490 5.8646 5.9291 6.5857 6.6659 6.7303 6.7945 9.1736 9.1777 9.9672 9.9837 10.4265 10.4932 10.5192 10.5447 10.7713 10.8481 k = 0.0000 0.0000 0.5924 ( 9213 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9957 -34.9954 -34.7169 -34.7166 -34.7164 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1353 -5.1253 -4.0305 -4.0140 -2.6189 -2.6175 -2.4154 -2.4149 -0.1865 -0.1799 0.5602 0.5607 2.3829 2.3833 2.9180 2.9293 3.2698 3.2789 4.2308 4.3518 4.7604 4.8440 5.4901 5.5081 5.6942 5.8530 5.8876 5.9513 6.6401 6.7061 6.7339 6.8026 9.2292 9.2372 9.9052 9.9230 10.4051 10.4495 10.4873 10.4881 10.7410 10.8128 k = 0.0000 0.0000 0.6136 ( 9209 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9958 -34.9957 -34.9954 -34.7169 -34.7166 -34.7164 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0867 -5.0762 -4.0904 -4.0740 -2.6254 -2.6240 -2.4379 -2.4377 -0.1335 -0.1264 0.5275 0.5287 2.3697 2.3796 2.9697 2.9831 3.2115 3.2197 4.1861 4.2903 4.8297 4.9088 5.5297 5.5580 5.7808 5.8768 5.9152 5.9742 6.6895 6.7132 6.7749 6.8193 9.2786 9.2912 9.8382 9.8568 10.3802 10.3885 10.4193 10.4632 10.7102 10.7780 k = 0.0000 0.0000 0.6348 ( 9201 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9958 -34.9957 -34.9954 -34.7169 -34.7165 -34.7164 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0370 -5.0262 -4.1499 -4.1337 -2.6301 -2.6286 -2.4599 -2.4599 -0.0828 -0.0750 0.4952 0.4980 2.3635 2.3809 3.0263 3.0272 3.1544 3.1596 4.1395 4.2242 4.8941 4.9664 5.5565 5.6043 5.8453 5.9183 5.9610 6.0045 6.7215 6.7335 6.8180 6.8426 9.3192 9.3367 9.7676 9.7863 10.3183 10.3199 10.3869 10.4421 10.6807 10.7438 k = 0.0000 0.0000 0.6559 ( 9189 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9958 -34.9957 -34.9954 -34.7168 -34.7165 -34.7164 -34.7161 -34.6996 -34.6996 -34.6993 -34.6993 -4.9864 -4.9751 -4.2090 -4.1929 -2.6328 -2.6313 -2.4813 -2.4811 -0.0344 -0.0259 0.4636 0.4679 2.3645 2.3881 3.0206 3.0780 3.0942 3.1572 4.0892 4.1536 4.9549 5.0189 5.5784 5.6246 5.8896 5.9737 6.0277 6.0463 6.7361 6.7724 6.8561 6.8695 9.3481 9.3701 9.6951 9.7133 10.2472 10.2552 10.3757 10.4227 10.6538 10.7106 k = 0.0000 0.0000 0.6771 ( 9177 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9954 -34.7168 -34.7165 -34.7165 -34.7161 -34.6996 -34.6996 -34.6994 -34.6993 -4.9350 -4.9232 -4.2676 -4.2518 -2.6336 -2.6321 -2.5018 -2.5014 0.0118 0.0208 0.4325 0.4381 2.3727 2.4016 2.9629 3.0124 3.1530 3.2068 4.0342 4.0793 5.0135 5.0689 5.5853 5.6211 5.9343 6.0376 6.0978 6.0983 6.7562 6.8069 6.8877 6.8966 9.3630 9.3880 9.6228 9.6398 10.1931 10.2038 10.3694 10.4035 10.6301 10.6786 k = 0.0000 0.0000 0.6982 ( 9175 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8827 -4.8705 -4.3259 -4.3103 -2.6324 -2.6309 -2.5212 -2.5207 0.0556 0.0652 0.4018 0.4086 2.3883 2.4217 2.8938 2.9409 3.2208 3.2702 3.9745 4.0019 5.0714 5.1182 5.5739 5.5997 5.9884 6.1040 6.1534 6.1618 6.7807 6.8379 6.9122 6.9207 9.3637 9.3892 9.5532 9.5684 10.1636 10.1717 10.3657 10.3834 10.6101 10.6481 k = 0.0000 0.0000 0.7194 ( 9174 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8296 -4.8171 -4.3838 -4.3685 -2.6293 -2.6278 -2.5395 -2.5388 0.0972 0.1072 0.3711 0.3790 2.4113 2.4483 2.8234 2.8702 3.2918 3.3383 3.9104 3.9225 5.1291 5.1680 5.5469 5.5661 6.0489 6.1677 6.2068 6.2126 6.8081 6.8656 6.9289 6.9396 9.3536 9.3771 9.4889 9.5015 10.1595 10.1599 10.3609 10.3627 10.5944 10.6197 k = 0.0000 0.0000 0.7406 ( 9174 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9956 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6994 -34.6994 -4.7759 -4.7629 -4.4413 -4.4262 -2.6243 -2.6228 -2.5564 -2.5555 0.1367 0.1470 0.3403 0.3491 2.4415 2.4815 2.7548 2.8016 3.3654 3.4089 3.8417 3.8429 5.1869 5.2189 5.5087 5.5245 6.1099 6.2240 6.2476 6.2528 6.8370 6.8904 6.9373 6.9517 9.3391 9.3586 9.4328 9.4421 10.1656 10.1763 10.3351 10.3574 10.5837 10.5939 k = 0.0000 0.0000 0.7617 ( 9168 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9956 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6994 -34.6994 -4.7215 -4.7081 -4.4983 -4.4835 -2.6174 -2.6160 -2.5719 -2.5708 0.1742 0.1847 0.3091 0.3185 2.4787 2.5211 2.6894 2.7363 3.4413 3.4810 3.7604 3.7727 5.2447 5.2708 5.4630 5.4778 6.1659 6.2649 6.2686 6.2876 6.8655 6.9122 6.9373 6.9564 9.3272 9.3418 9.3875 9.3927 10.1840 10.2075 10.3058 10.3452 10.5721 10.5789 k = 0.0000 0.0000 0.7829 ( 9168 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9955 -34.7167 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6665 -4.6527 -4.5548 -4.5404 -2.6086 -2.6073 -2.5858 -2.5846 0.2099 0.2205 0.2771 0.2871 2.5225 2.5668 2.6285 2.6749 3.5192 3.5541 3.6791 3.7006 5.3020 5.3233 5.4122 5.4277 6.2125 6.2642 6.2985 6.3079 6.8917 6.9291 6.9306 6.9539 9.3238 9.3333 9.3552 9.3558 10.2106 10.2465 10.2741 10.3216 10.5566 10.5629 k = 0.0000 0.0000 0.8040 ( 9184 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6109 -4.6109 -4.5968 -4.5968 -2.5981 -2.5981 -2.5968 -2.5968 0.2442 0.2442 0.2545 0.2545 2.5726 2.5726 2.6182 2.6182 3.5986 3.5986 3.6275 3.6275 5.3581 5.3581 5.3759 5.3759 6.2461 6.2461 6.3118 6.3118 6.9135 6.9135 6.9449 6.9449 9.3328 9.3328 9.3371 9.3371 10.2416 10.2416 10.2868 10.2868 10.5524 10.5524 k = 0.0000 0.0000 0.8040 ( 9184 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6109 -4.6109 -4.5968 -4.5968 -2.5981 -2.5981 -2.5968 -2.5968 0.2442 0.2442 0.2545 0.2545 2.5726 2.5726 2.6182 2.6182 3.5986 3.5986 3.6275 3.6275 5.3581 5.3581 5.3759 5.3759 6.2461 6.2461 6.3118 6.3118 6.9135 6.9135 6.9449 6.9449 9.3328 9.3328 9.3371 9.3371 10.2416 10.2416 10.2868 10.2868 10.5524 10.5524 k =-0.0131 0.0165 0.8040 ( 9168 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6111 -4.6111 -4.5970 -4.5970 -2.5986 -2.5986 -2.5972 -2.5972 0.2470 0.2470 0.2574 0.2574 2.5725 2.5725 2.6178 2.6178 3.5988 3.5988 3.6281 3.6281 5.3498 5.3498 5.3732 5.3732 6.2444 6.2444 6.3116 6.3116 6.9124 6.9124 6.9456 6.9456 9.3319 9.3319 9.3418 9.3418 10.2465 10.2465 10.2917 10.2917 10.5561 10.5561 k =-0.0263 0.0331 0.8040 ( 9172 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6117 -4.6117 -4.5977 -4.5977 -2.6000 -2.6000 -2.5985 -2.5985 0.2554 0.2554 0.2661 0.2661 2.5723 2.5723 2.6165 2.6165 3.5995 3.5995 3.6300 3.6300 5.3278 5.3278 5.3627 5.3627 6.2393 6.2393 6.3107 6.3107 6.9093 6.9093 6.9475 6.9475 9.3339 9.3339 9.3516 9.3516 10.2608 10.2608 10.3058 10.3058 10.5669 10.5669 k =-0.0394 0.0496 0.8040 ( 9192 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6128 -4.6128 -4.5988 -4.5988 -2.6023 -2.6023 -2.6005 -2.6005 0.2693 0.2693 0.2804 0.2804 2.5719 2.5719 2.6145 2.6145 3.6006 3.6006 3.6330 3.6330 5.2952 5.2952 5.3429 5.3429 6.2312 6.2312 6.3089 6.3089 6.9042 6.9042 6.9495 6.9495 9.3402 9.3402 9.3652 9.3652 10.2837 10.2837 10.3284 10.3284 10.5837 10.5837 k =-0.0525 0.0662 0.8040 ( 9202 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7167 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6142 -4.6142 -4.6003 -4.6003 -2.6053 -2.6053 -2.6032 -2.6032 0.2884 0.2884 0.3000 0.3000 2.5713 2.5713 2.6115 2.6115 3.6022 3.6022 3.6371 3.6371 5.2540 5.2540 5.3142 5.3142 6.2205 6.2205 6.3056 6.3056 6.8969 6.8969 6.9507 6.9507 9.3512 9.3512 9.3824 9.3824 10.3135 10.3135 10.3581 10.3581 10.6048 10.6048 k =-0.0657 0.0827 0.8040 ( 9200 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6161 -4.6161 -4.6024 -4.6024 -2.6088 -2.6088 -2.6064 -2.6064 0.3125 0.3125 0.3247 0.3247 2.5705 2.5705 2.6077 2.6077 3.6041 3.6041 3.6424 3.6424 5.2059 5.2059 5.2780 5.2780 6.2076 6.2076 6.3008 6.3008 6.8870 6.8870 6.9502 6.9502 9.3670 9.3670 9.4031 9.4031 10.3486 10.3486 10.3935 10.3935 10.6273 10.6273 k =-0.0788 0.0993 0.8040 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7167 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6185 -4.6185 -4.6049 -4.6049 -2.6126 -2.6126 -2.6099 -2.6099 0.3409 0.3409 0.3540 0.3540 2.5695 2.5695 2.6032 2.6032 3.6063 3.6063 3.6488 3.6488 5.1527 5.1527 5.2357 5.2357 6.1927 6.1927 6.2943 6.2943 6.8742 6.8742 6.9470 6.9470 9.3870 9.3870 9.4266 9.4266 10.3871 10.3871 10.4330 10.4330 10.6475 10.6475 k =-0.0920 0.1158 0.8040 ( 9206 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6214 -4.6214 -4.6080 -4.6080 -2.6165 -2.6164 -2.6135 -2.6135 0.3733 0.3733 0.3875 0.3875 2.5682 2.5682 2.5979 2.5979 3.6088 3.6088 3.6561 3.6561 5.0961 5.0961 5.1889 5.1889 6.1760 6.1760 6.2860 6.2860 6.8582 6.8582 6.9408 6.9408 9.4100 9.4100 9.4519 9.4519 10.4269 10.4269 10.4747 10.4747 10.6621 10.6621 k =-0.1051 0.1323 0.8040 ( 9212 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6248 -4.6248 -4.6116 -4.6116 -2.6201 -2.6201 -2.6168 -2.6168 0.4091 0.4091 0.4245 0.4245 2.5665 2.5665 2.5921 2.5921 3.6115 3.6115 3.6644 3.6644 5.0377 5.0377 5.1393 5.1393 6.1578 6.1578 6.2760 6.2760 6.8389 6.8389 6.9311 6.9312 9.4344 9.4344 9.4776 9.4776 10.4660 10.4660 10.5166 10.5166 10.6698 10.6698 k =-0.1182 0.1489 0.8040 ( 9212 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6287 -4.6287 -4.6157 -4.6157 -2.6233 -2.6233 -2.6198 -2.6198 0.4475 0.4475 0.4643 0.4643 2.5642 2.5642 2.5862 2.5862 3.6143 3.6143 3.6735 3.6735 4.9790 4.9790 5.0883 5.0883 6.1381 6.1381 6.2645 6.2645 6.8165 6.8165 6.9181 6.9181 9.4577 9.4577 9.5015 9.5015 10.5019 10.5019 10.5556 10.5556 10.6730 10.6730 k =-0.1314 0.1654 0.8040 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6331 -4.6331 -4.6204 -4.6204 -2.6257 -2.6257 -2.6221 -2.6221 0.4878 0.4878 0.5063 0.5063 2.5607 2.5607 2.5812 2.5812 3.6173 3.6173 3.6834 3.6834 4.9215 4.9215 5.0373 5.0373 6.1171 6.1171 6.2516 6.2516 6.7913 6.7913 6.9017 6.9017 9.4768 9.4768 9.5207 9.5207 10.5318 10.5318 10.5874 10.5874 10.6763 10.6763 k =-0.1445 0.1820 0.8040 ( 9192 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6382 -4.6382 -4.6257 -4.6257 -2.6273 -2.6273 -2.6234 -2.6234 0.5292 0.5292 0.5496 0.5496 2.5557 2.5557 2.5780 2.5780 3.6204 3.6204 3.6938 3.6938 4.8664 4.8664 4.9874 4.9874 6.0949 6.0949 6.2374 6.2374 6.7637 6.7637 6.8826 6.8826 9.4884 9.4884 9.5323 9.5323 10.5551 10.5551 10.6078 10.6078 10.6824 10.6824 k =-0.1576 0.1985 0.8040 ( 9198 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6437 -4.6437 -4.6316 -4.6316 -2.6276 -2.6276 -2.6236 -2.6236 0.5707 0.5707 0.5933 0.5933 2.5493 2.5493 2.5771 2.5771 3.6235 3.6235 3.7048 3.7048 4.8148 4.8148 4.9398 4.9398 6.0717 6.0717 6.2220 6.2220 6.7344 6.7344 6.8610 6.8610 9.4894 9.4894 9.5335 9.5335 10.5750 10.5750 10.6184 10.6184 10.6876 10.6876 k =-0.1576 0.1985 0.8040 ( 9198 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6437 -4.6437 -4.6316 -4.6316 -2.6276 -2.6276 -2.6236 -2.6236 0.5707 0.5707 0.5933 0.5933 2.5493 2.5493 2.5771 2.5771 3.6235 3.6235 3.7048 3.7048 4.8148 4.8148 4.9398 4.9398 6.0717 6.0717 6.2220 6.2220 6.7344 6.7344 6.8610 6.8610 9.4894 9.4894 9.5335 9.5335 10.5750 10.5750 10.6184 10.6184 10.6876 10.6876 k =-0.1667 0.2099 0.7895 ( 9206 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7164 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6775 -4.6660 -4.6179 -4.6062 -2.6425 -2.6383 -2.6108 -2.6070 0.5712 0.5781 0.6425 0.6497 2.5240 2.5499 2.5754 2.6007 3.5948 3.6278 3.7121 3.7399 4.7587 4.8052 4.8846 4.9341 6.0353 6.0592 6.2020 6.2146 6.7042 6.7218 6.8374 6.8623 9.4672 9.4976 9.5186 9.5447 10.5644 10.5952 10.6099 10.6205 10.6632 10.7092 k =-0.1757 0.2212 0.7751 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9957 -34.9956 -34.7167 -34.7166 -34.7164 -34.7163 -34.6996 -34.6995 -34.6995 -34.6995 -4.7099 -4.6987 -4.5940 -4.5825 -2.6571 -2.6527 -2.5913 -2.5875 0.5614 0.5708 0.7036 0.7128 2.5026 2.5382 2.5929 2.6260 3.5612 3.6062 3.7435 3.7768 4.7102 4.7920 4.8372 4.9284 5.9867 6.0268 6.1796 6.2002 6.6742 6.7029 6.8287 6.8709 9.4365 9.4779 9.5251 9.5603 10.5455 10.5665 10.5883 10.6062 10.6920 10.7314 k =-0.1847 0.2326 0.7606 ( 9209 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9957 -34.9956 -34.7167 -34.7166 -34.7164 -34.7163 -34.6996 -34.6995 -34.6995 -34.6995 -4.7407 -4.7298 -4.5720 -4.5607 -2.6713 -2.6668 -2.5691 -2.5655 0.5465 0.5590 0.7658 0.7769 2.4869 2.5324 2.6111 2.6516 3.5280 3.5800 3.7771 3.8087 4.6707 4.7665 4.8069 4.9225 5.9290 5.9771 6.1534 6.1782 6.6473 6.6771 6.8360 6.8856 9.3970 9.4409 9.5412 9.5796 10.5150 10.5257 10.5600 10.5867 10.7394 10.7497 k =-0.1937 0.2439 0.7461 ( 9205 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9957 -34.9956 -34.7167 -34.7165 -34.7164 -34.7163 -34.6996 -34.6996 -34.6995 -34.6995 -4.7699 -4.7593 -4.5519 -4.5409 -2.6851 -2.6804 -2.5445 -2.5410 0.5269 0.5429 0.8283 0.8414 2.4771 2.5337 2.6288 2.6772 3.4964 3.5542 3.8071 3.8331 4.6415 4.7304 4.7919 4.9159 5.8651 5.9159 6.1198 6.1489 6.6251 6.6502 6.8539 6.9048 9.3488 9.3942 9.5594 9.6018 10.4729 10.4909 10.5263 10.5605 10.7570 10.7821 k =-0.2027 0.2552 0.7316 ( 9203 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9957 -34.9956 -34.7167 -34.7165 -34.7164 -34.7163 -34.6996 -34.6996 -34.6995 -34.6994 -4.7974 -4.7872 -4.5337 -4.5230 -2.6984 -2.6935 -2.5176 -2.5143 0.5029 0.5225 0.8908 0.9060 2.4733 2.5421 2.6456 2.7024 3.4668 3.5300 3.8316 3.8488 4.6230 4.6955 4.7808 4.9085 5.7978 5.8489 6.0777 6.1129 6.6077 6.6265 6.8775 6.9275 9.2928 9.3391 9.5792 9.6261 10.4293 10.4572 10.4866 10.5244 10.7672 10.8017 k =-0.2117 0.2666 0.7171 ( 9209 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8232 -4.8133 -4.5173 -4.5070 -2.7111 -2.7061 -2.4888 -2.4857 0.4750 0.4982 0.9529 0.9702 2.4752 2.5570 2.6613 2.7269 3.4394 3.5081 3.8475 3.8579 4.6139 4.6653 4.7701 4.8999 5.7291 5.7802 6.0295 6.0710 6.5942 6.6073 6.9041 6.9526 9.2303 9.2771 9.6007 9.6523 10.3857 10.4229 10.4420 10.4796 10.7802 10.8169 k =-0.2207 0.2779 0.7026 ( 9213 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8472 -4.8376 -4.5028 -4.4928 -2.7232 -2.7181 -2.4585 -2.4556 0.4436 0.4703 1.0141 1.0337 2.4823 2.5779 2.6759 