Program PWSCF v.5.1.1 starts on 25Nov2015 at 12:30:46 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: ./BixBO2x3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 34 19 5 1548 669 103 Max 35 20 6 1553 691 110 Sum 1641 949 277 74417 32691 5135 bravais-lattice index = 14 lattice parameter (alat) = 8.2162 a.u. unit-cell volume = 751.8344 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.216200 celldm(2)= 1.000000 celldm(3)= 1.496587 celldm(4)= 0.220078 celldm(5)= 0.220078 celldm(6)= 0.340151 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.340151 0.940371 0.000000 ) a(3) = ( 0.329365 0.231112 1.441485 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.361720 -0.170496 ) b(2) = ( 0.000000 1.063410 -0.170496 ) b(3) = ( 0.000000 0.000000 0.693729 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) B 3.00 10.81100 B( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0108696 0.0076271 -0.0037064), wk = 0.0029940 k( 3) = ( 0.0217391 0.0152541 -0.0074129), wk = 0.0029940 k( 4) = ( 0.0326087 0.0228812 -0.0111193), wk = 0.0029940 k( 5) = ( 0.0434783 0.0305083 -0.0148257), wk = 0.0029940 k( 6) = ( 0.0543478 0.0381353 -0.0185322), wk = 0.0029940 k( 7) = ( 0.0652174 0.0457624 -0.0222386), wk = 0.0029940 k( 8) = ( 0.0760870 0.0533895 -0.0259450), wk = 0.0029940 k( 9) = ( 0.0869565 0.0610165 -0.0296515), wk = 0.0029940 k( 10) = ( 0.0978261 0.0686436 -0.0333579), wk = 0.0029940 k( 11) = ( 0.1086957 0.0762707 -0.0370644), wk = 0.0029940 k( 12) = ( 0.1195652 0.0838977 -0.0407708), wk = 0.0029940 k( 13) = ( 0.1304348 0.0915248 -0.0444772), wk = 0.0029940 k( 14) = ( 0.1413043 0.0991519 -0.0481837), wk = 0.0029940 k( 15) = ( 0.1521739 0.1067789 -0.0518901), wk = 0.0029940 k( 16) = ( 0.1630435 0.1144060 -0.0555965), wk = 0.0029940 k( 17) = ( 0.1739130 0.1220331 -0.0593030), wk = 0.0029940 k( 18) = ( 0.1847826 0.1296601 -0.0630094), wk = 0.0029940 k( 19) = ( 0.1956522 0.1372872 -0.0667158), wk = 0.0029940 k( 20) = ( 0.2065217 0.1449143 -0.0704223), wk = 0.0029940 k( 21) = ( 0.2173913 0.1525413 -0.0741287), wk = 0.0029940 k( 22) = ( 0.2282609 0.1601684 -0.0778351), wk = 0.0029940 k( 23) = ( 0.2391304 0.1677954 -0.0815416), wk = 0.0029940 k( 24) = ( 0.2500000 0.1754225 -0.0852480), wk = 0.0029940 k( 25) = ( 0.2608696 0.1830496 -0.0889544), wk = 0.0029940 k( 26) = ( 0.2717391 0.1906766 -0.0926609), wk = 0.0029940 k( 27) = ( 0.2826087 0.1983037 -0.0963673), wk = 0.0029940 k( 28) = ( 0.2934783 0.2059308 -0.1000738), wk = 0.0029940 k( 29) = ( 0.3043478 0.2135578 -0.1037802), wk = 0.0029940 k( 30) = ( 0.3152174 0.2211849 -0.1074866), wk = 0.0029940 k( 31) = ( 0.3260870 0.2288120 -0.1111931), wk = 0.0029940 k( 32) = ( 0.3369565 0.2364390 -0.1148995), wk = 0.0029940 k( 33) = ( 