2.7506 3.4142 3.4884 3.8480 3.8679 4.6084 4.6430 4.7595 4.8899 5.6610 5.7129 5.9785 6.0251 6.5830 6.5924 6.9320 6.9794 9.1631 9.2097 9.6239 9.6798 10.3399 10.3813 10.4019 10.4300 10.7973 10.8336 k =-0.2297 0.2893 0.6881 ( 9219 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8695 -4.8601 -4.4899 -4.4803 -2.7345 -2.7293 -2.4271 -2.4243 0.4096 0.4397 1.0739 1.0958 2.4939 2.6039 2.6894 2.7732 3.3915 3.4712 3.8385 3.8760 4.5932 4.6366 4.7497 4.8784 5.5950 5.6496 5.9276 5.9775 6.5729 6.5809 6.9604 7.0072 9.0928 9.1386 9.6488 9.7084 10.2895 10.3304 10.3705 10.3813 10.8188 10.8535 k =-0.2387 0.3006 0.6736 ( 9224 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8899 -4.8808 -4.4787 -4.4695 -2.7451 -2.7398 -2.3952 -2.3925 0.3738 0.4069 1.1318 1.1562 2.5092 2.6337 2.7020 2.7945 3.3711 3.4563 3.8237 3.8807 4.5684 4.6383 4.7427 4.8655 5.5328 5.5924 5.8795 5.9307 6.5629 6.5714 6.9884 7.0357 9.0211 9.0658 9.6753 9.7379 10.2348 10.2755 10.3368 10.3434 10.8441 10.8773 k =-0.2477 0.3120 0.6592 ( 9223 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.9084 -4.8995 -4.4690 -4.4601 -2.7548 -2.7495 -2.3632 -2.3606 0.3371 0.3730 1.1873 1.2141 2.5271 2.6654 2.7146 2.8143 3.3531 3.4434 3.8065 3.8832 4.5390 4.6342 4.7418 4.8516 5.4762 5.5426 5.8362 5.8867 6.5529 6.5628 7.0158 7.0643 8.9499 8.9930 9.7032 9.7679 10.1791 10.2188 10.2996 10.3161 10.8728 10.9044 k =-0.2567 0.3233 0.6447 ( 9226 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7162 -34.6997 -34.6996 -34.6994 -34.6994 -4.9251 -4.9164 -4.4607 -4.4522 -2.7637 -2.7582 -2.3320 -2.3294 0.3005 0.3388 1.2398 1.2689 2.5467 2.6945 2.7303 2.8324 3.3375 3.4323 3.7891 3.8849 4.5057 4.6184 4.7470 4.8376 5.4272 5.5007 5.7989 5.8470 6.5428 6.5544 7.0420 7.0925 8.8806 8.9219 9.7322 9.7979 10.1255 10.1629 10.2659 10.2899 10.9040 10.9342 k =-0.2658 0.3347 0.6302 ( 9221 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7162 -34.6997 -34.6996 -34.6994 -34.6994 -4.9398 -4.9314 -4.4536 -4.4455 -2.7716 -2.7661 -2.3021 -2.2995 0.2651 0.3055 1.2885 1.3199 2.5669 2.7137 2.7554 2.8486 3.3243 3.4220 3.7739 3.8870 4.4692 4.5918 4.7537 4.8245 5.3874 5.4668 5.7684 5.8126 6.5324 6.5460 7.0667 7.1198 8.8147 8.8542 9.7618 9.8274 10.0765 10.1105 10.2342 10.2642 10.9369 10.9656 k =-0.2748 0.3460 0.6157 ( 9213 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7162 -34.6997 -34.6996 -34.6994 -34.6994 -4.9526 -4.9444 -4.4478 -4.4400 -2.7786 -2.7730 -2.2743 -2.2716 0.2317 0.2740 1.3327 1.3663 2.5868 2.7240 2.7873 2.8628 3.3137 3.4118 3.7629 3.8903 4.4305 4.5571 4.7567 4.8139 5.3578 5.4401 5.7447 5.7839 6.5220 6.5375 7.0896 7.1455 8.7538 8.7914 9.7913 9.8551 10.0345 10.0635 10.2036 10.2386 10.9702 10.9975 k =-0.2838 0.3574 0.6012 ( 9213 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7162 -34.6997 -34.6997 -34.6994 -34.6994 -4.9635 -4.9554 -4.4430 -4.4355 -2.7845 -2.7789 -2.2492 -2.2464 0.2015 0.2454 1.3718 1.4074 2.6052 2.7307 2.8196 2.8749 3.3060 3.4009 3.7575 3.8948 4.3921 4.5169 4.7536 4.8064 5.3385 5.4197 5.7273 5.7608 6.5119 6.5294 7.1102 7.1692 8.6991 8.7350 9.8196 9.8786 10.0018 10.0245 10.1737 10.2130 11.0028 11.0284 k =-0.2928 0.3687 0.5867 ( 9209 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6997 -34.6996 -34.6994 -34.6994 -4.9724 -4.9644 -4.4392 -4.4320 -2.7894 -2.7838 -2.2275 -2.2246 0.1753 0.2204 1.4050 1.4423 2.6215 2.7356 2.8491 2.8849 3.3013 3.3887 3.7585 3.8998 4.3571 4.4738 4.7459 4.8009 5.3281 5.4043 5.7153 5.7430 6.5026 6.5218 7.1280 7.1900 8.6521 8.6865 9.8440 9.8936 9.9789 10.0009 10.1444 10.1873 11.0331 11.0566 k =-0.3018 0.3801 0.5722 ( 9213 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6997 -34.6997 -34.6994 -34.6994 -4.9793 -4.9715 -4.4364 -4.4293 -2.7933 -2.7876 -2.2099 -2.2068 0.1540 0.2001 1.4316 1.4703 2.6349 2.7391 2.8739 2.8925 3.3001 3.3754 3.7653 3.9038 4.3295 4.4305 4.7370 4.7961 5.3247 5.3928 5.7076 5.7299 6.4946 6.5153 7.1426 7.2072 8.6139 8.6472 9.8583 9.8993 9.9635 10.0019 10.1160 10.1615 11.0595 11.0804 k =-0.3108 0.3914 0.5577 ( 9199 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6997 -34.6996 -34.6994 -34.6994 -4.9843 -4.9765 -4.4344 -4.4275 -2.7960 -2.7903 -2.1969 -2.1937 0.1382 0.1850 1.4511 1.4909 2.6448 2.7417 2.8923 2.8982 3.3021 3.3618 3.7757 3.9052 4.3131 4.3900 4.7291 4.7919 5.3255 5.3842 5.7030 5.7211 6.4884 6.5103 7.1535 7.2202 8.5856 8.6182 9.8596 9.8992 9.9641 10.0167 10.0904 10.1358 11.0807 11.0978 k =-0.3198 0.4027 0.5433 ( 9193 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6997 -34.6996 -34.6994 -34.6994 -4.9873 -4.9796 -4.4332 -4.4264 -2.7977 -2.7920 -2.1889 -2.1857 0.1285 0.1757 1.4630 1.5034 2.6509 2.7432 2.9003 2.9051 3.3061 3.3504 3.7855 3.9043 4.3102 4.3563 4.7239 4.7889 5.3276 5.3786 5.7008 5.7160 6.4845 6.5071 7.1602 7.2282 8.5683 8.6005 9.8560 9.8950 9.9788 10.0287 10.0754 10.1110 11.0951 11.1072 k =-0.3288 0.4141 0.5288 ( 9182 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7161 -34.6997 -34.6996 -34.6993 -34.6993 -4.9883 -4.9806 -4.4328 -4.4260 -2.7982 -2.7925 -2.1862 -2.1830 0.1253 0.1726 1.4670 1.5076 2.6529 2.7437 2.9016 2.9088 3.3086 3.3454 3.7896 3.9034 4.3148 4.3391 4.7221 4.7878 5.3287 5.3766 5.7001 5.7143 6.4831 6.5060 7.1625 7.2310 8.5624 8.5945 9.8542 9.8928 9.9894 10.0275 10.0798 10.0942 11.1006 11.1096 k =-0.3288 0.4141 0.5288 ( 9182 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7161 -34.6997 -34.6996 -34.6993 -34.6993 -4.9883 -4.9806 -4.4328 -4.4260 -2.7982 -2.7925 -2.1862 -2.1830 0.1253 0.1726 1.4670 1.5076 2.6529 2.7437 2.9016 2.9088 3.3086 3.3454 3.7896 3.9034 4.3148 4.3391 4.7221 4.7878 5.3287 5.3766 5.7001 5.7143 6.4831 6.5060 7.1625 7.2310 8.5624 8.5945 9.8542 9.8928 9.9894 10.0275 10.0798 10.0942 11.1006 11.1096 k =-0.3197 0.4026 0.5141 ( 9190 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0132 -5.0053 -4.3913 -4.3842 -2.8103 -2.8045 -2.1758 -2.1725 0.0850 0.1311 1.4937 1.5405 2.6393 2.7020 2.8717 2.9050 3.3521 3.3819 3.7406 3.8539 4.3297 4.3440 4.6612 4.7318 5.3672 5.3861 5.6719 5.6737 6.5303 6.5489 7.1751 7.2361 8.6111 8.6474 9.8834 9.9213 10.0761 10.1242 10.1826 10.1925 11.0902 11.0930 k =-0.3106 0.3911 0.4994 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9958 -34.9957 -34.9954 -34.7168 -34.7166 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0399 -5.0320 -4.3479 -4.3405 -2.8183 -2.8124 -2.1654 -2.1620 0.0423 0.0868 1.5107 1.5636 2.6249 2.6599 2.8460 2.9056 3.4093 3.4318 3.6952 3.8070 4.3398 4.3456 4.5990 4.6750 5.3878 5.4056 5.6365 5.6629 6.5707 6.5842 7.1794 7.2323 8.6613 8.7023 9.9014 9.9354 10.1467 10.2071 10.2812 10.2859 11.0691 11.0724 k =-0.3014 0.3796 0.4847 ( 9184 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9958 -34.9956 -34.9954 -34.7168 -34.7166 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0684 -5.0604 -4.3027 -4.2948 -2.8224 -2.8164 -2.1549 -2.1514 -0.0029 0.0397 1.5189 1.5775 2.6080 2.6180 2.8265 2.9102 3.4788 3.4923 3.6556 3.7635 4.3438 4.3438 4.5362 4.6186 5.3811 5.4398 5.6124 5.6685 6.6037 6.6110 7.1750 7.2195 8.7123 8.7581 9.9095 9.9362 10.1999 10.2732 10.3755 10.3759 11.0540 11.0610 k =-0.2923 0.3681 0.4700 ( 9184 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7168 -34.7166 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0984 -5.0905 -4.2555 -4.2473 -2.8226 -2.8166 -2.1444 -2.1409 -0.0504 -0.0099 1.5195 1.5833 2.5766 2.5873 2.8144 2.9184 3.5481 3.5571 3.6354 3.7254 4.3381 4.3403 4.4736 4.5640 5.3687 5.4609 5.6082 5.6883 6.6281 6.6285 7.1620 7.1980 8.7628 8.8136 9.9115 9.9277 10.2390 10.3247 10.4627 10.4650 11.0454 11.0548 k =-0.2832 0.3566 0.4553 ( 9186 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7169 -34.7166 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1299 -5.1220 -4.2066 -4.1980 -2.8190 -2.8130 -2.1340 -2.1305 -0.1000 -0.0618 1.5138 1.5824 2.5359 2.5627 2.8100 2.9297 3.5488 3.6274 3.6832 3.7077 4.3278 4.3281 4.4130 4.5133 5.3540 5.4619 5.6305 5.7189 6.6360 6.6434 7.1411 7.1689 8.8119 8.8676 9.9120 9.9160 10.2696 10.3668 10.5449 10.5479 11.0360 11.0449 k =-0.2740 0.3451 0.4406 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7169 -34.7167 -34.7163 -34.7160 -34.6997 -34.6997 -34.6993 -34.6993 -5.1625 -5.1547 -4.1558 -4.1469 -2.8118 -2.8059 -2.1238 -2.1203 -0.1516 -0.1159 1.5031 1.5759 2.4963 2.5347 2.8123 2.9440 3.5211 3.6283 3.7693 3.7694 4.3054 4.3109 4.3592 4.4687 5.3394 5.4495 5.6718 5.7572 6.6331 6.6488 7.1132 7.1334 8.8586 8.9185 9.9070 9.9158 10.2969 10.4053 10.6186 10.6204 11.0211 11.0253 k =-0.2649 0.3336 0.4259 ( 9216 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7169 -34.7167 -34.7163 -34.7160 -34.6998 -34.6998 -34.6993 -34.6993 -5.1962 -5.1885 -4.1034 -4.0941 -2.8013 -2.7954 -2.1137 -2.1102 -0.2051 -0.1719 1.4889 1.5653 2.4580 2.5046 2.8201 2.9607 3.4916 3.6011 3.8621 3.8653 4.2746 4.2796 4.3232 4.4316 5.3261 5.4320 5.7229 5.8015 6.6193 6.6439 7.0799 7.0932 8.9026 8.9653 9.9061 9.9267 10.3243 10.4440 10.6725 10.6739 11.0010 11.0059 k =-0.2558 0.3221 0.4113 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9962 -34.9959 -34.9956 -34.9954 -34.7169 -34.7167 -34.7163 -34.7160 -34.6998 -34.6998 -34.6993 -34.6993 -5.2306 -5.2231 -4.0492 -4.0396 -2.7876 -2.7817 -2.1039 -2.1005 -0.2603 -0.2297 1.4721 1.5518 2.4212 2.4735 2.8318 2.9794 3.4639 3.5732 3.9458 3.9594 4.2438 4.2493 4.3015 4.4017 5.3142 5.4127 5.7794 5.8505 6.5948 6.6285 7.0430 7.0503 8.9437 9.0075 9.9163 9.9467 10.3534 10.4853 10.6861 10.6890 10.9951 11.0099 k =-0.2466 0.3106 0.3966 ( 9226 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9960 -34.9956 -34.9954 -34.7170 -34.7167 -34.7162 -34.7160 -34.6998 -34.6998 -34.6993 -34.6993 -5.2656 -5.2582 -3.9935 -3.9835 -2.7709 -2.7652 -2.0944 -2.0910 -0.3169 -0.2890 1.4540 1.5364 2.3860 2.4424 2.8461 2.9997 3.4387 3.5473 3.9912 4.0235 4.2360 4.2573 4.2848 4.3810 5.3030 5.3920 5.8392 5.9034 6.5600 6.6028 7.0044 7.0071 8.9824 9.0452 9.9383 9.9752 10.3828 10.5301 10.6482 10.6542 11.0288 11.0476 k =-0.2375 0.2991 0.3819 ( 9219 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9960 -34.9956 -34.9953 -34.7170 -34.7167 -34.7162 -34.7160 -34.6998 -34.6998 -34.6992 -34.6992 -5.3009 -5.2938 -3.9362 -3.9259 -2.7517 -2.7460 -2.0853 -2.0819 -0.3749 -0.3497 1.4352 1.5201 2.3528 2.4119 2.8621 3.0209 3.4161 3.5242 3.9800 4.0247 4.2613 4.2653 4.3334 4.3876 5.2915 5.3693 5.9016 5.9598 6.5156 6.5673 6.9659 6.9663 9.0196 9.0793 9.9694 10.0085 10.4058 10.5656 10.5829 10.6011 11.0914 11.1099 k =-0.2283 0.2876 0.3672 ( 9239 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9960 -34.9956 -34.9953 -34.7170 -34.7168 -34.7162 -34.7160 -34.6999 -34.6998 -34.6992 -34.6992 -5.3364 -5.3295 -3.8774 -3.8667 -2.7301 -2.7245 -2.0765 -2.0731 -0.4342 -0.4115 1.4165 1.5036 2.3216 2.3825 2.8785 3.0425 3.3960 3.5039 3.9378 3.9849 4.2441 4.2717 4.4386 4.4594 5.2786 5.3438 5.9658 6.0192 6.4627 6.5229 6.9289 6.9309 9.0562 9.1113 10.0019 10.0363 10.4049 10.4800 10.5699 10.6311 11.1672 11.1841 k =-0.2192 0.2761 0.3525 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9960 -34.9955 -34.9953 -34.7170 -34.7168 -34.7162 -34.7160 -34.6999 -34.6999 -34.6992 -34.6992 -5.3719 -5.3652 -3.8171 -3.8061 -2.7064 -2.7010 -2.0681 -2.0648 -0.4945 -0.4744 1.3987 1.4876 2.2926 2.3547 2.8946 3.0637 3.3778 3.4863 3.8852 3.9309 4.2274 4.2541 4.5583 4.5705 5.2636 5.3147 6.0314 6.0814 6.4025 6.4706 6.8985 6.9003 9.0929 9.1425 10.0180 10.0368 10.3873 10.4078 10.5825 10.6840 11.2489 11.2636 k =-0.2101 0.2646 0.3378 ( 9243 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9960 -34.9955 -34.9953 -34.7171 -34.7168 -34.7162 -34.7159 -34.6999 -34.6999 -34.6992 -34.6992 -5.4071 -5.4006 -3.7555 -3.7442 -2.6809 -2.6756 -2.0602 -2.0570 -0.5559 -0.5382 1.3821 1.4727 2.2659 2.3287 2.9096 3.0840 3.3608 3.4713 3.8300 3.8718 4.2123 4.2307 4.6838 4.6931 5.2461 5.2816 6.0978 6.1459 6.3368 6.4122 6.8761 6.8763 9.1299 9.1733 9.9883 9.9903 10.3839 10.3997 10.6158 10.7357 11.3333 11.3427 k =-0.2009 0.2531 0.3231 ( 9241 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9955 -34.9953 -34.7171 -34.7168 -34.7161 -34.7159 -34.6999 -34.6999 -34.6992 -34.6992 -5.4418 -5.4356 -3.6926 -3.6809 -2.6539 -2.6487 -2.0527 -2.0496 -0.6180 -0.6028 1.3672 1.4594 2.2417 2.3048 2.9226 3.1025 3.3440 3.4583 3.7753 3.8106 4.1994 4.2063 4.8105 4.8182 5.2270 5.2451 6.1639 6.2110 6.2686 6.3499 6.8599 6.8640 9.1661 9.2032 9.9004 9.9145 10.4157 10.4491 10.6512 10.7803 11.3277 11.3660 k =-0.1918 0.2416 0.3084 ( 9235 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9955 -34.9953 -34.7171 -34.7169 -34.7161 -34.7159 -34.6999 -34.6999 -34.6992 -34.6992 -5.4760 -5.4700 -3.6284 -3.6164 -2.6256 -2.6206 -2.0458 -2.0427 -0.6810 -0.6680 1.3544 1.4480 2.2200 2.2832 2.9333 3.1187 3.3259 3.4469 3.7235 3.7490 4.1823 4.1890 4.9333 4.9384 5.2086 5.2105 6.1913 6.2220 6.2850 6.2931 6.8526 6.8622 9.1989 9.2293 9.7973 9.8163 10.4809 10.5171 10.6774 10.8049 11.2044 11.2403 k =-0.1827 0.2300 0.2938 ( 9237 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9955 -34.9953 -34.7171 -34.7169 -34.7161 -34.7159 -34.6999 -34.6999 -34.6992 -34.6992 -5.5094 -5.5037 -3.5630 -3.5507 -2.5964 -2.5916 -2.0394 -2.0364 -0.7446 -0.7339 1.3441 1.4390 2.2010 2.2641 2.9411 3.1318 3.3048 3.4357 3.6764 3.6887 4.1593 4.1814 5.0338 5.0357 5.1895 5.2132 6.1195 6.2007 6.3149 6.3550 6.8545 6.8713 9.2213 9.2447 9.6982 9.7202 10.5622 10.5783 10.6905 10.7836 11.1061 11.1572 k =-0.1735 0.2185 0.2791 ( 9237 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9955 -34.9953 -34.7171 -34.7169 -34.7161 -34.7159 -34.6999 -34.6999 -34.6992 -34.6992 -5.5420 -5.5365 -3.4966 -3.4840 -2.5665 -2.5618 -2.0335 -2.0306 -0.8088 -0.8002 1.3364 1.4325 2.1847 2.2476 2.9458 3.1412 3.2786 3.4226 3.6316 3.6357 4.1372 4.1763 5.0541 5.0712 5.2449 5.2725 6.0497 6.1378 6.3799 6.4274 6.8658 6.8911 9.2193 9.2353 9.6229 9.6479 10.5638 10.6471 10.7035 10.7362 11.0511 11.1312 k =-0.1644 0.2070 0.2644 ( 9237 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9954 -34.9952 -34.7171 -34.7169 -34.7161 -34.7159 -34.6999 -34.6999 -34.6991 -34.6991 -5.5735 -5.5683 -3.4291 -3.4162 -2.5362 -2.5317 -2.0281 -2.0253 -0.8736 -0.8670 1.3317 1.4289 2.1713 2.2338 2.9471 3.1466 3.2460 3.4036 3.5818 3.6027 4.1156 4.1730 5.0195 5.0607 5.3484 5.3702 5.9871 6.0767 6.4484 6.5013 6.8862 6.9209 9.1762 9.1865 9.5910 9.6177 10.4707 10.5697 10.7494 10.8191 11.0311 11.1348 k =-0.1553 0.1955 0.2497 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9961 -34.9954 -34.9952 -34.7171 -34.7169 -34.7161 -34.7159 -34.7000 -34.6999 -34.6991 -34.6991 -5.6038 -5.5990 -3.3607 -3.3476 -2.5058 -2.5014 -2.0233 -2.0206 -0.9389 -0.9342 1.3301 1.4283 2.1609 2.2228 2.9449 3.1476 3.2063 3.3732 3.5446 3.5776 4.0941 4.1701 4.9756 5.0389 5.4507 5.4648 5.9408 6.0262 6.5179 6.5761 6.9149 6.9597 9.0939 9.1014 9.6019 9.6281 10.3464 10.4296 10.8437 10.9063 11.0249 11.1371 k =-0.1461 0.1840 0.2350 ( 9235 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.6330 -5.6284 -3.2914 -3.2780 -2.4754 -2.4712 -2.0190 -2.0164 -1.0046 -1.0018 1.3317 1.4309 2.1533 2.2146 2.9392 3.1439 3.1602 3.3288 3.5225 3.5599 4.0717 4.1661 4.9334 5.0171 5.5303 5.5326 5.9278 5.9979 6.5883 6.6515 6.9515 7.0064 8.9901 8.9964 9.6388 9.6636 10.2109 10.2844 10.9381 10.9620 11.0442 11.1228 k =-0.1370 0.1725 0.2203 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.6607 -5.6564 -3.2214 -3.2078 -2.4454 -2.4413 -2.0152 -2.0128 -1.0708 -1.0696 1.3368 1.4368 2.1489 2.2093 2.9297 3.1090 3.1352 3.2736 3.5123 3.5483 4.0477 4.1589 4.8975 4.9992 5.5477 5.5768 5.9646 6.0077 6.6595 6.7271 6.9952 7.0596 8.8780 8.8836 9.6886 9.7127 10.0729 10.1394 10.9468 11.0299 11.0887 11.1198 k =-0.1279 0.1610 0.2056 ( 9241 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.6871 -5.6830 -3.1506 -3.1368 -2.4160 -2.4121 -2.0120 -2.0097 -1.1378 -1.1373 1.3453 1.4460 2.1474 2.2070 2.9163 3.0545 3.1213 3.2126 3.5093 3.5415 4.0216 4.1463 4.8710 4.9874 5.5253 5.5779 6.0422 6.0602 6.7319 6.8025 7.0454 7.1180 8.7641 8.7691 9.7432 9.7693 9.9383 9.9970 10.9059 11.0374 11.1182 11.2052 k =-0.1187 0.1495 0.1909 ( 9249 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9954 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.7119 -5.7082 -3.0793 -3.0653 -2.3874 -2.3837 -2.0093 -2.0071 -1.2063 -1.2043 1.3572 1.4586 2.1490 2.2075 2.8982 2.9988 3.0998 3.1510 3.5107 3.5382 3.9931 4.1270 4.8557 4.9826 5.4845 5.5506 6.1385 6.1402 6.8057 6.8773 7.1012 7.1804 8.6519 8.6563 9.7662 9.8265 9.8424 9.8624 10.8550 10.9765 11.1986 11.2852 k =-0.1096 0.1380 0.1763 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9953 -34.9952 -34.7172 -34.7170 -34.7160 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.7351 -5.7317 -3.0075 -2.9932 -2.3599 -2.3563 -2.0071 -2.0051 -1.2750 -1.2716 1.3727 1.4745 2.1537 2.2108 2.8735 2.9452 3.0597 3.1017 3.5146 3.5376 3.9626 4.1008 4.8521 4.9848 5.4383 5.5109 6.2314 6.2402 6.8809 6.9511 7.1619 7.2454 8.5432 8.5470 9.6588 9.7230 9.8839 9.8960 10.7993 10.9097 11.2660 11.3113 k =-0.1005 0.1265 0.1616 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9953 -34.9952 -34.7172 -34.7170 -34.7159 -34.7158 -34.7000 -34.7000 -34.6991 -34.6991 -5.7567 -5.7535 -2.9352 -2.9208 -2.3335 -2.3301 -2.0054 -2.0035 -1.3440 -1.3393 1.3915 1.4935 2.1614 2.2168 2.8373 2.8995 2.9976 3.0693 3.5201 3.5389 3.9307 4.0683 4.8592 4.9932 5.3924 5.4676 6.3245 6.3407 6.9574 7.0238 7.2266 7.3119 8.4394 8.4427 9.5370 9.5956 9.9467 9.9607 10.7420 10.8404 11.1962 11.2573 k =-0.0913 0.1150 0.1469 ( 9225 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9953 -34.9952 -34.7172 -34.7170 -34.7159 -34.7158 -34.7000 -34.7000 -34.6990 -34.6990 -5.7765 -5.7737 -2.8625 -2.8481 -2.3086 -2.3054 -2.0042 -2.0024 -1.4133 -1.4074 1.4136 1.5154 2.1721 2.2252 2.7886 2.8644 2.9295 3.0389 3.5266 3.5417 3.8984 4.0315 4.8751 5.0065 5.3499 5.4253 6.4146 6.4365 7.0349 7.0950 7.2941 7.3786 8.3415 8.3442 9.4200 9.4746 10.0112 10.0257 10.6856 10.7711 11.0913 11.1471 k =-0.0822 0.1035 0.1322 ( 9231 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9962 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7000 -34.7000 -34.6990 -34.6990 -5.7946 -5.7921 -2.7896 -2.7751 -2.2853 -2.2823 -2.0034 -2.0017 -1.4828 -1.4758 1.4387 1.5398 2.1856 2.2357 2.7338 2.8344 2.8602 3.0066 3.5336 3.5454 3.8668 3.9921 4.8973 5.0231 5.3124 5.3861 6.4993 6.5255 7.1124 7.1643 7.3631 7.4444 8.2502 8.2525 9.3103 9.3610 10.0752 10.0898 10.6316 10.7037 10.9909 11.0396 k =-0.0731 0.0920 0.1175 ( 9231 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7000 -34.7000 -34.6990 -34.6990 -5.8109 -5.8086 -2.7166 -2.7020 -2.2637 -2.2610 -2.0030 -2.0014 -1.5526 -1.5446 1.4667 1.5663 2.2019 2.2479 2.6784 2.7910 2.8058 2.9722 3.5407 3.5496 3.8369 3.9522 4.9232 5.0407 5.2813 5.3514 6.5770 6.6064 7.1889 7.2314 7.4323 7.5081 8.1664 8.1682 9.2090 9.2558 10.1375 10.1520 10.5814 10.6397 10.8965 10.9367 k =-0.0639 0.0805 0.1028 ( 9239 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7001 -34.7000 -34.6990 -34.6990 -5.8254 -5.8234 -2.6434 -2.6288 -2.2441 -2.2416 -2.0029 -2.0015 -1.6226 -1.6136 1.4969 1.5940 2.2208 2.2611 2.6253 2.7229 2.7777 2.9360 3.5476 3.5541 3.8097 3.9132 4.9504 5.0569 5.2576 5.3221 6.6471 6.6781 7.2626 7.2954 7.5001 7.5685 8.0906 8.0920 9.1172 9.1597 10.1970 10.2112 10.5361 10.5806 10.8091 10.8400 k =-0.0548 0.0690 0.0881 ( 9249 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7001 -34.7001 -34.6991 -34.6990 -5.8379 -5.8362 -2.5703 -2.5558 -2.2266 -2.2244 -2.0032 -2.0018 -1.6929 -1.6830 1.5290 1.6220 2.2419 2.2744 2.5763 2.6565 2.7505 2.8985 3.5540 3.5585 3.7860 3.8766 4.9768 5.0693 5.2424 5.2986 6.7090 6.7400 7.3318 7.3553 7.5647 7.6244 8.0235 8.0245 9.0359 9.0736 10.2526 10.2660 10.4968 10.5279 10.7294 10.7506 k =-0.0457 0.0575 0.0734 ( 9239 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9953 -34.9952 -34.7172 -34.7171 -34.7159 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8486 -5.8472 -2.4974 -2.4830 -2.2113 -2.2094 -2.0036 -2.0024 -1.7632 -1.7526 1.5621 1.6488 2.2651 2.2866 2.5334 2.5930 2.7253 2.8604 3.5597 3.5626 3.7664 3.8431 5.0005 5.0763 5.2359 5.2811 6.7625 6.7917 7.3944 7.4097 7.6244 7.6744 7.9656 7.9663 8.9658 8.9983 10.3029 10.3147 10.4647 10.4837 10.6585 10.6701 k =-0.0365 0.0460 0.0588 ( 9231 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9952 -34.9952 -34.7172 -34.7171 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8573 -5.8562 -2.4248 -2.4106 -2.1984 -2.1969 -2.0042 -2.0032 -1.8335 -1.8223 1.5953 1.6726 2.2897 2.2968 2.4977 2.5333 2.7040 2.8227 3.5646 3.5662 3.7514 3.8136 5.0202 5.0777 5.2366 5.2694 6.8075 6.8332 7.4485 7.4574 7.6774 7.7171 7.9174 7.9179 8.9079 8.9348 10.3454 10.3541 10.4415 10.4511 10.5970 10.6001 k =-0.0274 0.0345 0.0441 ( 9237 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9952 -34.9952 -34.7172 -34.7171 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8641 -5.8632 -2.3529 -2.3391 -2.1881 -2.1870 -2.0047 -2.0040 -1.9035 -1.8918 1.6272 1.6913 2.3054 2.3150 2.4693 2.4791 2.6890 2.7865 3.5684 3.5692 3.7412 3.7884 5.0355 5.0755 5.2413 5.2627 6.8437 6.8644 7.4924 7.4967 7.7219 7.7513 7.8794 7.8797 8.8630 8.8836 10.3743 10.3757 10.4315 10.4380 10.5424 10.5461 k =-0.0183 0.0230 0.0294 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8689 -5.8683 -2.2825 -2.2694 -2.1805 -2.1799 -2.0052 -2.0047 -1.9721 -1.9603 1.6561 1.7025 2.3144 2.3393 2.4327 2.4461 2.6828 2.7529 3.5712 3.5715 3.7362 3.7679 5.0467 5.0713 5.2472 5.2594 6.8709 6.8854 7.5246 7.5262 7.7562 7.7756 7.8519 7.8520 8.8315 8.8455 10.3765 10.3826 10.4389 10.4460 10.5004 10.5072 k =-0.0091 0.0115 0.0147 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8717 -5.8714 -2.2167 -2.2060 -2.1757 -2.1757 -2.0354 -2.0249 -2.0054 -2.0051 1.6800 1.7045 2.3273 2.3557 2.4018 2.4250 2.6868 2.7238 3.5728 3.5729 3.7364 3.7523 5.0549 5.0665 5.2522 5.2576 6.8889 6.8964 7.5442 7.5445 7.7793 7.7889 7.8352 7.8353 8.8139 8.8210 10.3740 10.3801 10.4474 10.4529 10.4798 10.4844 k = 0.0000 0.0000 0.0000 ( 9229 PWs) bands (ev): -68.0521 -68.0521 -68.0519 -68.0519 -34.9963 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8726 -5.8726 -2.1754 -2.1754 -2.1740 -2.1740 -2.0660 -2.0660 -2.0054 -2.0054 1.6968 1.6968 2.3454 2.3454 2.4056 2.4056 2.7011 2.7011 3.5733 3.5733 3.7418 3.7418 5.0611 5.0611 5.2556 5.2556 6.8975 6.8975 7.5508 7.5508 7.7903 7.7903 7.8296 7.8296 8.8104 8.8104 10.3759 10.3759 10.4497 10.4497 10.4783 10.4783 k = 0.0000 0.0000 0.0000 ( 9229 PWs) bands (ev): -68.0521 -68.0521 -68.0519 -68.0519 -34.9963 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8726 -5.8726 -2.1754 -2.1754 -2.1740 -2.1740 -2.0660 -2.0660 -2.0054 -2.0054 1.6968 1.6968 2.3454 2.3454 2.4056 2.4056 2.7011 2.7011 3.5733 3.5733 3.7418 3.7418 5.0611 5.0611 5.2556 5.2556 6.8975 6.8975 7.5508 7.5508 7.7903 7.7903 7.8296 7.8296 8.8104 8.8104 10.3759 10.3759 10.4497 10.4497 10.4783 10.4783 k = 0.0161 0.0128-0.0000 ( 9229 PWs) bands (ev): -68.0521 -68.0521 -68.0519 -68.0519 -34.9963 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8715 -5.8715 -2.1761 -2.1761 -2.1753 -2.1753 -2.1432 -2.1432 -1.9267 -1.9267 1.6912 1.6912 2.3462 2.3462 2.4091 2.4091 2.7073 2.7073 3.5584 3.5584 3.7586 3.7586 5.0624 5.0624 5.2569 5.2569 6.8929 6.8929 7.5453 7.5453 7.7815 7.7815 7.8335 7.8335 8.8117 8.8117 10.3658 10.3658 10.4512 10.4512 10.4833 10.4833 k = 0.0323 0.0256-0.0000 ( 9233 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8681 -5.8681 -2.2484 -2.2484 -2.1767 -2.1767 -2.1738 -2.1738 -1.8241 -1.8241 1.6750 1.6750 2.3491 2.3491 2.4188 2.4188 2.7258 2.7258 3.5244 3.5244 3.7983 3.7983 5.0662 5.0662 5.2606 5.2606 6.8793 6.8793 7.5292 7.5292 7.7555 7.7555 7.8450 7.8450 8.8159 8.8159 10.3335 10.3335 10.4597 10.4597 10.4979 10.4979 k = 0.0484 0.0384-0.0000 ( 9248 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9952 -34.9952 -34.7172 -34.7172 -34.7158 -34.7158 -34.7001 -34.7001 -34.6990 -34.6990 -5.8625 -5.8625 -2.3513 -2.3513 -2.1785 -2.1785 -2.1760 -2.1760 -1.7201 -1.7201 1.6496 1.6496 2.3549 2.3549 2.4334 2.4334 2.7556 2.7556 3.4842 3.4842 3.8480 3.8480 5.0724 5.0724 5.2668 5.2668 6.8569 6.8569 7.5029 7.5029 7.7133 7.7133 7.8642 7.8642 8.8228 8.8228 10.2804 10.2804 10.4780 10.4780 10.5215 10.5215 k = 0.0645 0.0512-0.0000 ( 9284 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9964 -34.9953 -34.9953 -34.7172 -34.7172 -34.7159 -34.7159 -34.7001 -34.7001 -34.6991 -34.6991 -5.8546 -5.8546 -2.4544 -2.4544 -2.1808 -2.1808 -2.1784 -2.1784 -1.6160 -1.6160 1.6165 1.6165 2.3641 2.3641 2.4514 2.4514 2.7956 2.7956 3.4433 3.4433 3.9024 3.9024 5.0810 5.0810 5.2754 5.2754 6.8262 6.8262 7.4673 7.4673 7.6563 7.6563 7.8910 7.8910 8.8323 8.8323 10.2120 10.2120 10.5040 10.5040 10.5526 10.5526 k = 0.0806 0.0640-0.0000 ( 9288 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9964 -34.9953 -34.9953 -34.7172 -34.7172 -34.7159 -34.7159 -34.7001 -34.7001 -34.6991 -34.6991 -5.8445 -5.8445 -2.5572 -2.5572 -2.1839 -2.1839 -2.1815 -2.1815 -1.5123 -1.5123 1.5777 1.5777 2.3769 2.3769 2.4723 2.4723 2.8440 2.8440 3.4042 3.4042 3.9593 3.9593 5.0919 5.0919 5.2862 5.2862 6.7879 6.7879 7.4233 7.4233 7.5864 7.5864 7.9253 7.9253 8.8446 8.8446 10.1328 10.1328 10.5350 10.5350 10.5895 10.5895 k = 0.0968 0.0768-0.0000 ( 9284 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9964 -34.9964 -34.9953 -34.9953 -34.7172 -34.7172 -34.7159 -34.7159 -34.7001 -34.7001 -34.6991 -34.6991 -5.8321 -5.8321 -2.6594 -2.6594 -2.1874 -2.1874 -2.1851 -2.1851 -1.4090 -1.4090 1.5348 1.5348 2.3933 2.3933 2.4958 2.4958 2.8990 2.8990 3.3683 3.3683 4.0178 4.0178 5.1049 5.1049 5.2991 5.2991 6.7426 6.7426 7.3721 7.3721 7.5056 7.5056 7.9672 7.9672 8.8594 8.8594 10.0459 10.0459 10.5678 10.5678 10.6289 10.6289 k = 0.1129 0.0897-0.0000 ( 9264 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9953 -34.9953 -34.7172 -34.7172 -34.7159 -34.7159 -34.7001 -34.7001 -34.6991 -34.6991 -5.8175 -5.8175 -2.7609 -2.7609 -2.1916 -2.1916 -2.1892 -2.1892 -1.3065 -1.3065 1.4889 1.4889 2.4130 2.4130 2.5216 2.5216 2.9583 2.9583 3.3370 3.3370 4.0773 4.0773 5.1199 5.1199 5.3139 5.3139 6.6911 6.6911 7.3150 7.3150 7.4158 7.4158 8.0164 8.0164 8.8768 8.8768 9.9536 9.9536 10.5985 10.5985 10.6668 10.6668 k = 0.1290 0.1025-0.0000 ( 9256 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9953 -34.9953 -34.7171 -34.7171 -34.7159 -34.7159 -34.7000 -34.7000 -34.6991 -34.6991 -5.8007 -5.8007 -2.8616 -2.8616 -2.1962 -2.1962 -2.1939 -2.1939 -1.2050 -1.2050 1.4412 1.4412 2.4360 2.4360 2.5498 2.5498 3.0193 3.0193 3.3126 3.3126 4.1373 4.1373 5.1367 5.1367 5.3302 5.3302 6.6344 6.6344 7.2531 7.2531 7.3192 7.3192 8.0730 8.0730 8.8966 8.8966 9.8575 9.8575 10.6221 10.6221 10.6971 10.6971 k = 0.1452 0.1153-0.0000 ( 9272 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9953 -34.9953 -34.7171 -34.7171 -34.7159 -34.7159 -34.7000 -34.7000 -34.6991 -34.6991 -5.7817 -5.7817 -2.9614 -2.9614 -2.2013 -2.2013 -2.1990 -2.1990 -1.1046 -1.1046 1.3925 1.3925 2.4619 2.4619 2.5804 2.5804 3.0769 3.0769 3.2991 3.2991 4.1975 4.1975 5.1548 5.1548 5.3478 5.3478 6.5730 6.5730 7.1877 7.1877 7.2176 7.2176 8.1366 8.1366 8.9187 8.9187 9.7589 9.7589 10.6319 10.6319 10.7121 10.7121 k = 0.1613 0.1281-0.0000 ( 9256 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9953 -34.9953 -34.7171 -34.7171 -34.7159 -34.7159 -34.7000 -34.7000 -34.6991 -34.6991 -5.7604 -5.7604 -3.0603 -3.0603 -2.2068 -2.2068 -2.2045 -2.2045 -1.0057 -1.0057 1.3434 1.3434 2.4906 2.4906 2.6133 2.6133 3.1220 3.1220 3.3053 3.3053 4.2577 4.2577 5.1741 5.1741 5.3661 5.3661 6.5080 6.5080 7.1127 7.1127 