0.3478261 0.2440661 -0.1186059), wk = 0.0029940 k( 34) = ( 0.3586956 0.2516932 -0.1223124), wk = 0.0029940 k( 35) = ( 0.3695652 0.2593202 -0.1260188), wk = 0.0029940 k( 36) = ( 0.3804348 0.2669473 -0.1297252), wk = 0.0029940 k( 37) = ( 0.3913044 0.2745744 -0.1334317), wk = 0.0029940 k( 38) = ( 0.4021739 0.2822014 -0.1371381), wk = 0.0029940 k( 39) = ( 0.4130435 0.2898285 -0.1408445), wk = 0.0029940 k( 40) = ( 0.4239130 0.2974556 -0.1445510), wk = 0.0029940 k( 41) = ( 0.4347826 0.3050826 -0.1482574), wk = 0.0029940 k( 42) = ( 0.4456522 0.3127097 -0.1519638), wk = 0.0029940 k( 43) = ( 0.4565217 0.3203368 -0.1556703), wk = 0.0029940 k( 44) = ( 0.4673913 0.3279638 -0.1593767), wk = 0.0029940 k( 45) = ( 0.4782609 0.3355909 -0.1630832), wk = 0.0029940 k( 46) = ( 0.4891304 0.3432180 -0.1667896), wk = 0.0029940 k( 47) = ( 0.5000000 0.3508450 -0.1704960), wk = 0.0029940 k( 48) = ( 0.5000000 0.3508450 -0.1704960), wk = 0.0029940 k( 49) = ( 0.5028785 0.3528648 -0.1578983), wk = 0.0029940 k( 50) = ( 0.5057569 0.3548846 -0.1453005), wk = 0.0029940 k( 51) = ( 0.5086354 0.3569044 -0.1327027), wk = 0.0029940 k( 52) = ( 0.5115139 0.3589242 -0.1201050), wk = 0.0029940 k( 53) = ( 0.5143923 0.3609440 -0.1075072), wk = 0.0029940 k( 54) = ( 0.5172708 0.3629638 -0.0949095), wk = 0.0029940 k( 55) = ( 0.5201493 0.3649836 -0.0823117), wk = 0.0029940 k( 56) = ( 0.5230277 0.3670034 -0.0697140), wk = 0.0029940 k( 57) = ( 0.5259062 0.3690232 -0.0571162), wk = 0.0029940 k( 58) = ( 0.5287847 0.3710429 -0.0445185), wk = 0.0029940 k( 59) = ( 0.5316631 0.3730627 -0.0319207), wk = 0.0029940 k( 60) = ( 0.5345416 0.3750825 -0.0193229), wk = 0.0029940 k( 61) = ( 0.5374201 0.3771023 -0.0067252), wk = 0.0029940 k( 62) = ( 0.5402985 0.3791221 0.0058726), wk = 0.0029940 k( 63) = ( 0.5402985 0.3791221 0.0058726), wk = 0.0029940 k( 64) = ( 0.5371986 0.3769470 0.0189877), wk = 0.0029940 k( 65) = ( 0.5340988 0.3747718 0.0321027), wk = 0.0029940 k( 66) = ( 0.5309989 0.3725966 0.0452178), wk = 0.0029940 k( 67) = ( 0.5278990 0.3704215 0.0583329), wk = 0.0029940 k( 68) = ( 0.5247991 0.3682463 0.0714480), wk = 0.0029940 k( 69) = ( 0.5216992 0.3660711 0.0845630), wk = 0.0029940 k( 70) = ( 0.5185993 0.3638960 0.0976781), wk = 0.0029940 k( 71) = ( 0.5154994 0.3617208 0.1107932), wk = 0.0029940 k( 72) = ( 0.5123996 0.3595457 0.1239083), wk = 0.0029940 k( 73) = ( 0.5092997 0.3573705 0.1370234), wk = 0.0029940 k( 74) = ( 0.5061998 0.3551954 0.1501384), wk = 0.0029940 k( 75) = ( 0.5030999 0.3530202 0.1632535), wk = 0.0029940 k( 76) = ( 0.5000000 0.3508450 0.1763686), wk = 0.0029940 k( 77) = ( 0.5000000 0.3508450 0.1763686), wk = 0.0029940 k( 78) = ( 0.5078170 0.3397048 0.1763686), wk = 0.0029940 k( 79) = ( 0.5156340 0.3285645 