7.1202 7.1202 8.2073 8.2073 8.9429 8.9429 9.6590 9.6590 10.6208 10.6208 10.7031 10.7031 k = 0.1774 0.1409-0.0000 ( 9248 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9953 -34.9953 -34.7171 -34.7171 -34.7159 -34.7159 -34.7000 -34.7000 -34.6991 -34.6991 -5.7369 -5.7369 -3.1581 -3.1581 -2.2125 -2.2125 -2.2103 -2.2103 -0.9084 -0.9084 1.2942 1.2942 2.5218 2.5218 2.6485 2.6485 3.1456 3.1456 3.3398 3.3398 4.3177 4.3177 5.1939 5.1939 5.3846 5.3846 6.4400 6.4400 7.0068 7.0068 7.0515 7.0515 8.2847 8.2847 8.9690 8.9690 9.5587 9.5587 10.5831 10.5831 10.6635 10.6635 k = 0.1935 0.1537-0.0000 ( 9224 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9953 -34.9953 -34.7171 -34.7171 -34.7159 -34.7159 -34.7000 -34.7000 -34.6991 -34.6991 -5.7112 -5.7112 -3.2549 -3.2549 -2.2186 -2.2186 -2.2163 -2.2163 -0.8129 -0.8129 1.2454 1.2454 2.5553 2.5553 2.6857 2.6857 3.1527 3.1527 3.3973 3.3973 4.3772 4.3772 5.2138 5.2138 5.4023 5.4023 6.3695 6.3695 6.9015 6.9015 6.9831 6.9831 8.3686 8.3686 8.9967 8.9967 9.4590 9.4590 10.5178 10.5178 10.5934 10.5934 k = 0.2097 0.1665-0.0000 ( 9244 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9963 -34.9963 -34.9953 -34.9953 -34.7171 -34.7171 -34.7159 -34.7159 -34.7000 -34.7000 -34.6991 -34.6991 -5.6833 -5.6833 -3.3504 -3.3504 -2.2248 -2.2248 -2.2226 -2.2226 -0.7195 -0.7195 1.1972 1.1972 2.5909 2.5909 2.7248 2.7248 3.1542 3.1542 3.4663 3.4663 4.4362 4.4362 5.2330 5.2330 5.4183 5.4183 6.2972 6.2972 6.7992 6.7992 6.9159 6.9159 8.4586 8.4586 9.0255 9.0255 9.3605 9.3605 10.4284 10.4284 10.4982 10.4982 k = 0.2258 0.1793-0.0000 ( 9248 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9962 -34.9953 -34.9953 -34.7170 -34.7170 -34.7160 -34.7160 -34.7000 -34.7000 -34.6991 -34.6991 -5.6532 -5.6532 -3.4448 -3.4448 -2.2311 -2.2311 -2.2290 -2.2290 -0.6285 -0.6285 1.1497 1.1497 2.6283 2.6283 2.7655 2.7655 3.1564 3.1564 3.5402 3.5402 4.4942 4.4942 5.2507 5.2507 5.4314 5.4314 6.2232 6.2232 6.7024 6.7024 6.8514 6.8514 8.5542 8.5542 9.0550 9.0550 9.2641 9.2641 10.3214 10.3214 10.3857 10.3857 k = 0.2419 0.1921-0.0000 ( 9248 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9962 -34.9954 -34.9954 -34.7170 -34.7170 -34.7160 -34.7160 -34.6999 -34.6999 -34.6992 -34.6992 -5.6210 -5.6210 -3.5379 -3.5379 -2.2375 -2.2375 -2.2354 -2.2354 -0.5400 -0.5400 1.1031 1.1031 2.6675 2.6675 2.8077 2.8077 3.1621 3.1621 3.6157 3.6157 4.5513 4.5513 5.2660 5.2660 5.4403 5.4403 6.1477 6.1477 6.6140 6.6140 6.7908 6.7908 8.6547 8.6547 9.0837 9.0837 9.1713 9.1713 10.2028 10.2028 10.2625 10.2625 k = 0.2581 0.2049-0.0000 ( 9232 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9962 -34.9962 -34.9954 -34.9954 -34.7170 -34.7170 -34.7160 -34.7160 -34.6999 -34.6999 -34.6992 -34.6992 -5.5865 -5.5865 -3.6297 -3.6297 -2.2439 -2.2439 -2.2419 -2.2419 -0.4543 -0.4543 1.0575 1.0575 2.7080 2.7080 2.8510 2.8510 3.1724 3.1724 3.6909 3.6909 4.6071 4.6071 5.2775 5.2775 5.4434 5.4434 6.0704 6.0704 6.5372 6.5372 6.7353 6.7353 8.7584 8.7584 9.0740 9.0740 9.1206 9.1206 10.0775 10.0775 10.1336 10.1336 k = 0.2742 0.2177-0.0000 ( 9204 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9954 -34.9954 -34.7169 -34.7169 -34.7160 -34.7160 -34.6999 -34.6999 -34.6992 -34.6992 -5.5499 -5.5499 -3.7201 -3.7201 -2.2502 -2.2502 -2.2483 -2.2483 -0.3716 -0.3716 1.0129 1.0129 2.7499 2.7499 2.8952 2.8952 3.1880 3.1880 3.7644 3.7644 4.6614 4.6614 5.2840 5.2840 5.4396 5.4396 5.9913 5.9913 6.4749 6.4749 6.6862 6.6862 8.8611 8.8611 8.9919 8.9919 9.1482 9.1482 9.9491 9.9491 10.0023 10.0023 k = 0.2903 0.2305-0.0000 ( 9188 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9954 -34.9954 -34.7169 -34.7169 -34.7160 -34.7160 -34.6998 -34.6998 -34.6992 -34.6992 -5.5112 -5.5112 -3.8090 -3.8090 -2.2563 -2.2563 -2.2545 -2.2545 -0.2921 -0.2921 0.9693 0.9693 2.7929 2.7929 2.9398 2.9398 3.2091 3.2091 3.8349 3.8349 4.7140 4.7140 5.2840 5.2840 5.4284 5.4284 5.9107 5.9107 6.4290 6.4290 6.6445 6.6445 8.8987 8.8987 8.9691 8.9691 9.1842 9.1842 9.8203 9.8203 9.8711 9.8711 k = 0.3065 0.2433-0.0000 ( 9184 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9961 -34.9954 -34.9954 -34.7169 -34.7169 -34.7160 -34.7160 -34.6998 -34.6998 -34.6992 -34.6992 -5.4703 -5.4703 -3.8966 -3.8966 -2.2623 -2.2623 -2.2606 -2.2606 -0.2158 -0.2158 0.9267 0.9267 2.8370 2.8370 2.9844 2.9844 3.2356 3.2356 3.9009 3.9009 4.7646 4.7646 5.2759 5.2759 5.4106 5.4106 5.8296 5.8296 6.4003 6.4003 6.6113 6.6113 8.8258 8.8258 9.0355 9.0355 9.2413 9.2413 9.6931 9.6931 9.7418 9.7418 k = 0.3226 0.2562-0.0000 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9961 -34.9954 -34.9954 -34.7169 -34.7169 -34.7161 -34.7161 -34.6998 -34.6998 -34.6992 -34.6992 -5.4273 -5.4273 -3.9826 -3.9826 -2.2680 -2.2680 -2.2664 -2.2664 -0.1430 -0.1430 0.8850 0.8850 2.8821 2.8821 3.0288 3.0288 3.2672 3.2672 3.9608 3.9608 4.8128 4.8128 5.2586 5.2586 5.3878 5.3878 5.7496 5.7496 6.3875 6.3875 6.5871 6.5871 8.7541 8.7541 9.0627 9.0627 9.3322 9.3322 9.5695 9.5695 9.6159 9.6159 k = 0.3387 0.2690-0.0000 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9960 -34.9955 -34.9955 -34.7168 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6992 -34.6992 -5.3822 -5.3822 -4.0670 -4.0670 -2.2734 -2.2734 -2.2719 -2.2719 -0.0736 -0.0736 0.8442 0.8442 2.9280 2.9280 3.0724 3.0724 3.3036 3.3036 4.0129 4.0129 4.8582 4.8582 5.2324 5.2324 5.3621 5.3621 5.6724 5.6724 6.3885 6.3885 6.5718 6.5718 8.6881 8.6881 9.0541 9.0541 9.4290 9.4290 9.4656 9.4656 9.4974 9.4974 k = 0.3548 0.2818-0.0000 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9960 -34.9955 -34.9955 -34.7168 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.3350 -5.3350 -4.1499 -4.1499 -2.2784 -2.2784 -2.2770 -2.2770 -0.0076 -0.0076 0.8042 0.8042 2.9746 2.9746 3.1145 3.1145 3.3443 3.3443 4.0552 4.0552 4.9004 4.9004 5.1993 5.1993 5.3350 5.3350 5.5996 5.5996 6.4005 6.4005 6.5650 6.5650 8.6289 8.6289 9.0210 9.0210 9.3325 9.3325 9.3763 9.3763 9.5802 9.5802 k = 0.3710 0.2946-0.0000 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9960 -34.9955 -34.9955 -34.7168 -34.7168 -34.7162 -34.7162 -34.6997 -34.6997 -34.6993 -34.6993 -5.2857 -5.2857 -4.2312 -4.2312 -2.2830 -2.2830 -2.2817 -2.2817 0.0549 0.0549 0.7648 0.7648 3.0214 3.0214 3.1547 3.1547 3.3888 3.3888 4.0855 4.0855 4.9386 4.9386 5.1627 5.1627 5.3074 5.3074 5.5325 5.5325 6.4209 6.4209 6.5655 6.5655 8.5772 8.5772 8.9706 8.9706 9.2262 9.2262 9.2667 9.2667 9.7108 9.7108 k = 0.3871 0.3074-0.0000 ( 9192 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9960 -34.9955 -34.9955 -34.7167 -34.7167 -34.7162 -34.7162 -34.6997 -34.6997 -34.6993 -34.6993 -5.2344 -5.2344 -4.3108 -4.3108 -2.2871 -2.2871 -2.2860 -2.2860 0.1141 0.1141 0.7260 0.7260 3.0679 3.0679 3.1920 3.1920 3.4370 3.4370 4.1020 4.1020 4.9723 4.9723 5.1267 5.1267 5.2805 5.2805 5.4722 5.4722 6.4469 6.4469 6.5718 6.5718 8.5337 8.5337 8.9091 8.9091 9.1276 9.1276 9.1645 9.1645 9.8409 9.8409 k = 0.4032 0.3202-0.0000 ( 9184 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9955 -34.9955 -34.7167 -34.7167 -34.7162 -34.7162 -34.6997 -34.6997 -34.6993 -34.6993 -5.1810 -5.1810 -4.3887 -4.3887 -2.2908 -2.2908 -2.2898 -2.2898 0.1701 0.1701 0.6875 0.6875 3.1133 3.1133 3.2257 3.2257 3.4884 3.4884 4.1033 4.1033 5.0001 5.0001 5.0946 5.0946 5.2559 5.2559 5.4190 5.4190 6.4762 6.4762 6.5820 6.5820 8.4992 8.4992 8.8418 8.8418 9.0384 9.0384 9.0712 9.0712 9.9628 9.9628 k = 0.4194 0.3330-0.0000 ( 9188 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7167 -34.7163 -34.7163 -34.6996 -34.6996 -34.6993 -34.6993 -5.1256 -5.1256 -4.4649 -4.4649 -2.2940 -2.2940 -2.2931 -2.2931 0.2232 0.2232 0.6493 0.6493 3.1565 3.1565 3.2546 3.2546 3.5429 3.5429 4.0890 4.0890 5.0208 5.0208 5.0684 5.0684 5.2360 5.2360 5.3734 5.3734 6.5067 6.5067 6.5941 6.5941 8.4741 8.4741 8.7732 8.7732 8.9601 8.9601 8.9881 8.9881 10.0698 10.0698 k = 0.4355 0.3458-0.0000 ( 9192 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6996 -34.6996 -34.6994 -34.6994 -5.0682 -5.0682 -4.5393 -4.5393 -2.2965 -2.2965 -2.2959 -2.2959 0.2735 0.2735 0.6110 0.6110 3.1964 3.1964 3.2779 3.2779 3.6003 3.6003 4.0603 4.0603 5.0330 5.0330 5.0491 5.0491 5.2233 5.2233 5.3352 5.3352 6.5365 6.5365 6.6060 6.6060 8.4591 8.4591 8.7067 8.7067 8.8939 8.8939 8.9169 8.9169 10.1625 10.1625 k = 0.4516 0.3586-0.0000 ( 9200 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6996 -34.6996 -34.6994 -34.6994 -5.0088 -5.0088 -4.6119 -4.6119 -2.2986 -2.2986 -2.2981 -2.2981 0.3214 0.3214 0.5724 0.5724 3.2317 3.2317 3.2946 3.2946 3.6604 3.6604 4.0191 4.0191 5.0345 5.0345 5.0387 5.0387 5.2189 5.2189 5.3040 5.3040 6.5637 6.5637 6.6157 6.6157 8.4546 8.4546 8.6450 8.6450 8.8413 8.8413 8.8588 8.8588 10.2482 10.2482 k = 0.4677 0.3714-0.0000 ( 9220 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6996 -34.6996 -34.6994 -34.6994 -4.9474 -4.9474 -4.6828 -4.6828 -2.3000 -2.3000 -2.2997 -2.2997 0.3670 0.3670 0.5334 0.5334 3.2612 3.2612 3.3040 3.3040 3.7225 3.7225 3.9683 3.9683 5.0281 5.0281 5.0358 5.0358 5.2220 5.2220 5.2789 5.2789 6.5869 6.5869 6.6216 6.6216 8.4608 8.4608 8.5899 8.5899 8.8036 8.8036 8.8154 8.8154 10.3328 10.3328 k = 0.4839 0.3842-0.0000 ( 9200 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8841 -4.8841 -4.7518 -4.7518 -2.3008 -2.3008 -2.3007 -2.3007 0.4107 0.4107 0.4936 0.4936 3.2837 3.2837 3.3054 3.3054 3.7859 3.7859 3.9107 3.9107 5.0257 5.0257 5.0312 5.0312 5.2306 5.2306 5.2589 5.2589 6.6048 6.6048 6.6222 6.6222 8.4778 8.4778 8.5430 8.5430 8.7817 8.7817 8.7876 8.7876 10.4192 10.4192 k = 0.5000 0.3970-0.0000 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9957 -34.9957 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7165 -34.6995 -34.6995 -34.6995 -34.6995 -4.8189 -4.8189 -4.8189 -4.8189 -2.3011 -2.3011 -2.3011 -2.3011 0.4528 0.4528 0.4528 0.4528 3.2986 3.2986 3.2986 3.2986 3.8492 3.8492 3.8492 3.8492 5.0271 5.0271 5.0271 5.0271 5.2430 5.2430 5.2430 5.2430 6.6167 6.6167 6.6167 6.6167 8.5054 8.5054 8.5054 8.5054 8.7763 8.7763 8.7763 8.7763 10.5082 10.5082 k = 0.5000 0.3970-0.0000 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9957 -34.9957 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7165 -34.6995 -34.6995 -34.6995 -34.6995 -4.8189 -4.8189 -4.8189 -4.8189 -2.3011 -2.3011 -2.3011 -2.3011 0.4528 0.4528 0.4528 0.4528 3.2986 3.2986 3.2986 3.2986 3.8492 3.8492 3.8492 3.8492 5.0271 5.0271 5.0271 5.0271 5.2430 5.2430 5.2430 5.2430 6.6167 6.6167 6.6167 6.6167 8.5054 8.5054 8.5054 8.5054 8.7763 8.7763 8.7763 8.7763 10.5082 10.5082 k = 0.4910 0.4084 0.0145 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7165 -34.6995 -34.6995 -34.6995 -34.6995 -4.8194 -4.8189 -4.8180 -4.8176 -2.3044 -2.3041 -2.3008 -2.3006 0.4500 0.4543 0.4582 0.4585 3.2709 3.2909 3.3028 3.3177 3.8312 3.8385 3.8508 3.8722 4.9738 5.0130 5.0350 5.0701 5.2042 5.2193 5.2763 5.2928 6.6095 6.6112 6.6159 6.6269 8.4925 8.4983 8.5096 8.5132 8.7797 8.7807 8.7864 8.7939 10.5127 10.5136 k = 0.4820 0.4197 0.0290 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7165 -34.6995 -34.6995 -34.6995 -34.6995 -4.8203 -4.8193 -4.8148 -4.8141 -2.3140 -2.3134 -2.2998 -2.2993 0.4461 0.4549 0.4743 0.4747 3.2365 3.2797 3.3034 3.3265 3.8094 3.8300 3.8414 3.8998 4.9137 4.9850 5.0418 5.1006 5.1836 5.2026 5.3209 5.3480 6.5969 6.5972 6.6177 6.6423 8.4660 8.4751 8.5256 8.5328 8.7919 8.7936 8.8196 8.8324 10.5279 10.5301 k = 0.4730 0.4311 0.0435 ( 9200 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8217 -4.8202 -4.8095 -4.8084 -2.3296 -2.3286 -2.2980 -2.2973 0.4411 0.4542 0.5007 0.5014 3.1974 3.2649 3.3005 3.3244 3.7774 3.8216 3.8326 3.9304 4.8493 4.9408 5.0491 5.1208 5.1807 5.1911 5.3759 5.4059 6.5749 6.5751 6.6258 6.6630 8.4344 8.4443 8.5535 8.5638 8.8122 8.8149 8.8677 8.8834 10.5535 10.5568 k = 0.4640 0.4424 0.0580 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8237 -4.8217 -4.8020 -4.8006 -2.3505 -2.3493 -2.2955 -2.2946 0.4350 0.4523 0.5367 0.5378 3.1551 3.2464 3.2941 3.3123 3.7377 3.7925 3.8448 3.9626 4.7825 4.8852 5.0562 5.1359 5.1835 5.1867 5.4386 5.4657 6.5449 6.5450 6.6400 6.6888 8.4029 8.4124 8.5927 8.6056 8.8409 8.8446 8.9243 8.9417 10.5893 10.5930 k = 0.4550 0.4538 0.0724 ( 9206 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8262 -4.8237 -4.7923 -4.7905 -2.3762 -2.3746 -2.2922 -2.2912 0.4276 0.4490 0.5817 0.5832 3.1108 3.2244 3.2843 3.2921 3.6925 3.7559 3.8648 3.9952 4.7143 4.8232 5.0624 5.1482 5.1788 5.1949 5.5065 5.5274 6.5074 6.5082 6.6600 6.7191 8.3746 8.3827 8.6428 8.6577 8.8776 8.8826 8.9858 9.0045 10.6347 10.6383 k = 0.4459 0.4651 0.0869 ( 9192 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8295 -4.8265 -4.7804 -4.7782 -2.4057 -2.4038 -2.2882 -2.2870 0.4188 0.4442 0.6347 0.6366 3.0655 3.1988 3.2662 3.2710 3.6434 3.7136 3.8906 4.0273 4.6454 4.7578 5.0669 5.1574 5.1758 5.2035 5.5780 5.5909 6.4634 6.4654 6.6854 6.7537 8.3510 8.3574 8.7030 8.7195 8.9225 8.9287 9.0505 9.0700 10.6891 10.6918 k = 0.4369 0.4765 0.1014 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8335 -4.8300 -4.7663 -4.7638 -2.4384 -2.4361 -2.2836 -2.2822 0.4086 0.4378 0.6945 0.6971 3.0202 3.1698 3.2366 3.2544 3.5923 3.6674 3.9201 4.0582 4.5767 4.6906 5.0701 5.1621 5.1725 5.2120 5.6517 5.6564 6.4140 6.4178 6.7157 6.7917 8.3332 8.3374 8.7727 8.7901 8.9752 8.9830 9.1170 9.1374 10.7513 10.7522 k = 0.4279 0.4878 0.1159 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7166 -34.7165 -34.7165 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8384 -4.8345 -4.7500 -4.7472 -2.4732 -2.4706 -2.2783 -2.2767 0.3968 0.4296 0.7601 0.7636 2.9755 3.1381 3.2049 3.2347 3.5405 3.6190 3.9520 4.0873 4.5087 4.6226 5.0724 5.1613 5.1674 5.2208 5.7236 5.7266 6.3605 6.3663 6.7504 6.8328 8.3216 8.3234 8.8510 8.8690 9.0357 9.0451 9.1848 9.2060 10.8180 10.8199 k = 0.4189 0.4992 0.1304 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7166 -34.7165 -34.7165 -34.7164 -34.6996 -34.6995 -34.6995 -34.6995 -4.8444 -4.8400 -4.7316 -4.7285 -2.5094 -2.5064 -2.2723 -2.2705 0.3833 0.4193 0.8302 0.8348 2.9322 3.1044 3.1718 3.2121 3.4895 3.5698 3.9849 4.1134 4.4426 4.5547 5.0738 5.1543 5.1599 5.2302 5.7918 5.8013 6.3044 6.3123 6.7888 6.8761 8.3158 8.3166 8.9372 8.9554 9.1037 9.1147 9.2533 9.2754 10.8874 10.8930 k = 0.4099 0.5105 0.1449 ( 9206 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9957 -34.9956 -34.7166 -34.7165 -34.7165 -34.7164 -34.6996 -34.6996 -34.6995 -34.6995 -4.8515 -4.8467 -4.7111 -4.7076 -2.5461 -2.5428 -2.2658 -2.2638 0.3679 0.4069 0.9036 0.9095 2.8906 3.0695 3.1379 3.1868 3.4405 3.5212 4.0179 4.1347 4.3803 4.4876 5.0725 5.1410 5.1517 5.2404 5.8599 5.8741 6.2479 6.2574 6.8300 6.9209 8.3147 8.3182 9.0304 9.0485 9.1788 9.1915 9.3221 9.3454 10.9582 10.9679 k = 0.4009 0.5218 0.1594 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9957 -34.9956 -34.7166 -34.7165 -34.7165 -34.7163 -34.6996 -34.6996 -34.6995 -34.6995 -4.8600 -4.8547 -4.6884 -4.6845 -2.5826 -2.5790 -2.2586 -2.2565 0.3505 0.3922 0.9788 0.9865 2.8515 3.0343 3.1036 3.1593 3.3948 3.4745 4.0500 4.1470 4.3264 4.4223 5.0646 5.1215 5.1470 5.2516 5.9248 5.9404 6.1954 6.2046 6.8732 6.9664 8.3200 8.3264 9.1295 9.1476 9.2608 9.2751 9.3909 9.4156 11.0281 11.0415 k = 0.3919 0.5332 0.1739 ( 9214 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9958 -34.9956 -34.7166 -34.7165 -34.7165 -34.7163 -34.6996 -34.6996 -34.6994 -34.6994 -4.8698 -4.8641 -4.6637 -4.6594 -2.6182 -2.6142 -2.2510 -2.2487 0.3310 0.3749 1.0546 1.0644 2.8151 2.9994 3.0692 3.1299 3.3536 3.4311 4.0794 4.1407 4.2905 4.3602 5.0459 5.0959 5.1502 5.2640 5.9783 5.9868 6.1610 6.1626 6.9174 7.0115 8.3318 8.3410 9.2337 9.2518 9.3491 9.3647 9.4593 9.4857 11.0947 11.1101 k = 0.3829 0.5445 0.1883 ( 9206 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9957 -34.9956 -34.7166 -34.7165 -34.7165 -34.7163 -34.6996 -34.6996 -34.6994 -34.6994 -4.8813 -4.8752 -4.6368 -4.6322 -2.6522 -2.6480 -2.2428 -2.2403 0.3091 0.3549 1.1293 1.1418 2.7819 2.9650 3.0356 3.0990 3.3183 3.3923 4.1030 4.1086 4.2800 4.3046 5.0167 5.0647 5.1615 5.2777 5.9850 5.9953 6.1562 6.1730 6.9615 7.0554 8.3496 8.3617 9.3419 9.3602 9.4430 9.4595 9.5271 9.5556 11.1548 11.1697 k = 0.3739 0.5559 0.2028 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9957 -34.9956 -34.7167 -34.7165 -34.7165 -34.7163 -34.6996 -34.6996 -34.6994 -34.6994 -4.8944 -4.8880 -4.6078 -4.6029 -2.6842 -2.6796 -2.2342 -2.2316 0.2849 0.3320 1.2014 1.2170 2.7521 2.9309 3.0036 3.0670 3.2902 3.3596 4.0598 4.1123 4.2637 4.2858 4.9795 5.0282 5.1792 5.2929 5.9437 5.9654 6.1960 6.2228 7.0046 7.0969 8.3732 8.3883 9.4527 9.4717 9.5414 9.5581 9.5942 9.6254 11.1941 11.2097 k = 0.3649 0.5672 0.2173 ( 9208 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9957 -34.9956 -34.7167 -34.7165 -34.7164 -34.7163 -34.6996 -34.6996 -34.6994 -34.6994 -4.9094 -4.9026 -4.5768 -4.5715 -2.7135 -2.7087 -2.2252 -2.2225 0.2581 0.3062 1.2691 1.2886 2.7258 2.8965 2.9746 3.0341 3.2708 3.3346 4.0052 4.0950 4.2498 4.2973 4.9362 4.9871 5.2017 5.3094 5.8907 5.9167 6.2537 6.2833 7.0453 7.1350 8.4022 8.4203 9.5646 9.5850 9.6385 9.6563 9.6647 9.6975 11.1926 11.2137 k = 0.3558 0.5786 0.2318 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.9262 -4.9191 -4.5438 -4.5381 -2.7399 -2.7348 -2.2159 -2.2130 0.2288 0.2774 1.3309 1.3548 2.7031 2.8607 2.9501 3.0007 3.2616 3.3191 3.9493 4.0547 4.2591 4.3099 4.8879 4.9419 5.2285 5.3269 5.8363 5.8639 6.3147 6.3444 7.0826 7.1686 8.4362 8.4575 9.6758 9.6984 9.7111 9.7391 9.7598 9.7847 11.1731 11.1930 k = 0.3468 0.5899 0.2463 ( 9188 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.9449 -4.9376 -4.5088 -4.5027 -2.7630 -2.7576 -2.2062 -2.2032 0.1969 0.2455 1.3853 1.4143 2.6838 2.8233 2.9310 2.9670 3.2642 3.3149 3.8942 4.0053 4.2772 4.3216 4.8357 4.8932 5.2589 5.3448 5.7845 5.8114 6.3745 6.4030 7.1153 7.1964 8.4746 8.4992 9.7648 9.7883 9.7969 9.8162 9.8668 9.8872 11.1456 11.1614 k = 0.3378 0.6013 0.2608 ( 9188 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7164 -34.7162 -34.6997 -34.6996 -34.6994 -34.6994 -4.9656 -4.9581 -4.4718 -4.4654 -2.7825 -2.7769 -2.1963 -2.1932 0.1624 0.2106 1.4309 1.4655 2.6673 2.7841 2.9173 2.9337 3.2795 3.3233 3.8408 3.9540 4.2968 4.3315 4.7802 4.8416 5.2925 5.3620 5.7381 5.7610 6.4310 6.4572 7.1423 7.2175 8.5169 8.5451 9.8146 9.8514 9.8921 9.9234 9.9745 9.9921 11.1188 11.1304 k = 0.3288 0.6126 0.2753 ( 9182 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7161 -34.6997 -34.6996 -34.6993 -34.6993 -4.9883 -4.9806 -4.4328 -4.4260 -2.7982 -2.7925 -2.1862 -2.1830 0.1253 0.1726 1.4670 1.5076 2.6529 2.7437 2.9016 2.9088 3.3086 3.3454 3.7896 3.9034 4.3148 4.3391 4.7221 4.7878 5.3287 5.3766 5.7001 5.7143 6.4831 6.5060 7.1625 7.2310 8.5624 8.5945 9.8542 9.8928 9.9894 10.0275 10.0798 10.0942 11.1006 11.1096 k = 0.3288 0.6126 0.2753 ( 9182 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7164 -34.7161 -34.6997 -34.6996 -34.6993 -34.6993 -4.9883 -4.9806 -4.4328 -4.4260 -2.7982 -2.7925 -2.1862 -2.1830 0.1253 0.1726 1.4670 1.5076 2.6529 2.7437 2.9016 2.9088 3.3086 3.3454 3.7896 3.9034 4.3148 4.3391 4.7221 4.7878 5.3287 5.3766 5.7001 5.7143 6.4831 6.5060 7.1625 7.2310 8.5624 8.5945 9.8542 9.8928 9.9894 10.0275 10.0798 10.0942 11.1006 11.1096 k = 0.3106 0.6071 0.2823 ( 9198 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6997 -34.6997 -34.6994 -34.6993 -5.0021 -4.9945 -4.4105 -4.4037 -2.8033 -2.7975 -2.1815 -2.1783 0.1036 0.1501 1.4828 1.5265 2.6454 2.7219 2.8847 2.9051 3.3298 3.3648 3.7684 3.8823 4.3091 4.3456 4.6882 4.7623 5.3449 5.3837 5.6858 5.6987 6.5068 6.5289 7.1681 7.2322 8.5900 8.6246 9.8685 9.9046 10.0053 10.0253 10.1773 10.1848 11.0982 11.1061 k = 0.2923 0.6016 0.2893 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6997 -34.6997 -34.6993 -34.6993 -5.0196 -5.0122 -4.3839 -4.3772 -2.8049 -2.7991 -2.1774 -2.1742 0.0760 0.1211 1.5001 1.5468 2.6364 2.6965 2.8652 2.9004 3.3577 3.3925 3.7534 3.8677 4.2844 4.3480 4.6487 4.7391 5.3573 5.3943 5.6748 5.6928 6.5295 6.5524 7.1684 7.2263 8.6269 8.6652 9.8779 9.9078 10.0030 10.0081 10.2896 10.3093 11.0999 11.1031 k = 0.2740 0.5961 0.2964 ( 9198 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0393 -5.0323 -4.3546 -4.3483 -2.8029 -2.7970 -2.1742 -2.1709 0.0431 0.0863 1.5194 1.5689 2.6254 2.6688 2.8446 2.8956 3.3907 3.4253 3.7446 3.8592 4.2480 4.3364 4.6117 4.7170 5.3673 5.4086 5.6679 5.6927 6.5506 6.5757 7.1628 7.2129 8.6728 8.7159 9.8814 9.9055 9.9946 10.0030 10.4073 10.4362 11.0934 11.0947 k = 0.2558 0.5906 0.3034 ( 9193 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9959 -34.9956 -34.9955 -34.7168 -34.7166 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0601 -5.0535 -4.3242 -4.3183 -2.7971 -2.7911 -2.1719 -2.1686 0.0057 0.0463 1.5410 1.5928 2.6103 2.6416 2.8241 2.8911 3.4268 3.4609 3.7419 3.8561 4.2037 4.3074 4.5834 4.6948 5.3767 5.4255 5.6643 5.6976 6.5695 6.5972 7.1507 7.1921 8.7272 8.7762 9.8789 9.9027 9.9881 10.0053 10.5274 10.5641 11.0807 11.0840 k = 0.2375 0.5850 0.3105 ( 9203 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9955 -34.7168 -34.7167 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0812 -5.0751 -4.2938 -4.2884 -2.7873 -2.7812 -2.1709 -2.1675 -0.0356 0.0022 1.5649 1.6185 2.5873 2.6190 2.8052 2.8872 3.4639 3.4973 3.7448 3.8574 4.1552 4.2630 4.5640 4.6715 5.3867 5.4444 5.6631 5.7075 6.5856 6.6158 7.1318 7.1641 8.7895 8.8452 9.8737 9.9010 9.9898 10.0100 10.6492 10.6927 11.0646 11.0703 k = 0.2192 0.5795 0.3175 ( 9202 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7168 -34.7167 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1019 -5.0963 -4.2643 -4.2593 -2.7736 -2.7675 -2.1714 -2.1679 -0.0798 -0.0451 1.5911 1.6460 2.5578 2.6005 2.7886 2.8836 3.4996 3.5329 3.7530 3.8621 4.1067 4.2091 4.5503 4.6461 5.3980 5.4653 5.6637 5.7223 6.5981 6.6302 7.1057 7.1299 8.8593 8.9223 9.8692 9.8999 10.0012 10.0186 10.7718 10.8208 11.0447 11.0537 k = 0.2009 0.5740 0.3246 ( 9212 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7168 -34.7167 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1219 -5.1168 -4.2364 -4.2319 -2.7559 -2.7498 -2.1735 -2.1700 -0.1257 -0.0943 1.6194 1.6748 2.5264 2.5824 2.7745 2.8799 3.5313 3.5665 3.7656 3.8684 4.0634 4.1515 4.5385 4.6181 5.4109 5.4881 5.6663 5.7416 6.6065 6.6395 7.0716 7.0914 8.9358 9.0064 9.8669 9.8990 10.0232 10.0336 10.8916 10.9444 11.0217 11.0375 k = 0.1827 0.5685 0.3316 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7168 -34.7167 -34.7162 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1408 -5.1361 -4.2104 -4.2064 -2.7346 -2.7284 -2.1775 -2.1740 -0.1724 -0.1443 1.6492 1.7047 2.4956 2.5635 2.7627 2.8757 3.5558 3.5964 3.7819 3.8743 4.0309 4.0952 4.5260 4.5872 5.4258 5.5130 5.6712 5.7649 6.6104 6.6431 7.0292 7.0506 9.0182 9.0967 9.8667 9.8986 10.0519 10.0622 10.9704 10.9911 11.0410 11.0814 k = 0.1644 0.5630 0.3386 ( 9209 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9960 -34.9956 -34.9954 -34.7169 -34.7167 -34.7162 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1583 -5.1541 -4.1867 -4.1832 -2.7097 -2.7036 -2.1837 -2.1801 -0.2188 -0.1940 1.6802 1.7351 2.4669 2.5444 2.7523 2.8702 3.5702 3.6212 3.8008 3.8779 4.0140 4.0446 4.5114 4.5535 5.4432 5.5402 5.6784 5.7913 6.6095 6.6405 6.9805 7.0077 9.1059 9.1920 9.8682 9.8990 10.0848 10.1081 10.9535 10.9646 11.1427 11.1879 k = 0.1461 0.5575 0.3457 ( 9215 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1743 -5.1706 -4.1656 -4.1625 -2.6818 -2.6757 -2.1923 -2.1886 -0.2638 -0.2423 1.7116 1.7654 2.4413 2.5258 2.7425 2.8628 3.5732 3.6387 3.8204 3.8805 3.9979 4.0203 4.4937 4.5175 5.4632 5.5699 5.6875 5.8200 6.6040 6.6315 6.9291 6.9623 9.1977 9.2907 9.8713 9.9011 10.1264 10.1660 10.9218 10.9337 11.2422 11.2793 k = 0.1279 0.5520 0.3527 ( 9224 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.1886 -5.1854 -4.1471 -4.1444 -2.6512 -2.6453 -2.2033 -2.1996 -0.3063 -0.2879 1.7428 1.7947 2.4196 2.5083 2.7329 2.8529 3.5664 3.6468 3.8380 3.8851 3.9717 4.0340 4.4704 4.4818 5.4860 5.6022 5.6981 5.8496 6.5938 6.6164 6.8780 6.9152 9.2921 9.3908 9.8766 9.9062 10.1756 10.2328 10.8882 10.9009 11.3180 11.3421 k = 0.1096 0.5464 0.3598 ( 9226 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2011 -5.1984 -4.1312 -4.1289 -2.6187 -2.6129 -2.2169 -2.2131 -0.3454 -0.3299 1.7729 1.8219 2.4026 2.4924 2.7235 2.8400 3.5540 3.6441 3.8514 3.8903 3.9651 4.0580 4.4341 4.4540 5.5114 5.6364 5.7099 5.8788 6.5779 6.5966 6.8303 6.8679 9.3872 9.4888 9.8859 9.9168 10.2287 10.3050 10.8544 10.8677 11.3034 11.3422 k = 0.0913 0.5409 0.3668 ( 9227 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2118 -5.2095 -4.1179 -4.1161 -2.5850 -2.5794 -2.2329 -2.2292 -0.3801 -0.3675 1.8013 1.8460 2.3910 2.4781 2.7147 2.8239 3.5406 3.6318 3.8612 3.8924 3.9803 4.0875 4.3922 4.4274 5.5389 5.6692 5.7248 5.9056 6.5547 6.5754 6.7885 6.8226 9.4796 9.5786 9.9023 9.9373 10.2792 10.3767 10.8212 10.8341 11.2441 11.2766 k = 0.0731 0.5354 0.3738 ( 9231 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2206 -5.2188 -4.1072 -4.1057 -2.5512 -2.5459 -2.2511 -2.2474 -0.4095 -0.3996 1.8270 1.8659 2.3852 2.4650 2.7079 2.8050 3.5297 3.6133 3.8691 3.8934 4.0090 4.1204 4.3487 4.3987 5.5677 5.6920 5.7495 5.9273 6.5263 6.5543 6.7540 6.7815 9.5642 9.6512 9.9296 9.9761 10.3173 10.4381 10.7900 10.8004 11.1949 11.2177 k = 0.0548 0.5299 0.3809 ( 9227 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2274 -5.2260 -4.0989 -4.0978 -2.5185 -2.5138 -2.2707 -2.2671 -0.4329 -0.4256 1.8493 1.8807 2.3852 2.4524 2.7043 2.7841 3.5236 3.5921 3.8762 3.8943 4.0446 4.1551 4.3044 4.3678 5.5967 5.6997 5.7867 5.9407 6.4990 6.5324 6.7274 6.7472 9.6341 9.6989 9.9721 10.0404 10.3305 10.4733 10.7645 10.7691 11.1708 11.1868 k = 0.0365 0.5244 0.3879 ( 9224 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9955 -34.9954 -34.7169 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2322 -5.2313 -4.0930 -4.0923 -2.4892 -2.4853 -2.2898 -2.2867 -0.4498 -0.4450 1.8676 1.8897 2.3905 2.4394 2.7056 2.7626 3.5229 3.5714 3.8824 3.8946 4.0839 4.1901 4.2605 4.3350 5.6246 5.6973 5.8288 5.9424 6.4792 6.5101 6.7089 6.7213 9.6838 9.7237 10.0322 10.1268 10.3099 10.4636 10.7480 10.7489 11.1805 11.1940 k = 0.0183 0.5189 0.3950 ( 9227 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9955 -34.9955 -34.7169 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2350 -5.2346 -4.0894 -4.0891 -2.4668 -2.4645 -2.3049 -2.3030 -0.4596 -0.4572 1.8813 1.8927 2.4001 2.4259 2.7126 2.7424 3.5279 3.5529 3.8875 3.8937 4.1254 4.2077 4.2345 4.3008 5.6499 5.6874 5.8698 5.9304 6.4712 6.4899 6.6987 6.7047 9.7140 9.7322 10.1065 10.2241 10.2579 10.4073 10.7405 10.7416 11.2229 11.2333 k = 0.0000 0.5133 0.4020 ( 9218 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9955 -34.9955 -34.7168 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2358 -5.2358 -4.0881 -4.0881 -2.4572 -2.4572 -2.3104 -2.3104 -0.4622 -0.4622 1.8898 1.8898 2.4124 2.4124 2.7252 2.7252 3.5381 3.5381 3.8914 3.8914 4.1682 4.1682 4.2659 4.2659 5.6713 5.6713 5.9051 5.9051 6.4756 6.4756 6.6973 6.6973 9.7290 9.7290 10.1855 10.1855 10.3219 10.3219 10.7395 10.7395 11.2664 11.2664 k = 0.0000 0.5133 0.4020 ( 9218 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9955 -34.9955 -34.7168 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2358 -5.2358 -4.0881 -4.0881 -2.4572 -2.4572 -2.3104 -2.3104 -0.4622 -0.4622 1.8898 1.8898 2.4124 2.4124 2.7252 2.7252 3.5381 3.5381 3.8914 3.8914 4.1682 4.1682 4.2659 4.2659 5.6713 5.6713 5.9051 5.9051 6.4756 6.4756 6.6973 6.6973 9.7290 9.7290 10.1855 10.1855 10.3219 10.3219 10.7395 10.7395 11.2664 