0.1763686), wk = 0.0029940 k( 80) = ( 0.5234510 0.3174243 0.1763686), wk = 0.0029940 k( 81) = ( 0.5312680 0.3062840 0.1763686), wk = 0.0029940 k( 82) = ( 0.5390850 0.2951438 0.1763686), wk = 0.0029940 k( 83) = ( 0.5469020 0.2840035 0.1763686), wk = 0.0029940 k( 84) = ( 0.5547190 0.2728633 0.1763686), wk = 0.0029940 k( 85) = ( 0.5625360 0.2617230 0.1763686), wk = 0.0029940 k( 86) = ( 0.5703530 0.2505828 0.1763686), wk = 0.0029940 k( 87) = ( 0.5781700 0.2394425 0.1763686), wk = 0.0029940 k( 88) = ( 0.5859870 0.2283023 0.1763686), wk = 0.0029940 k( 89) = ( 0.5938040 0.2171620 0.1763686), wk = 0.0029940 k( 90) = ( 0.6016210 0.2060218 0.1763686), wk = 0.0029940 k( 91) = ( 0.6094380 0.1948815 0.1763686), wk = 0.0029940 k( 92) = ( 0.6172550 0.1837413 0.1763686), wk = 0.0029940 k( 93) = ( 0.6250720 0.1726010 0.1763686), wk = 0.0029940 k( 94) = ( 0.6328890 0.1614608 0.1763686), wk = 0.0029940 k( 95) = ( 0.6407061 0.1503205 0.1763686), wk = 0.0029940 k( 96) = ( 0.6485230 0.1391803 0.1763686), wk = 0.0029940 k( 97) = ( 0.6563400 0.1280400 0.1763686), wk = 0.0029940 k( 98) = ( 0.3436599 -0.4897603 0.3468646), wk = 0.0029940 k( 99) = ( 0.3358495 -0.4786294 0.3468646), wk = 0.0029940 k( 100) = ( 0.3280390 -0.4674985 0.3468646), wk = 0.0029940 k( 101) = ( 0.3202286 -0.4563676 0.3468646), wk = 0.0029940 k( 102) = ( 0.3124181 -0.4452366 0.3468646), wk = 0.0029940 k( 103) = ( 0.3046077 -0.4341057 0.3468646), wk = 0.0029940 k( 104) = ( 0.2967972 -0.4229748 0.3468646), wk = 0.0029940 k( 105) = ( 0.2889868 -0.4118439 0.3468646), wk = 0.0029940 k( 106) = ( 0.2811763 -0.4007130 0.3468646), wk = 0.0029940 k( 107) = ( 0.2733659 -0.3895821 0.3468646), wk = 0.0029940 k( 108) = ( 0.2655554 -0.3784512 0.3468646), wk = 0.0029940 k( 109) = ( 0.2577450 -0.3673202 0.3468646), wk = 0.0029940 k( 110) = ( 0.2499345 -0.3561893 0.3468646), wk = 0.0029940 k( 111) = ( 0.2421241 -0.3450584 0.3468646), wk = 0.0029940 k( 112) = ( 0.2343136 -0.3339275 0.3468646), wk = 0.0029940 k( 113) = ( 0.2265031 -0.3227966 0.3468646), wk = 0.0029940 k( 114) = ( 0.2186927 -0.3116657 0.3468646), wk = 0.0029940 k( 115) = ( 0.2108822 -0.3005347 0.3468646), wk = 0.0029940 k( 116) = ( 0.2030718 -0.2894038 0.3468646), wk = 0.0029940 k( 117) = ( 0.1952613 -0.2782729 0.3468646), wk = 0.0029940 k( 118) = ( 0.1874509 -0.2671420 0.3468646), wk = 0.0029940 k( 119) = ( 0.1796404 -0.2560111 0.3468646), wk = 0.0029940 k( 120) = ( 0.1718300 -0.2448802 0.3468646), wk = 0.0029940 k( 121) = ( 0.1640195 -0.2337492 0.3468646), wk = 0.0029940 k( 122) = ( 0.1562091 -0.2226183 0.3468646), wk = 0.0029940 k( 123) = ( 0.1483986 -0.2114874 0.3468646), wk = 0.0029940 k( 124) = ( 0.1405882 -0.2003565 0.3468646), wk = 0.0029940 k( 125) = ( 0.1327777 -0.1892256 0.3468646), wk = 0.0029940 k( 126) = ( 0.1249673 -0.1780947 0.3468646), wk = 0.0029940 k( 127) = ( 0.1171568 -0.1669637 0.3468646), wk = 0.0029940 k( 128) = ( 0.1093463 -0.1558328 0.3468646), wk = 0.0029940 k( 129) = ( 0.1015359 -0.1447019 0.3468646), wk = 0.0029940 k( 130) = ( 0.0937254 -0.1335710 0.3468646), wk = 0.0029940 k( 131) = ( 0.0859150 -0.1224401 0.3468646), wk = 0.0029940 k( 132) = ( 0.0781045 -0.1113092 0.3468646), wk = 0.0029940 k( 133) = ( 0.0702941 -0.1001782 0.3468646), wk = 0.0029940 k( 134) = ( 0.0624836 -0.0890473 0.3468646), wk = 0.0029940 k( 135) = ( 0.0546732 -0.0779164 0.3468646), wk = 0.0029940 k( 136) = ( 0.0468627 -0.0667855 0.3468646), wk = 0.0029940 k( 137) = ( 0.0390523 -0.0556546 0.3468646), wk = 0.0029940 k( 138) = ( 0.0312418 -0.0445237 0.3468646), wk = 0.0029940 k( 139) = ( 0.0234314 -0.0333927 0.3468646), wk = 0.0029940 k( 140) = ( 0.0156209 -0.0222618 0.3468646), wk = 0.0029940 k( 141) = ( 0.0078105 -0.0111309 0.3468646), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.3468646), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.3468646), wk = 0.0029940 k( 144) = ( 0.0112122 0.0078675 0.3468646), wk = 0.0029940 k( 145) = ( 0.0224245 0.0157350 0.3468646), wk = 0.0029940 k( 146) = ( 0.0336367 0.0236025 0.3468646), wk = 0.0029940 k( 147) = ( 0.0448489 0.0314700 0.3468646), wk = 0.0029940 k( 148) = ( 0.0560611 0.0393376 0.3468646), wk = 0.0029940 k( 149) = ( 0.0672734 0.0472051 0.3468646), wk = 0.0029940 k( 150) = ( 0.0784856 0.0550726 0.3468646), wk = 0.0029940 k( 151) = ( 0.0896978 0.0629401 0.3468646), wk = 0.0029940 k( 152) = ( 0.1009101 0.0708076 0.3468646), wk = 0.0029940 k( 153) = ( 0.1121223 0.0786751 0.3468646), wk = 0.0029940 k( 154) = ( 0.1233345 0.0865426 0.3468646), wk = 0.0029940 k( 155) = ( 0.1345468 0.0944101 0.3468646), wk = 0.0029940 k( 156) = ( 0.1457590 0.1022776 0.3468646), wk = 0.0029940 k( 157) = ( 0.1569712 0.1101452 0.3468646), wk = 0.0029940 k( 158) = ( 0.1681835 0.1180127 0.3468646), wk = 0.0029940 k( 159) = ( 0.1793957 0.1258802 0.3468646), wk = 0.0029940 k( 160) = ( 0.1906079 0.1337477 0.3468646), wk = 0.0029940 k( 161) = ( 0.2018202 0.1416152 0.3468646), wk = 0.0029940 k( 162) = ( 0.2130324 0.1494827 0.3468646), wk = 0.0029940 k( 163) = ( 0.2242446 0.1573502 0.3468646), wk = 0.0029940 k( 164) = ( 0.2354568 0.1652177 0.3468646), wk = 0.0029940 k( 165) = ( 0.2466691 0.1730852 0.3468646), wk = 0.0029940 k( 166) = ( 0.2578813 0.1809528 0.3468646), wk = 0.0029940 k( 167) = ( 0.2690935 0.1888203 0.3468646), wk = 0.0029940 k( 168) = ( 0.2803058 0.1966878 0.3468646), wk = 0.0029940 k( 169) = ( 0.2915180 0.2045553 0.3468646), wk = 0.0029940 k( 170) = ( 0.3027302 0.2124228 0.3468646), wk = 0.0029940 k( 171) = ( 0.3139425 0.2202903 0.3468646), wk = 0.0029940 k( 172) = ( 0.3251547 0.2281578 0.3468646), wk = 0.0029940 k( 173) = ( 0.3363669 0.2360253 0.3468646), wk = 0.0029940 k( 174) = ( 0.3475792 0.2438928 0.3468646), wk = 0.0029940 k( 175) = ( 0.3587914 0.2517603 0.3468646), wk = 0.0029940 k( 176) = ( 0.3700036 0.2596279 0.3468646), wk = 0.0029940 k( 177) = ( 0.3812159 0.2674954 0.3468646), wk = 0.0029940 k( 178) = ( 0.3924281 0.2753629 0.3468646), wk = 0.0029940 k( 179) = ( 0.4036403 0.2832304 0.3468646), wk = 0.0029940 k( 180) = ( 0.4148525 0.2910979 0.3468646), wk = 0.0029940 k( 181) = ( 0.4260648 0.2989654 0.3468646), wk = 0.0029940 k( 182) = ( 0.4372770 0.3068329 0.3468646), wk = 0.0029940 k( 183) = ( 0.4484892 0.3147004 0.3468646), wk = 0.0029940 k( 184) = ( 0.4597015 0.3225679 0.3468646), wk = 0.0029940 k( 185) = ( 0.5000000 0.3508450 -0.1704960), wk = 0.0029940 k( 186) = ( 0.5078212 0.3396989 -0.1704960), wk = 0.0029940 k( 187) = ( 0.5156423 0.3285527 -0.1704960), wk = 0.0029940 k( 188) = ( 0.5234635 0.3174065 -0.1704960), wk = 0.0029940 k( 189) = ( 0.5312846 0.3062604 -0.1704960), wk = 0.0029940 k( 190) = ( 0.5391057 0.2951142 -0.1704960), wk = 0.0029940 k( 191) = ( 0.5469269 0.2839681 -0.1704960), wk = 0.0029940 k( 192) = ( 0.5547480 0.2728219 -0.1704960), wk = 0.0029940 k( 193) = ( 0.5625692 0.2616758 -0.1704960), wk = 0.0029940 k( 194) = ( 0.5703903 0.2505296 -0.1704960), wk = 0.0029940 k( 195) = ( 0.5782115 0.2393834 -0.1704960), wk = 0.0029940 k( 196) = ( 0.5860326 0.2282373 -0.1704960), wk = 0.0029940 k( 197) = ( 0.5938538 0.2170911 -0.1704960), wk = 0.0029940 k( 198) = ( 0.6016749 0.2059450 -0.1704960), wk = 0.0029940 k( 199) = ( 0.6094961 0.1947988 -0.1704960), wk = 0.0029940 k( 200) = ( 0.6173172 0.1836526 -0.1704960), wk = 0.0029940 k( 201) = ( 0.3826828 -0.5453729 0.0000000), wk = 0.0029940 k( 202) = ( 0.3748729 -0.5342429 0.0000000), wk = 0.0029940 k( 203) = ( 0.3670631 -0.5231128 0.0000000), wk = 0.0029940 k( 204) = ( 0.3592532 -0.5119828 0.0000000), wk = 0.0029940 k( 205) = ( 0.3514434 -0.5008527 0.0000000), wk = 0.0029940 k( 206) = ( 0.3436335 -0.4897226 0.0000000), wk = 0.0029940 k( 207) = ( 0.3358237 -0.4785926 0.0000000), wk = 0.0029940 k( 208) = ( 0.3280138 -0.4674625 0.0000000), wk = 0.0029940 k( 209) = ( 0.3202040 -0.4563325 0.0000000), wk = 0.0029940 k( 210) = ( 0.3123941 -0.4452024 0.0000000), wk = 0.0029940 k( 211) = ( 0.3045843 -0.4340723 0.0000000), wk = 0.0029940 k( 212) = ( 0.2967744 -0.4229423 0.0000000), wk = 0.0029940 k( 213) = ( 0.2889645 -0.4118122 0.0000000), wk = 0.0029940 k( 214) = ( 0.2811547 -0.4006822 0.0000000), wk = 0.0029940 k( 215) = ( 0.2733448 -0.3895521 0.0000000), wk = 0.0029940 k( 216) = ( 0.2655350 -0.3784220 