11.2664 k = 0.0093 0.5017 0.4169 ( 9216 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9955 -34.9954 -34.7169 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2350 -5.2346 -4.0888 -4.0882 -2.4591 -2.4586 -2.3109 -2.3107 -0.4605 -0.4603 1.8782 1.8837 2.4089 2.4213 2.7242 2.7292 3.5329 3.5488 3.8627 3.8806 4.1740 4.1955 4.2683 4.2811 5.6692 5.6750 5.9027 5.9099 6.4763 6.4772 6.6936 6.7033 9.7265 9.7301 10.1780 10.1810 10.3140 10.3145 10.7381 10.7417 11.2658 11.2673 k = 0.0185 0.4900 0.4318 ( 9224 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9961 -34.9955 -34.9954 -34.7169 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2322 -5.2314 -4.0902 -4.0890 -2.4641 -2.4631 -2.3123 -2.3120 -0.4555 -0.4550 1.8508 1.8607 2.4101 2.4337 2.7260 2.7360 3.5334 3.5650 3.8097 3.8383 4.2041 4.2374 4.2917 4.3148 5.6689 5.6804 5.9023 5.9171 6.4796 6.4809 6.6922 6.7116 9.7226 9.7299 10.1589 10.1631 10.2935 10.2946 10.7365 10.7443 11.2651 11.2679 k = 0.0278 0.4784 0.4467 ( 9218 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7161 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2274 -5.2261 -4.0924 -4.0906 -2.4721 -2.4706 -2.3146 -2.3142 -0.4470 -0.4463 1.8107 1.8236 2.4133 2.4463 2.7299 2.7447 3.5404 3.5876 3.7475 3.7824 4.2415 4.2737 4.3410 4.3661 5.6704 5.6872 5.9041 5.9267 6.4852 6.4867 6.6930 6.7221 9.7173 9.7281 10.1281 10.1310 10.2643 10.2699 10.7328 10.7458 11.2627 11.2658 k = 0.0370 0.4667 0.4616 ( 9220 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2206 -5.2189 -4.0955 -4.0931 -2.4829 -2.4809 -2.3179 -2.3173 -0.4352 -0.4344 1.7613 1.7759 2.4149 2.4557 2.7349 2.7540 3.5549 3.6170 3.6843 3.7238 4.2813 4.3089 4.4037 4.4289 5.6737 5.6955 5.9078 5.9389 6.4932 6.4940 6.6957 6.7346 9.7106 9.7249 10.0857 10.0859 10.2333 10.2450 10.7252 10.7443 11.2563 11.2586 k = 0.0463 0.4550 0.4765 ( 9224 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2118 -5.2097 -4.0995 -4.0965 -2.4960 -2.4936 -2.3220 -2.3214 -0.4202 -0.4193 1.7056 1.7208 2.4122 2.4593 2.7398 2.7621 3.5761 3.6263 3.6529 3.6693 4.3243 4.3490 4.4695 4.4970 5.6788 5.7050 5.9134 5.9537 6.5028 6.5033 6.7000 6.7487 9.7024 9.7202 10.0319 10.0338 10.2046 10.2217 10.7126 10.7384 11.2441 11.2444 k = 0.0556 0.4434 0.4914 ( 9224 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6998 -34.6998 -34.6993 -34.6993 -5.2010 -5.1985 -4.1046 -4.1009 -2.5112 -2.5084 -2.3271 -2.3264 -0.4021 -0.4012 1.6458 1.6610 2.4032 2.4552 2.7425 2.7673 3.5664 3.6149 3.6195 3.6983 4.3714 4.3951 4.5344 4.5665 5.6857 5.7158 5.9207 5.9712 6.5127 6.5152 6.7057 6.7638 9.6928 9.7138 9.9737 9.9758 10.1800 10.2006 10.6942 10.7267 11.2230 11.2256 k = 0.0648 0.4317 0.5062 ( 9208 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1883 -5.1853 -4.1109 -4.1066 -2.5278 -2.5249 -2.3332 -2.3323 -0.3811 -0.3802 1.5835 1.5984 2.3872 2.4429 2.7410 2.7672 3.5264 3.5820 3.6524 3.7485 4.4228 4.4468 4.5967 4.6349 5.6942 5.7278 5.9297 5.9913 6.5235 6.5283 6.7123 6.7793 9.6817 9.7059 9.9151 9.9157 10.1597 10.1823 10.6693 10.7084 11.1959 11.2020 k = 0.0741 0.4201 0.5211 ( 9202 PWs) bands (ev): -68.0521 -68.0521 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7168 -34.7162 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1737 -5.1703 -4.1184 -4.1136 -2.5455 -2.5424 -2.3403 -2.3393 -0.3574 -0.3566 1.5199 1.5342 2.3646 2.4226 2.7326 2.7594 3.4986 3.5582 3.6982 3.8038 4.4785 4.5037 4.6553 4.7008 5.7043 5.7408 5.9404 6.0140 6.5349 6.5421 6.7191 6.7944 9.6692 9.6964 9.8568 9.8591 10.1441 10.1673 10.6381 10.6827 11.1655 11.1754 k = 0.0833 0.4084 0.5360 ( 9194 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9960 -34.9955 -34.9954 -34.7169 -34.7167 -34.7162 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1571 -5.1533 -4.1275 -4.1220 -2.5638 -2.5606 -2.3483 -2.3472 -0.3312 -0.3305 1.4559 1.4695 2.3361 2.3952 2.7155 2.7419 3.4871 3.5504 3.7492 3.8627 4.5383 4.5649 4.7096 4.7632 5.7161 5.7549 5.9526 6.0390 6.5468 6.5562 6.7256 6.8082 9.6554 9.6850 9.8019 9.8078 10.1334 10.1565 10.6008 10.6497 11.1343 11.1479 k = 0.0926 0.3967 0.5509 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9960 -34.9956 -34.9954 -34.7169 -34.7167 -34.7162 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1387 -5.1345 -4.1382 -4.1321 -2.5821 -2.5789 -2.3573 -2.3562 -0.3025 -0.3020 1.3921 1.4049 2.3031 2.3622 2.6888 2.7139 3.4929 3.5594 3.8036 3.9236 4.6019 4.6296 4.7595 4.8216 5.7293 5.7699 5.9664 6.0661 6.5588 6.5699 6.7309 6.8199 9.6405 9.6714 9.7532 9.7627 10.1281 10.1504 10.5583 10.6100 11.1042 11.1214 k = 0.1019 0.3851 0.5658 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7169 -34.7167 -34.7162 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.1185 -5.1139 -4.1506 -4.1440 -2.6000 -2.5968 -2.3674 -2.3662 -0.2715 -0.2713 1.3290 1.3409 2.2667 2.3249 2.6530 2.6764 3.5151 3.5845 3.8599 3.9850 4.6687 4.6964 4.8053 4.8756 5.7441 5.7858 5.9818 6.0948 6.5707 6.5826 6.7343 6.8286 9.6249 9.6545 9.7134 9.7247 10.1285 10.1499 10.5118 10.5649 11.0770 11.0973 k = 0.1111 0.3734 0.5807 ( 9202 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7168 -34.7167 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0966 -5.0915 -4.1650 -4.1578 -2.6169 -2.6139 -2.3784 -2.3772 -0.2384 -0.2384 1.2668 1.2779 2.2284 2.2850 2.6097 2.6312 3.5516 3.6238 3.9167 4.0457 4.7376 4.7625 4.8489 4.9256 5.7605 5.8025 5.9987 6.1249 6.5821 6.5938 6.7351 6.8336 9.6092 9.6340 9.6837 9.6943 10.1351 10.1555 10.4628 10.5156 11.0536 11.0766 k = 0.1204 0.3618 0.5956 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7168 -34.7167 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0729 -5.0674 -4.1814 -4.1736 -2.6325 -2.6296 -2.3905 -2.3891 -0.2037 -0.2033 1.2057 1.2158 2.1892 2.2436 2.5609 2.5805 3.5997 3.6749 3.9732 4.1049 4.8066 4.8218 4.8951 4.9724 5.7788 5.8199 6.0172 6.1556 6.5926 6.6029 6.7327 6.8347 9.5939 9.6128 9.6622 9.6715 10.1480 10.1676 10.4125 10.4639 11.0347 11.0596 k = 0.1296 0.3501 0.6105 ( 9212 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9954 -34.7168 -34.7167 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0475 -5.0417 -4.1999 -4.1917 -2.6464 -2.6437 -2.4034 -2.4021 -0.1670 -0.1663 1.1459 1.1550 2.1502 2.2020 2.5085 2.5266 3.6567 3.7354 4.0286 4.1618 4.8666 4.8727 4.9506 5.0182 5.7994 5.8380 6.0370 6.1865 6.6018 6.6089 6.7268 6.8314 9.5794 9.5948 9.6449 9.6562 10.1674 10.1865 10.3625 10.4111 11.0204 11.0463 k = 0.1389 0.3384 0.6254 ( 9212 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9955 -34.7168 -34.7167 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -5.0205 -5.0143 -4.2206 -4.2119 -2.6583 -2.6557 -2.4173 -2.4159 -0.1286 -0.1276 1.0872 1.0952 2.1124 2.1613 2.4542 2.4711 3.7204 3.8033 4.0826 4.2160 4.8972 4.9308 5.0135 5.0668 5.8228 5.8571 6.0581 6.2171 6.6089 6.6110 6.7179 6.8242 9.5654 9.5823 9.6297 9.6483 10.1924 10.2120 10.3147 10.3585 11.0102 11.0351 k = 0.1481 0.3268 0.6402 ( 9200 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9961 -34.9959 -34.9956 -34.9955 -34.7168 -34.7166 -34.7163 -34.7161 -34.6997 -34.6997 -34.6993 -34.6993 -4.9920 -4.9854 -4.2435 -4.2344 -2.6679 -2.6655 -2.4321 -2.4307 -0.0886 -0.0872 1.0296 1.0366 2.0766 2.1224 2.3993 2.4154 3.7885 3.8766 4.1350 4.2674 4.9192 4.9765 5.0763 5.1211 5.8499 5.8774 6.0802 6.2468 6.6078 6.6134 6.7067 6.8135 9.5519 9.5751 9.6162 9.6471 10.2171 10.2432 10.2756 10.3079 11.0025 11.0218 k = 0.1574 0.3151 0.6551 ( 9202 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9959 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6993 -4.9621 -4.9551 -4.2686 -4.2591 -2.6750 -2.6729 -2.4476 -2.4462 -0.0470 -0.0452 0.9731 0.9790 2.0434 2.0860 2.3449 2.3606 3.8593 3.9535 4.1856 4.3157 4.9358 5.0096 5.1342 5.1795 5.8816 5.8997 6.1031 6.2753 6.5980 6.6144 6.6946 6.8001 9.5392 9.5716 9.6051 9.6511 10.2067 10.2530 10.2801 10.2869 10.9915 10.9928 k = 0.1667 0.3035 0.6700 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.9307 -4.9234 -4.2957 -4.2860 -2.6796 -2.6777 -2.4638 -2.4624 -0.0040 -0.0018 0.9174 0.9222 2.0136 2.0529 2.2919 2.3075 3.9306 4.0323 4.2346 4.3610 4.9487 5.0332 5.1834 5.2370 5.9188 5.9251 6.1265 6.3022 6.5810 6.6114 6.6823 6.7849 9.5280 9.5687 9.5985 9.6579 10.1713 10.2098 10.3173 10.3263 10.9316 10.9562 k = 0.1759 0.2918 0.6849 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8982 -4.8905 -4.3249 -4.3149 -2.6816 -2.6798 -2.4806 -2.4792 0.0405 0.0429 0.8625 0.8662 1.9877 2.0236 2.2410 2.2568 4.0007 4.1114 4.2821 4.4030 4.9593 5.0506 5.2214 5.2882 5.9549 5.9621 6.1501 6.3275 6.5577 6.6042 6.6696 6.7687 9.5189 9.5636 9.5975 9.6649 10.1369 10.1689 10.3585 10.3691 10.8471 10.8823 k = 0.1852 0.2801 0.6998 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7164 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8644 -4.8564 -4.3558 -4.3457 -2.6811 -2.6794 -2.4978 -2.4964 0.0862 0.0889 0.8081 0.8108 1.9662 1.9985 2.1927 2.2091 4.0674 4.1891 4.3280 4.4415 4.9689 5.0644 5.2467 5.3289 5.9903 6.0111 6.1736 6.3510 6.5297 6.5930 6.6556 6.7516 9.5126 9.5573 9.6000 9.6695 10.1074 10.1337 10.3933 10.4059 10.7672 10.8057 k = 0.1944 0.2685 0.7147 ( 9216 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7166 -34.7165 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.8296 -4.8213 -4.3884 -4.3781 -2.6780 -2.6765 -2.5154 -2.5140 0.1330 0.1360 0.7543 0.7559 1.9494 1.9781 2.1475 2.1649 4.1286 4.2634 4.3724 4.4761 4.9788 5.0764 5.2587 5.3567 6.0316 6.0645 6.1969 6.3729 6.4990 6.5790 6.6393 6.7334 9.5094 9.5518 9.6025 9.6695 10.0845 10.1061 10.4076 10.4215 10.7165 10.7558 k = 0.2037 0.2568 0.7296 ( 9214 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7168 -34.7165 -34.7165 -34.7162 -34.6996 -34.6996 -34.6994 -34.6994 -4.7939 -4.7852 -4.4225 -4.4121 -2.6726 -2.6713 -2.5330 -2.5317 0.1810 0.1842 0.7008 0.7015 1.9375 1.9626 2.1058 2.1247 4.1825 4.3325 4.4144 4.5061 4.9905 5.0884 5.2580 5.3707 6.0782 6.1201 6.2198 6.3936 6.4672 6.5635 6.6201 6.7132 9.5098 9.5482 9.6030 9.6635 10.0695 10.0874 10.3885 10.3998 10.7130 10.7488 k = 0.2130 0.2452 0.7445 ( 9222 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9955 -34.7168 -34.7165 -34.7165 -34.7162 -34.6996 -34.6996 -34.6995 -34.6994 -4.7574 -4.7484 -4.4578 -4.4474 -2.6650 -2.6637 -2.5507 -2.5494 0.2300 0.2333 0.6474 0.6475 1.9307 1.9519 2.0680 2.0890 4.2275 4.3944 4.4529 4.5308 5.0056 5.1018 5.2460 5.3719 6.1282 6.1745 6.2422 6.4134 6.4353 6.5482 6.5979 6.6907 9.5140 9.5471 9.6006 9.6514 10.0632 10.0786 10.3421 10.3500 10.7473 10.7784 k = 0.2222 0.2335 0.7594 ( 9220 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6996 -34.6995 -34.6995 -34.6995 -4.7203 -4.7110 -4.4940 -4.4837 -2.6555 -2.6542 -2.5681 -2.5668 0.2798 0.2831 0.5937 0.5946 1.9291 1.9460 2.0346 2.0585 4.2629 4.4473 4.4857 4.5488 5.0251 5.1170 5.2250 5.3632 6.1788 6.2241 6.2638 6.4040 6.4326 6.5348 6.5737 6.6659 9.5222 9.5484 9.5954 9.6342 10.0664 10.0801 10.2853 10.2918 10.7985 10.8266 k = 0.2315 0.2218 0.7743 ( 9230 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9955 -34.7167 -34.7165 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6827 -4.6732 -4.5310 -4.5207 -2.6441 -2.6428 -2.5850 -2.5838 0.3303 0.3337 0.5405 0.5420 1.9324 1.9441 2.0061 2.0341 4.2883 4.4895 4.5109 4.5592 5.0491 5.1333 5.1977 5.3489 6.2269 6.2643 6.2836 6.3733 6.4508 6.5254 6.5499 6.6400 9.5342 9.5521 9.5882 9.6141 10.0795 10.0917 10.2290 10.2360 10.8529 10.8799 k = 0.2407 0.2102 0.7891 ( 9230 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9956 -34.7167 -34.7165 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6450 -4.6352 -4.5684 -4.5583 -2.6311 -2.6299 -2.6013 -2.6001 0.3812 0.3846 0.4881 0.4898 1.9397 1.9448 1.9835 2.0175 4.3035 4.5194 4.5266 4.5616 5.0751 5.1471 5.1690 5.3352 6.2697 6.2907 6.2991 6.3428 6.4645 6.5224 6.5309 6.6173 9.5491 9.5572 9.5805 9.5934 10.1027 10.1131 10.1784 10.1870 10.9005 10.9279 k = 0.2500 0.1985 0.8040 ( 9228 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9956 -34.7167 -34.7165 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6116 -4.6017 -4.6017 -4.5917 -2.6169 -2.6166 -2.6166 -2.6145 0.4234 0.4286 0.4454 0.4454 1.9455 1.9455 1.9726 2.0115 4.3086 4.5319 4.5319 4.5599 5.0903 5.1528 5.1528 5.3294 6.2999 6.2999 6.3045 6.3178 6.4695 6.5233 6.5233 6.6071 9.5606 9.5606 9.5763 9.5799 10.1339 10.1379 10.1379 10.1530 10.9246 10.9545 k = 0.2500 0.1985 0.8040 ( 9228 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9956 -34.7167 -34.7165 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6116 -4.6017 -4.6017 -4.5917 -2.6169 -2.6166 -2.6166 -2.6145 0.4234 0.4286 0.4454 0.4454 1.9455 1.9455 1.9726 2.0115 4.3086 4.5319 4.5319 4.5599 5.0903 5.1528 5.1528 5.3294 6.2999 6.2999 6.3045 6.3178 6.4695 6.5233 6.5233 6.6071 9.5606 9.5606 9.5763 9.5799 10.1339 10.1379 10.1379 10.1530 10.9246 10.9545 k = 0.2625 0.2084 0.7914 ( 9225 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9955 -34.7167 -34.7165 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6290 -4.6195 -4.5840 -4.5743 -2.6254 -2.6243 -2.6075 -2.6062 0.3995 0.4035 0.4662 0.4688 1.9451 1.9507 1.9792 2.0163 4.3025 4.5203 4.5216 4.5562 5.0844 5.1551 5.1629 5.3332 6.2770 6.2977 6.3119 6.3270 6.4704 6.5232 6.5309 6.6140 9.5557 9.5558 9.5752 9.5838 10.1151 10.1278 10.1612 10.1739 10.9097 10.9358 k = 0.2750 0.2184 0.7787 ( 9217 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6485 -4.6396 -4.5643 -4.5550 -2.6334 -2.6323 -2.5979 -2.5966 0.3653 0.3698 0.4932 0.4967 1.9513 1.9628 1.9949 2.0295 4.2842 4.4837 4.4960 4.5486 5.0666 5.1519 5.1942 5.3460 6.2488 6.2859 6.3210 6.3377 6.4714 6.5373 6.5393 6.6333 9.5448 9.5483 9.5705 9.5880 10.1015 10.1185 10.1931 10.2080 10.8766 10.8998 k = 0.2875 0.2283 0.7660 ( 9211 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6662 -4.6578 -4.5467 -4.5378 -2.6407 -2.6397 -2.5882 -2.5870 0.3302 0.3353 0.5184 0.5224 1.9656 1.9823 2.0171 2.0496 4.2534 4.4284 4.4635 4.5334 5.0456 5.1402 5.2314 5.3663 6.2212 6.2707 6.3290 6.3460 6.4742 6.5447 6.5672 6.6614 9.5324 9.5395 9.5622 9.5889 10.0949 10.1155 10.2296 10.2467 10.8333 10.8521 k = 0.3000 0.2382 0.7533 ( 9209 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6820 -4.6741 -4.5314 -4.5228 -2.6472 -2.6462 -2.5788 -2.5775 0.2960 0.3017 0.5414 0.5455 1.9875 2.0086 2.0450 2.0757 4.2108 4.3630 4.4262 4.5080 5.0261 5.1218 5.2651 5.3885 6.1953 6.2537 6.3367 6.3521 6.4801 6.5542 6.6032 6.6958 9.5196 9.5299 9.5514 9.5862 10.0949 10.1189 10.2685 10.2872 10.7883 10.8042 k = 0.3125 0.2482 0.7407 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6957 -4.6884 -4.5185 -4.5103 -2.6529 -2.6521 -2.5701 -2.5688 0.2644 0.2706 0.5618 0.5660 2.0160 2.0409 2.0781 2.1070 4.1583 4.2915 4.3853 4.4720 5.0101 5.0995 5.2909 5.4076 6.1718 6.2359 6.3441 6.3565 6.4887 6.5656 6.6458 6.7351 9.5071 9.5196 9.5391 9.5801 10.1009 10.1281 10.3083 10.3276 10.7465 10.7601 k = 0.3250 0.2581 0.7280 ( 9199 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6995 -34.6994 -4.7073 -4.7005 -4.5080 -4.5003 -2.6577 -2.6570 -2.5624 -2.5611 0.2367 0.2433 0.5797 0.5837 2.0500 2.0783 2.1160 2.1430 4.0985 4.2166 4.3412 4.4265 4.9979 5.0753 5.3069 5.4202 6.1508 6.2179 6.3511 6.3595 6.4992 6.5780 6.6936 6.7781 9.4954 9.5082 9.5268 9.5709 10.1124 10.1425 10.3479 10.3666 10.7101 10.7217 k = 0.3375 0.2680 0.7153 ( 9191 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6994 -34.6994 -4.7169 -4.7106 -4.5000 -4.4928 -2.6617 -2.6611 -2.5562 -2.5548 0.2141 0.2211 0.5949 0.5988 2.0883 2.1197 2.1581 2.1831 4.0339 4.1401 4.2937 4.3730 4.9889 5.0507 5.3127 5.4249 6.1323 6.2001 6.3573 6.3614 6.5107 6.5906 6.7454 6.8234 9.4848 9.4950 9.5161 9.5589 10.1287 10.1615 10.3865 10.4035 10.6805 10.6902 k = 0.3500 0.2779 0.7026 ( 9188 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6994 -34.6994 -4.7242 -4.7185 -4.4946 -4.4879 -2.6648 -2.6644 -2.5517 -2.5502 0.1977 0.2049 0.6077 0.6111 2.1300 2.1641 2.2037 2.2266 3.9668 4.0637 4.2432 4.3136 4.9821 5.0263 5.3088 5.4212 6.1161 6.1829 6.3620 6.3623 6.5228 6.6029 6.7989 6.8692 9.4757 9.4803 9.5077 9.5449 10.1490 10.1841 10.4236 10.4378 10.6583 10.6662 k = 0.3625 0.2879 0.6900 ( 9191 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6994 -34.6994 -4.7294 -4.7242 -4.4918 -4.4856 -2.6670 -2.6667 -2.5492 -2.5476 0.1882 0.1957 0.6180 0.6209 2.1740 2.2104 2.2520 2.2726 3.8994 3.9886 4.1902 4.2502 4.9765 5.0022 5.2962 5.4093 6.1023 6.1667 6.3622 6.3646 6.5353 6.6147 6.8517 6.9132 9.4654 9.4684 9.5014 9.5299 10.1728 10.2099 10.4585 10.4688 10.6441 10.6501 k = 0.3750 0.2978 0.6773 ( 9193 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6995 -34.6994 -4.7324 -4.7277 -4.4916 -4.4859 -2.6681 -2.6680 -2.5488 -2.5472 0.1863 0.1940 0.6259 0.6283 2.2194 2.2575 2.3020 2.3201 3.8333 3.9161 4.1357 4.1847 4.9714 4.9786 5.2760 5.3898 6.0906 6.1518 6.3606 6.3647 6.5482 6.6261 6.9011 6.9530 9.4521 9.4628 9.4971 9.5152 10.1995 10.2381 10.4906 10.4962 10.6375 10.6416 k = 0.3875 0.3077 0.6646 ( 9197 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9959 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6995 -34.6994 -4.7331 -4.7290 -4.4941 -4.4889 -2.6683 -2.6683 -2.5506 -2.5489 0.1924 0.2002 0.6316 0.6333 2.2651 2.3045 2.3526 2.3681 3.7704 3.8477 4.0805 4.1185 4.9556 4.9661 5.2492 5.3636 6.0813 6.1387 6.3571 6.3617 6.5620 6.6373 6.9442 6.9861 9.4419 9.4592 9.4946 9.5027 10.2288 10.2685 10.5190 10.5196 10.6380 10.6403 k = 0.4000 0.3176 0.6519 ( 9200 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9959 -34.9956 -34.9956 -34.7167 -34.7166 -34.7164 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.7316 -4.7281 -4.4993 -4.4946 -2.6677 -2.6675 -2.5545 -2.5527 0.2067 0.2145 0.6351 0.6361 2.3103 2.3501 2.4024 2.4150 3.7126 3.7847 4.0258 4.0529 4.9332 4.9605 5.2166 5.3314 6.0744 6.1277 6.3513 6.3551 6.5771 6.6489 6.9785 7.0103 9.4360 9.4575 9.4938 9.4939 10.2605 10.3010 10.5394 10.5431 10.6444 10.6452 k = 0.4125 0.3276 0.6393 ( 9200 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9959 -34.9956 -34.9956 -34.7167 -34.7166 -34.7164 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.7279 -4.7249 -4.5072 -4.5030 -2.6661 -2.6657 -2.5604 -2.5586 0.2291 0.2369 0.6364 0.6367 2.3539 2.3934 2.4496 2.4592 3.6616 3.7290 3.9725 3.9891 4.9116 4.9544 5.1792 5.2938 6.0698 6.1189 6.3427 6.3447 6.5938 6.6614 7.0022 7.0237 9.4355 9.4574 9.4902 9.4946 10.2945 10.3356 10.5564 10.5630 10.6551 10.6552 k = 0.4250 0.3375 0.6266 ( 9205 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7166 -34.7164 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.7219 -4.7194 -4.5178 -4.5141 -2.6634 -2.6629 -2.5679 -2.5661 0.2595 0.2672 0.6352 0.6356 2.3950 2.4333 2.4925 2.4988 3.6197 3.6825 3.9217 3.9280 4.8911 4.9479 5.1377 5.2516 6.0676 6.1124 6.3304 6.3308 6.6124 6.6753 7.0135 7.0253 9.4407 9.4588 9.4924 9.4970 10.3309 10.3726 10.5718 10.5795 10.6681 10.6682 k = 0.4375 0.3474 0.6139 ( 9207 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7166 -34.7164 -34.7163 -34.6996 -34.6995 -34.6995 -34.6995 -4.7136 -4.7117 -4.5311 -4.5280 -2.6598 -2.6591 -2.5768 -2.5749 0.2976 0.3050 0.6316 0.6327 2.4329 2.4690 2.5289 2.5317 3.5889 3.6470 3.8706 3.8740 4.8722 4.9411 5.0929 5.2055 6.0676 6.1078 6.3127 6.3157 6.6329 6.6907 7.0120 7.0146 9.4508 9.4617 9.5000 9.5010 10.3696 10.4118 10.5867 10.5934 10.6799 10.6827 k = 0.4500 0.3573 0.6012 ( 9209 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7166 -34.7164 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.7031 -4.7016 -4.5471 -4.5445 -2.6551 -2.6542 -2.5866 -2.5847 0.3427 0.3497 0.6260 0.6277 2.4667 2.4996 2.5561 2.5570 3.5709 3.6243 3.8175 3.8300 4.8552 4.9338 5.0459 5.1561 6.0695 6.1047 6.2922 6.2977 6.6553 6.7078 6.9919 6.9976 9.4640 9.4659 9.5065 9.5115 10.4106 10.4531 10.6022 10.6054 10.6836 10.6960 k = 0.4625 0.3673 0.5886 ( 9207 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6902 -4.6893 -4.5658 -4.5637 -2.6494 -2.6484 -2.5969 -2.5951 0.3942 0.4007 0.6182 0.6205 2.4960 2.5246 2.5709 2.5752 3.5669 3.6155 3.7697 3.7903 4.8407 4.9247 4.9992 5.1041 6.0725 6.1019 6.2705 6.2775 6.6790 6.7257 6.9588 6.9715 9.4713 9.4777 9.5134 9.5244 10.4531 10.4955 10.6153 10.6188 10.6681 10.7055 k = 0.4750 0.3772 0.5759 ( 9201 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6751 -4.6748 -4.5871 -4.5855 -2.6428 -2.6416 -2.6072 -2.6054 0.4514 0.4571 0.6083 0.6111 2.5202 2.5433 2.5762 2.5833 3.5766 3.6196 3.7285 3.7551 4.8292 4.9061 4.9610 5.0501 6.0754 6.0974 6.2497 6.2565 6.7030 6.7424 6.9185 6.9359 9.4775 9.4887 9.5209 9.5350 10.4963 10.5368 10.6214 10.6307 10.6479 10.7070 k = 0.4875 0.3871 0.5632 ( 9197 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6581 -4.6580 -4.6107 -4.6096 -2.6352 -2.6338 -2.6171 -2.6154 0.5129 0.5176 0.5965 0.5997 2.5388 2.5536 2.5754 2.5824 3.5978 3.6297 3.7001 3.7252 4.8207 4.8665 4.9440 4.9948 6.0760 6.0882 6.2327 6.2371 6.7244 6.7510 6.8796 6.8954 9.4839 9.4938 9.5278 9.5392 10.5382 10.5701 10.6151 10.6210 10.6633 10.7027 k = 0.5000 0.3970 0.5505 ( 9198 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6437 -4.6437 -4.6316 -4.6316 -2.6276 -2.6276 -2.6237 -2.6237 0.5707 0.5707 0.5933 0.5933 2.5493 2.5493 2.5771 2.5771 3.6235 3.6235 3.7048 3.7048 4.8147 4.8147 4.9397 4.9397 6.0716 6.0716 6.2220 6.2220 6.7344 6.7344 6.8610 6.8610 9.4895 9.4895 9.5335 9.5335 10.5750 10.5750 10.6185 10.6185 10.6876 10.6876 k = 0.5000 0.3970 0.5505 ( 9198 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6437 -4.6437 -4.6316 -4.6316 -2.6276 -2.6276 -2.6237 -2.6237 0.5707 0.5707 0.5933 0.5933 2.5493 2.5493 2.5771 2.5771 3.6235 3.6235 3.7048 3.7048 4.8147 4.8147 4.9397 4.9397 6.0716 6.0716 6.2220 6.2220 6.7344 6.7344 6.8610 6.8610 9.4895 9.4895 9.5335 9.5335 10.5750 10.5750 10.6185 10.6185 10.6876 10.6876 k = 0.5000 0.3970 0.5294 ( 9206 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6499 -4.6499 -4.6381 -4.6381 -2.6266 -2.6266 -2.6226 -2.6226 0.6114 0.6114 0.6365 0.6365 2.5424 2.5424 2.5785 2.5785 3.6267 3.6267 3.7162 3.7162 4.7674 4.7674 4.8950 4.8950 6.0473 6.0473 6.2054 6.2054 6.7039 6.7039 6.8377 6.8377 9.4778 9.4778 9.5220 9.5220 10.5966 10.5966 10.6259 10.6259 10.6847 10.6847 k = 0.5000 0.3970 0.5082 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6566 -4.6566 -4.6452 -4.6452 -2.6241 -2.6241 -2.6200 -2.6200 0.6502 0.6502 0.6781 0.6781 2.5361 2.5361 2.5825 2.5825 3.6299 3.6299 3.7279 3.7279 4.7252 4.7252 4.8539 4.8539 6.0221 6.0221 6.1875 6.1875 6.6730 6.6730 6.8131 6.8131 9.4527 9.4527 9.4970 9.4970 10.6177 10.6177 10.6305 10.6305 10.6710 10.6710 k = 0.5000 0.3970 0.4870 ( 9210 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6638 -4.6638 -4.6528 -4.6528 -2.6199 -2.6199 -2.6157 -2.6157 0.6860 0.6860 0.7168 0.7168 2.5314 2.5314 2.5895 2.5895 3.6332 3.6332 3.7398 3.7398 4.6888 4.6888 4.8169 4.8169 5.9960 5.9960 6.1682 6.1682 6.6424 6.6424 6.7881 6.7881 9.4150 9.4150 9.4590 9.4590 10.5955 10.5955 10.6221 10.6221 10.6767 10.6767 k = 0.5000 0.3970 0.4658 ( 9214 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6715 -4.6715 -4.6609 -4.6609 -2.6140 -2.6140 -2.6098 -2.6098 0.7178 0.7178 0.7517 0.7517 2.5293 2.5293 2.5999 2.5999 3.6366 3.6366 3.7519 3.7519 4.6586 4.6586 4.7844 4.7844 5.9691 5.9691 6.1475 6.1475 6.6130 6.6130 6.7631 6.7631 9.3663 9.3663 9.4097 9.4097 10.5349 10.5349 10.5710 10.5710 10.7143 10.7143 k = 0.5000 0.3970 0.4447 ( 9222 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.6797 -4.6797 -4.6695 -4.6695 -2.6062 -2.6062 -2.6021 -2.6021 0.7445 0.7445 0.7814 0.7814 2.5309 2.5309 2.6147 2.6147 3.6402 3.6402 3.7639 3.7639 4.6347 4.6347 4.7565 4.7565 5.9412 5.9412 6.1250 6.1250 6.5854 6.5854 6.7389 6.7389 9.3092 9.3092 9.3513 9.3513 10.4539 10.4539 10.4963 10.4963 10.7572 10.7572 k = 0.5000 0.3970 0.4235 ( 9224 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.6882 -4.6882 -4.6785 -4.6785 -2.5967 -2.5967 -2.5926 -2.5926 0.7653 0.7653 0.8051 0.8051 2.5369 2.5369 2.6342 2.6342 3.6439 3.6439 3.7759 3.7759 4.6172 4.6172 4.7333 4.7333 5.9125 5.9125 6.1004 6.1004 6.5604 6.5604 6.7158 6.7158 9.2457 9.2457 9.2864 9.2864 10.3605 10.3605 10.4068 10.4068 10.7988 10.7988 k = 0.5000 0.3970 0.4023 ( 9224 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.6971 -4.6971 -4.6878 -4.6878 -2.5854 -2.5854 -2.5813 -2.5813 0.7797 0.7797 0.8220 0.8220 2.5484 2.5484 2.6592 2.6592 3.6479 3.6479 3.7878 3.7878 4.6061 4.6061 4.7146 4.7146 5.8828 5.8828 6.0736 6.0736 6.5385 6.5385 6.6943 6.6943 9.1782 9.1782 9.2169 9.2169 10.2595 10.2595 10.3081 10.3081 10.8367 10.8367 k = 0.5000 0.3970 0.3811 ( 9224 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7062 -4.7062 -4.6974 -4.6974 -2.5723 -2.5723 -2.5684 -2.5684 0.7871 0.7871 0.8314 0.8314 2.5658 2.5658 2.6898 2.6898 3.6522 3.6522 3.7996 3.7996 4.6012 4.6012 4.7004 4.7004 5.8522 5.8522 6.0442 6.0442 6.5204 6.5204 6.6749 6.6749 9.1083 9.1083 9.1449 9.1449 10.1543 10.1543 10.2040 10.2040 10.8693 10.8693 k = 0.5000 0.3970 0.3600 ( 9226 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7155 -4.7155 -4.7072 -4.7072 -2.5576 -2.5576 -2.5538 -2.5538 0.7876 0.7876 0.8331 0.8331 2.5895 2.5895 2.7261 2.7261 3.6568 3.6568 3.8111 3.8111 4.6020 4.6020 4.6904 4.6904 5.8204 5.8204 6.0121 6.0121 6.5063 6.5063 6.6579 6.6579 9.0377 9.0377 9.0719 9.0719 10.0474 10.0474 10.0973 10.0973 10.8955 10.8955 k = 0.5000 0.3970 0.3388 ( 9222 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7249 -4.7249 -4.7171 -4.7171 -2.5415 -2.5415 -2.5378 -2.5378 0.7814 0.7814 0.8274 0.8274 2.6193 2.6193 2.7678 2.7678 3.6616 3.6616 3.8224 3.8224 4.6083 4.6083 4.6845 4.6845 5.7874 5.7874 5.9775 5.9775 6.4962 6.4962 6.6435 6.6435 8.9677 8.9677 8.9994 8.9994 9.9403 9.9403 9.9898 9.9898 10.9144 10.9144 k = 0.5000 0.3970 0.3176 ( 9230 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7343 -4.7343 -4.7269 -4.7269 -2.5240 -2.5240 -2.5205 -2.5205 0.7690 0.7690 0.8148 0.8148 2.6550 2.6550 2.8144 2.8144 3.6668 3.6668 3.8335 3.8335 4.6196 4.6196 4.6826 4.6826 5.7531 5.7531 5.9403 5.9403 6.4902 6.4902 6.6317 6.6317 8.8994 8.8994 8.9287 8.9287 9.8343 9.8343 9.8828 9.8828 10.9255 10.9255 k = 0.5000 0.3970 0.2964 ( 9222 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7436 -4.7436 -4.7367 -4.7367 -2.5055 -2.5055 -2.5022 -2.5022 0.7512 0.7512 0.7959 0.7959 2.6959 2.6959 2.8651 2.8651 3.6723 3.6723 3.8441 3.8441 4.6353 4.6353 4.6848 4.6848 5.7175 5.7175 5.9007 5.9007 6.4880 6.4880 6.6227 6.6227 8.8339 8.8339 8.8607 8.8607 9.7303 9.7303 9.7772 9.7772 10.9291 10.9291 k = 0.5000 0.3970 0.2753 ( 9224 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7527 -4.7527 -4.7463 -4.7463 -2.4861 -2.4861 -2.4829 -2.4829 0.7288 0.7288 0.7718 0.7718 2.7412 2.7412 2.9189 2.9189 3.6782 3.6782 3.8541 3.8541 4.6543 4.6543 4.6914 4.6914 5.6803 5.6803 5.8591 5.8591 6.4893 6.4893 6.6164 6.6164 8.7720 8.7720 8.7965 8.7965 9.6287 9.6287 9.6739 9.6739 10.9254 10.9254 k = 0.5000 0.3970 0.2541 ( 9220 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7166 -34.7166 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7615 -4.7615 -4.7556 -4.7556 -2.4661 -2.4661 -2.4632 -2.4632 0.7028 0.7028 0.7436 0.7436 2.7898 2.7898 2.9746 2.9746 3.6845 3.6845 3.8636 3.8636 4.6746 4.6746 4.7041 4.7041 5.6415 5.6415 5.8158 5.8158 6.4936 6.4936 6.6126 6.6126 8.7145 8.7145 8.7370 8.7370 9.5303 9.5303 9.5732 9.5732 10.9148 10.9148 k = 0.5000 0.3970 0.2329 ( 9218 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7699 -4.7699 -4.7645 -4.7645 -2.4459 -2.4459 -2.4431 -2.4431 0.6743 0.6743 0.7124 0.7124 2.8407 2.8407 3.0308 3.0308 3.6913 3.6913 3.8722 3.8722 4.6935 4.6935 4.7252 4.7252 5.6011 5.6011 5.7708 5.7708 6.5006 6.5006 6.6111 6.6111 8.6622 8.6622 8.6830 8.6830 9.4352 9.4352 9.4758 9.4758 10.8971 10.8971 k = 0.5000 0.3970 0.2117 ( 9216 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7779 -4.7779 -4.7730 -4.7730 -2.4257 -2.4257 -2.4231 -2.4231 0.6443 0.6443 0.6795 0.6795 2.8929 2.8929 3.0860 3.0860 3.6989 3.6989 3.8798 3.8798 4.7113 4.7113 4.7540 4.7540 5.5589 5.5589 5.7247 5.7247 6.5096 6.5096 6.6114 6.6114 8.6157 8.6157 8.6352 8.6352 9.3439 9.3439 9.3819 9.3819 10.8721 10.8721 k = 0.5000 0.3970 0.1906 ( 9212 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7854 -4.7854 -4.7810 -4.7810 -2.4059 -2.4059 -2.4035 -2.4035 0.6138 0.6138 0.6458 0.6458 2.9453 2.9453 3.1387 3.1387 3.7075 3.7075 3.8861 3.8861 4.7304 4.7304 4.7879 4.7879 5.5150 5.5150 5.6774 5.6774 6.5202 6.5202 6.6131 6.6131 8.5757 8.5757 8.5942 8.5942 9.2567 9.2567 9.2920 9.2920 10.8393 10.8393 k = 0.5000 0.3970 0.1694 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7923 -4.7923 -4.7884 -4.7884 -2.3868 -2.3868 -2.3847 -2.3847 0.5839 0.5839 0.6125 0.6125 2.9971 2.9971 3.1872 3.1872 3.7175 3.7175 3.8910 3.8910 4.7519 4.7519 4.8254 4.8254 5.4695 5.4695 5.6294 5.6294 6.5319 6.5319 6.6159 6.6159 8.5426 8.5426 8.5604 8.5604 9.1739 9.1739 9.2063 9.2063 10.7985 10.7985 k = 0.5000 0.3970 0.1482 ( 9192 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.7984 -4.7984 -4.7950 -4.7950 -2.3688 -2.3688 -2.3669 -2.3669 0.5553 0.5553 0.5805 0.5805 3.0474 3.0474 3.2299 3.2299 3.7292 3.7292 3.8942 3.8942 4.7764 4.7764 4.8655 4.8655 5.4226 5.4226 5.5807 5.5807 6.5443 6.5443 6.6190 6.6190 8.5170 8.5170 8.5341 8.5341 9.0959 9.0959 9.1254 9.1254 10.7510 10.7510 k = 0.5000 0.3970 0.1270 ( 9192 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8039 -4.8039 -4.8010 -4.8010 -2.3522 -2.3522 -2.3506 -2.3506 0.5290 0.5290 0.5506 0.5506 3.0953 3.0953 3.2653 3.2653 3.7430 3.7430 3.8953 3.8953 4.8042 4.8042 4.9075 4.9075 5.3747 5.3747 5.5315 5.5315 6.5569 6.5569 6.6221 6.6221 8.4988 8.4988 8.5154 8.5154 9.0232 9.0232 9.0498 9.0498 10.6996 10.6996 k = 0.5000 0.3970 0.1059 ( 9202 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8086 -4.8086 -4.8062 -4.8062 -2.3375 -2.3375 -2.3361 -2.3361 0.5057 0.5057 0.5237 0.5237 3.1402 3.1402 3.2924 3.2924 3.7589 3.7589 3.8943 3.8943 4.8354 4.8354 4.9507 4.9507 5.3266 5.3266 5.4819 5.4819 6.5693 6.5693 6.6246 6.6246 8.4882 8.4882 8.5040 8.5040 8.9566 8.9566 8.9801 8.9801 10.6481 10.6481 k = 0.5000 0.3970 0.0847 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7164 -34.7164 -34.6995 -34.6995 -34.6995 -34.6995 -4.8124 -4.8124 -4.8105 -4.8105 -2.3249 -2.3249 -2.3238 -2.3238 0.4860 0.4860 0.5004 0.5004 3.1814 3.1814 3.3106 3.3106 3.7766 3.7766 3.8907 3.8907 4.8698 4.8698 4.9935 4.9935 5.2798 5.2798 5.4321 5.4321 6.5811 6.5811 6.6261 6.6261 8.4845 8.4845 8.4991 8.4991 8.8971 8.8971 8.9174 8.9174 10.6009 10.6009 k = 0.5000 0.3970 0.0635 ( 9212 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7165 -34.6995 -34.6995 -34.6995 -34.6995 -4.8154 -4.8154 -4.8140 -4.8140 -2.3148 -2.3148 -2.3140 -2.3140 0.4705 0.4705 0.4813 0.4813 3.2184 3.2184 3.3198 3.3198 3.7954 3.7954 3.8844 3.8844 4.9073 4.9073 5.0328 5.0328 5.2375 5.2375 5.3824 5.3824 6.5920 6.5920 6.6263 6.6263 8.4868 8.4868 8.4995 8.4995 8.8464 8.8464 8.8631 8.8631 10.5612 10.5612 k = 0.5000 0.3970 0.0423 ( 9208 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7165 -34.6995 -34.6995 -34.6995 -34.6995 -4.8175 -4.8175 -4.8165 -4.8165 -2.3073 -2.3073 -2.3068 -2.3068 0.4596 0.4596 0.4668 0.4668 3.2507 3.2507 3.3204 3.3204 3.8143 3.8143 3.8754 3.8754 4.9471 4.9471 5.0593 5.0593 5.2093 5.2093 5.3334 5.3334 6.6017 6.6017 6.6248 6.6248 8.4930 8.4930 8.5028 8.5028 8.8071 8.8071 8.8193 8.8193 10.5316 10.5316 k = 0.5000 0.3970 0.0212 ( 9208 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9958 -34.9958 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7165 -34.6995 -34.6995 -34.6995 -34.6995 -4.8187 -4.8187 -4.8182 -4.8182 -2.3027 -2.3027 -2.3024 -2.3024 0.4536 0.4536 0.4572 0.4572 3.2776 3.2776 3.3131 3.3131 3.8326 3.8326 3.8636 3.8636 4.9880 4.9880 5.0565 5.0565 5.2119 5.2119 5.2860 5.2860 6.6100 6.6100 6.6216 6.6216 8.5004 8.5004 8.5059 8.5059 8.7826 8.7826 8.7892 8.7892 10.5137 10.5137 k = 0.5000 0.3970-0.0000 ( 9196 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9957 -34.9957 -34.9957 -34.9957 -34.7165 -34.7165 -34.7165 -34.7165 -34.6995 -34.6995 -34.6995 -34.6995 -4.8189 -4.8189 -4.8189 -4.8189 -2.3011 -2.3011 -2.3011 -2.3011 0.4528 0.4528 0.4528 0.4528 3.2986 3.2986 3.2986 3.2986 3.8492 3.8492 3.8492 3.8492 5.0271 5.0271 5.0271 5.0271 5.2430 5.2430 5.2430 5.2430 6.6167 6.6167 6.6167 6.6167 8.5054 8.5054 8.5054 8.5054 8.7763 8.7763 8.7763 8.7763 10.5082 10.5082 k = 0.0000 0.0000 0.8040 ( 9184 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6109 -4.6109 -4.5968 -4.5968 -2.5981 -2.5981 -2.5968 -2.5968 0.2442 0.2442 0.2545 0.2545 2.5726 2.5726 2.6182 2.6182 3.5986 3.5986 3.6275 3.6275 5.3581 5.3581 5.3759 5.3759 6.2461 6.2461 6.3118 6.3118 6.9135 6.9135 6.9449 6.9449 9.3328 9.3328 9.3371 9.3371 10.2416 10.2416 10.2868 10.2868 10.5524 10.5524 k = 0.0156 0.0124 0.8040 ( 9166 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6112 -4.6105 -4.5972 -4.5965 -2.5983 -2.5983 -2.5971 -2.5969 0.2453 0.2461 0.2550 0.2570 2.5568 2.5720 2.6082 2.6091 3.6090 3.6104 3.6259 3.6481 5.3556 5.3588 5.3708 5.3798 6.2454 6.2468 6.3097 6.3140 6.9071 6.9130 6.9346 6.9482 9.3344 9.3350 9.3368 9.3408 10.2424 10.2433 10.2875 10.2886 10.5505 10.5556 k = 0.0312 0.0248 0.8040 ( 9168 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7166 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6115 -4.6101 -4.5975 -4.5961 -2.5988 -2.5988 -2.5977 -2.5974 0.2496 0.2512 0.2585 0.2625 2.5262 2.5552 2.5804 2.5821 3.6403 3.6430 3.6431 3.6858 5.3512 5.3576 5.3643 5.3824 6.2445 6.2475 6.3077 6.3161 6.8939 6.9057 6.9174 6.9444 9.3397 9.3400 9.3409 9.3480 10.2457 10.2472 10.2904 10.2926 10.5500 10.5603 k = 0.0469 0.0372 0.8040 ( 9186 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6117 -4.6097 -4.5978 -4.5957 -2.5997 -2.5997 -2.5987 -2.5981 0.2568 0.2592 0.2649 0.2708 2.4840 2.5242 2.5382 2.5409 3.6765 3.6891 3.6932 3.7379 5.3447 5.3545 5.3564 5.3838 6.2436 6.2482 6.3057 6.3183 6.8744 6.8919 6.8938 6.9338 9.3466 9.3488 9.3504 9.3583 10.2511 10.2523 10.2947 10.2978 10.5517 10.5669 k = 0.0625 0.0496 0.8040 ( 9174 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9956 -34.7167 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6118 -4.6091 -4.5980 -4.5952 -2.6009 -2.6009 -2.5999 -2.5992 0.2669 0.2700 0.2740 0.2819 2.4334 2.4824 2.4857 2.4896 3.7231 3.7510 3.7566 3.8009 5.3361 5.3469 5.3494 5.3841 6.2428 6.2491 6.3040 6.3204 6.8490 6.8644 6.8722 6.9169 9.3565 9.3613 9.3631 9.3716 10.2575 10.2577 10.2986 10.3028 10.5566 10.5763 k = 0.0781 0.0620 0.8040 ( 9170 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9959 -34.9956 -34.9955 -34.7167 -34.7166 -34.7163 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6119 -4.6086 -4.5983 -4.5948 -2.6023 -2.6023 -2.6015 -2.6006 0.2794 0.2834 0.2854 0.2953 2.3775 2.4268 2.4319 2.4330 3.7793 3.8224 3.8295 3.8719 5.3251 5.3357 5.3421 5.3831 6.2420 6.2503 6.3025 6.3227 6.8184 6.8302 6.8473 6.8945 9.3694 9.3769 9.3787 9.3875 10.2611 10.2639 10.3002 10.3057 10.5664 10.5898 k = 0.0938 0.0744 0.8040 ( 9174 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9956 -34.9955 -34.7167 -34.7166 -34.7164 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6119 -4.6079 -4.5985 -4.5944 -2.6039 -2.6039 -2.6032 -2.6021 0.2941 0.2990 0.2990 0.3108 2.3190 2.3646 2.3710 2.3793 3.8417 3.9000 3.9088 3.9481 5.3115 5.3226 5.3325 5.3809 6.2415 6.2520 6.3014 6.3250 6.7837 6.7920 6.8181 6.8673 9.3849 9.3953 9.3968 9.4057 10.2613 10.2680 10.2974 10.3046 10.5825 10.6005 k = 0.1094 0.0869 0.8040 ( 9182 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9959 -34.9958 -34.9956 -34.9955 -34.7167 -34.7166 -34.7164 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6119 -4.6073 -4.5987 -4.5939 -2.6057 -2.6057 -2.6050 -2.6038 0.3105 0.3141 0.3164 0.3280 2.2599 2.3015 2.3093 2.3237 3.9075 3.9812 3.9918 4.0274 5.2952 5.3075 5.3205 5.3775 6.2415 6.2542 6.3009 6.3273 6.7458 6.7511 6.7855 6.8364 9.4029 9.4158 9.4169 9.4258 10.2569 10.2681 10.2889 10.2982 10.6061 10.6137 k = 0.1250 0.0993 0.8040 ( 9180 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6119 -4.6067 -4.5990 -4.5935 -2.6075 -2.6075 -2.6069 -2.6055 0.3281 0.3304 0.3350 0.3462 2.2021 2.2396 2.2489 2.2685 3.9743 4.0639 4.0767 4.1077 5.2759 5.2902 5.3058 5.3729 6.2420 6.2572 6.3010 6.3297 6.7058 6.7087 6.7508 6.8029 9.4227 9.4381 9.4384 9.4473 10.2473 10.2630 10.2748 10.2861 10.6336 10.6372 k = 0.1406 0.1117 0.8040 ( 9184 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6119 -4.6060 -4.5992 -4.5931 -2.6094 -2.6093 -2.6088 -2.6073 0.3462 0.3473 0.3543 0.3648 2.1472 2.1803 2.1914 2.2155 4.0399 4.1463 4.1614 4.1874 5.2535 5.2708 5.2884 5.3672 6.2435 6.2612 6.3018 6.3320 6.6650 6.6665 6.7149 6.7682 9.4439 9.4607 9.4615 9.4698 10.2327 10.2524 10.2558 10.2688 10.6608 10.6750 k = 0.1562 0.1241 0.8040 ( 9198 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6118 -4.6053 -4.5995 -4.5928 -2.6111 -2.6111 -2.6106 -2.6090 0.3640 0.3643 0.3736 0.3832 2.0965 2.1252 2.1382 2.1662 4.1023 4.2265 4.2444 4.2645 5.2282 5.2496 5.2684 5.3607 6.2463 6.2663 6.3034 6.3340 6.6244 6.6258 6.6791 6.7335 9.4658 9.4832 9.4852 9.4924 10.2146 10.2335 10.2370 10.2477 10.6948 10.7184 k = 0.1719 0.1365 0.8040 ( 9204 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7164 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6118 -4.6047 -4.5998 -4.5925 -2.6128 -2.6127 -2.6123 -2.6105 0.3800 0.3815 0.3920 0.4006 2.0513 2.0756 2.0906 2.1218 4.1596 4.3027 4.3237 4.3370 5.2003 5.2270 5.2461 5.3536 6.2505 6.2726 6.3058 6.3350 6.5854 6.5888 6.6444 6.7002 9.4878 9.5048 9.5083 9.5146 10.1946 10.2097 10.2187 10.2243 10.7346 10.7660 k = 0.1875 0.1489 0.8040 ( 9214 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7166 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6117 -4.6040 -4.6001 -4.5922 -2.6142 -2.6140 -2.6137 -2.6119 0.3944 0.3971 0.4089 0.4162 2.0129 2.0326 2.0498 2.0837 4.2099 4.3727 4.3971 4.4026 5.1708 5.2041 5.2224 5.3464 6.2566 6.2800 6.3087 6.3343 6.5494 6.5575 6.6119 6.6699 9.5088 9.5245 9.5299 9.5353 10.1749 10.1864 10.1993 10.2004 10.7787 10.8135 k = 0.2031 0.1613 0.8040 ( 9212 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6116 -4.6034 -4.6004 -4.5920 -2.6153 -2.6152 -2.6149 -2.6130 0.4065 0.4102 0.4234 0.4291 1.9823 1.9972 2.0168 2.0528 4.2515 4.4339 4.4584 4.4616 5.1416 5.1826 5.1987 5.3397 6.2647 6.2881 6.3119 6.3307 6.5178 6.5341 6.5826 6.6440 9.5278 9.5411 9.5487 9.5533 10.1576 10.1653 10.1781 10.1811 10.8249 10.8575 k = 0.2188 0.1737 0.8040 ( 9216 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9957 -34.9955 -34.7167 -34.7165 -34.7165 -34.7162 -34.6995 -34.6995 -34.6995 -34.6995 -4.6116 -4.6028 -4.6008 -4.5918 -2.6162 -2.6160 -2.6158 -2.6138 0.4157 0.4202 0.4347 0.4386 1.9604 1.9705 1.9925 2.0301 4.2827 4.4832 4.5008 4.5135 5.1157 5.1650 5.1773 5.3343 6.2748 6.2960 6.3149 6.3234 6.4924 6.5205 6.5573 6.6241 9.5436 9.5533 9.5635 9.5676 10.1446 10.1485 10.1591 10.1662 10.8701 10.8995 k = 0.2344 0.1861 0.8040 ( 9224 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9955 -34.7167 -34.7165 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6116 -4.6023 -4.6013 -4.5917 -2.6167 -2.6165 -2.6164 -2.6143 0.4215 0.4265 0.4421 0.4441 1.9480 1.9531 1.9776 2.0162 4.3020 4.5169 4.5263 4.5478 5.0971 5.1543 5.1610 5.3307 6.2868 6.3021 6.3126 6.3170 6.4755 6.5172 6.5371 6.6114 9.5549 9.5600 9.5730 9.5767 10.1376 10.1377 10.1452 10.1564 10.9080 10.9346 k = 0.2500 0.1985 0.8040 ( 9228 PWs) bands (ev): -68.0520 -68.0520 -68.0520 -68.0520 -34.9960 -34.9958 -34.9958 -34.9956 -34.7167 -34.7165 -34.7165 -34.7163 -34.6995 -34.6995 -34.6995 -34.6995 -4.6116 -4.6017 -4.6017 -4.5917 -2.6169 -2.6166 -2.6166 -2.6145 0.4234 0.4286 0.4454 0.4454 1.9455 1.9455 1.9726 2.0115 4.3086 4.5319 4.5319 4.5599 5.0903 5.1528 5.1528 5.3294 6.2999 6.2999 6.3045 6.3178 6.4695 6.5233 6.5233 6.6071 9.5606 9.5606 9.5763 9.5799 10.1339 10.1379 10.1379 10.1530 10.9246 10.9545 Writing output data file MgSiSb2.save init_run : 3.42s CPU 14.00s WALL ( 1 calls) electrons : 1375.89s CPU 1385.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 1375.88s CPU 1385.09s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.16s CPU 0.66s WALL ( 1 calls) newd : 0.67s CPU 0.89s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.29s WALL ( 273 calls) cegterg : 1288.90s CPU 1295.44s WALL ( 704 calls) Called by sum_band: Called by *egterg: h_psi : 722.76s CPU 732.16s WALL ( 12672 calls) s_psi : 77.16s CPU 77.47s WALL ( 12672 calls) g_psi : 1.69s CPU 1.67s WALL ( 11695 calls) cdiaghg : 322.77s CPU 320.07s WALL ( 11968 calls) cegterg:over : 103.71s CPU 100.62s WALL ( 11695 calls) cegterg:upda : 34.06s CPU 37.80s WALL ( 11695 calls) cegterg:last : 26.92s CPU 27.70s WALL ( 2041 calls) Called by h_psi: h_psi:vloc : 569.29s CPU 576.06s WALL ( 12672 calls) h_psi:vnl : 152.64s CPU 154.45s WALL ( 12672 calls) add_vuspsi : 61.03s CPU 64.93s WALL ( 12672 calls) General routines calbec : 91.55s CPU 89.36s WALL ( 12672 calls) fft : 0.22s CPU 1.21s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 528.26s CPU 532.67s WALL ( 1391080 calls) interpolate : 0.09s CPU 0.14s WALL ( 4 calls) davcio : 0.03s CPU 2.19s WALL ( 546 calls) Parallel routines fft_scatter : 248.31s CPU 249.13s WALL ( 1391103 calls) PWSCF : 24m15.89s CPU 27m10.13s WALL This run was terminated on: 22:58: 2 20Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=