0.0000000), wk = 0.0029940 k( 217) = ( 0.2577251 -0.3672920 0.0000000), wk = 0.0029940 k( 218) = ( 0.2499153 -0.3561619 0.0000000), wk = 0.0029940 k( 219) = ( 0.2421054 -0.3450319 0.0000000), wk = 0.0029940 k( 220) = ( 0.2342956 -0.3339018 0.0000000), wk = 0.0029940 k( 221) = ( 0.2264857 -0.3227717 0.0000000), wk = 0.0029940 k( 222) = ( 0.2186759 -0.3116417 0.0000000), wk = 0.0029940 k( 223) = ( 0.2108660 -0.3005116 0.0000000), wk = 0.0029940 k( 224) = ( 0.2030562 -0.2893816 0.0000000), wk = 0.0029940 k( 225) = ( 0.1952463 -0.2782515 0.0000000), wk = 0.0029940 k( 226) = ( 0.1874365 -0.2671214 0.0000000), wk = 0.0029940 k( 227) = ( 0.1796266 -0.2559914 0.0000000), wk = 0.0029940 k( 228) = ( 0.1718167 -0.2448613 0.0000000), wk = 0.0029940 k( 229) = ( 0.1640069 -0.2337313 0.0000000), wk = 0.0029940 k( 230) = ( 0.1561971 -0.2226012 0.0000000), wk = 0.0029940 k( 231) = ( 0.1483872 -0.2114711 0.0000000), wk = 0.0029940 k( 232) = ( 0.1405773 -0.2003411 0.0000000), wk = 0.0029940 k( 233) = ( 0.1327675 -0.1892110 0.0000000), wk = 0.0029940 k( 234) = ( 0.1249576 -0.1780810 0.0000000), wk = 0.0029940 k( 235) = ( 0.1171478 -0.1669509 0.0000000), wk = 0.0029940 k( 236) = ( 0.1093379 -0.1558208 0.0000000), wk = 0.0029940 k( 237) = ( 0.1015281 -0.1446908 0.0000000), wk = 0.0029940 k( 238) = ( 0.0937182 -0.1335607 0.0000000), wk = 0.0029940 k( 239) = ( 0.0859084 -0.1224307 0.0000000), wk = 0.0029940 k( 240) = ( 0.0780985 -0.1113006 0.0000000), wk = 0.0029940 k( 241) = ( 0.0702887 -0.1001705 0.0000000), wk = 0.0029940 k( 242) = ( 0.0624788 -0.0890405 0.0000000), wk = 0.0029940 k( 243) = ( 0.0546690 -0.0779104 0.0000000), wk = 0.0029940 k( 244) = ( 0.0468591 -0.0667804 0.0000000), wk = 0.0029940 k( 245) = ( 0.0390493 -0.0556503 0.0000000), wk = 0.0029940 k( 246) = ( 0.0312394 -0.0445202 0.0000000), wk = 0.0029940 k( 247) = ( 0.0234296 -0.0333902 0.0000000), wk = 0.0029940 k( 248) = ( 0.0156197 -0.0222601 0.0000000), wk = 0.0029940 k( 249) = ( 0.0078099 -0.0111301 0.0000000), wk = 0.0029940 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 251) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 252) = ( 0.0128205 -0.0046374 -0.0021858), wk = 0.0029940 k( 253) = ( 0.0256410 -0.0092749 -0.0043717), wk = 0.0029940 k( 254) = ( 0.0384615 -0.0139123 -0.0065575), wk = 0.0029940 k( 255) = ( 0.0512821 -0.0185498 -0.0087434), wk = 0.0029940 k( 256) = ( 0.0641026 -0.0231872 -0.0109292), wk = 0.0029940 k( 257) = ( 0.0769231 -0.0278246 -0.0131151), wk = 0.0029940 k( 258) = ( 0.0897436 -0.0324621 -0.0153009), wk = 0.0029940 k( 259) = ( 0.1025641 -0.0370995 -0.0174868), wk = 0.0029940 k( 260) = ( 0.1153846 -0.0417370 -0.0196726), wk = 0.0029940 k( 261) = ( 0.1282051 -0.0463744 -0.0218585), wk = 0.0029940 k( 262) = ( 0.1410256 -0.0510118 -0.0240443), wk = 0.0029940 k( 263) = ( 0.1538461 -0.0556493 -0.0262302), wk = 0.0029940 k( 264) = ( 0.1666667 -0.0602867 -0.0284160), wk = 0.0029940 k( 265) = ( 0.1794872 -0.0649242 -0.0306019), wk = 0.0029940 k( 266) = ( 0.1923077 -0.0695616 -0.0327877), wk = 0.0029940 k( 267) = ( 0.2051282 -0.0741990 -0.0349735), wk = 0.0029940 k( 268) = ( 0.2179487 -0.0788365 -0.0371594), wk = 0.0029940 k( 269) = ( 0.2307692 -0.0834739 -0.0393452), wk = 0.0029940 k( 270) = ( 0.2435897 -0.0881114 -0.0415311), wk = 0.0029940 k( 271) = ( 0.2564103 -0.0927488 -0.0437169), wk = 0.0029940 k( 272) = ( 0.2692308 -0.0973862 -0.0459028), wk = 0.0029940 k( 273) = ( 0.2820513 -0.1020237 -0.0480886), wk = 0.0029940 k( 274) = ( 0.2948718 -0.1066611 -0.0502745), wk = 0.0029940 k( 275) = ( 0.3076923 -0.1112986 -0.0524603), wk = 0.0029940 k( 276) = ( 0.3205128 -0.1159360 -0.0546462), wk = 0.0029940 k( 277) = ( 0.3333333 -0.1205734 -0.0568320), wk = 0.0029940 k( 278) = ( 0.3461538 -0.1252109 -0.0590179), wk = 0.0029940 k( 279) = ( 0.3589744 -0.1298483 -0.0612037), wk = 0.0029940 k( 280) = ( 0.3717949 -0.1344857 -0.0633895), wk = 0.0029940 k( 281) = ( 0.3846154 -0.1391232 -0.0655754), wk = 0.0029940 k( 282) = ( 0.3974359 -0.1437606 -0.0677612), wk = 0.0029940 k( 283) = ( 0.4102564 -0.1483981 -0.0699471), wk = 0.0029940 k( 284) = ( 0.4230769 -0.1530355 -0.0721329), wk = 0.0029940 k( 285) = ( 0.4358974 -0.1576729 -0.0743188), wk = 0.0029940 k( 286) = ( 0.4487179 -0.1623104 -0.0765046), wk = 0.0029940 k( 287) = ( 0.4615385 -0.1669478 -0.0786905), wk = 0.0029940 k( 288) = ( 0.4743590 -0.1715853 -0.0808763), wk = 0.0029940 k( 289) = ( 0.4871795 -0.1762227 -0.0830622), wk = 0.0029940 k( 290) = ( 0.5000000 -0.1808601 -0.0852480), wk = 0.0029940 k( 291) = ( 0.5000000 -0.1808601 0.2616166), wk = 0.0029940 k( 292) = ( 0.4883721 -0.1766541 0.2555325), wk = 0.0029940 k( 293) = ( 0.4767442 -0.1724480 0.2494484), wk = 0.0029940 k( 294) = ( 0.4651163 -0.1682420 0.2433643), wk = 0.0029940 k( 295) = ( 0.4534884 -0.1640359 0.2372802), wk = 0.0029940 k( 296) = ( 0.4418605 -0.1598299 0.2311961), wk = 0.0029940 k( 297) = ( 0.4302326 -0.1556238 0.2251120), wk = 0.0029940 k( 298) = ( 0.4186047 -0.1514178 0.2190279), wk = 0.0029940 k( 299) = ( 0.4069767 -0.1472117 0.2129437), wk = 0.0029940 k( 300) = ( 0.3953488 -0.1430057 0.2068596), wk = 0.0029940 k( 301) = ( 0.3837209 -0.1387996 0.2007755), wk = 0.0029940 k( 302) = ( 0.3720930 -0.1345936 0.1946914), wk = 0.0029940 k( 303) = ( 0.3604651 -0.1303875 0.1886073), wk = 0.0029940 k( 304) = ( 0.3488372 -0.1261815 0.1825232), wk = 0.0029940 k( 305) = ( 0.3372093 -0.1219754 0.1764391), wk = 0.0029940 k( 306) = ( 0.3255814 -0.1177694 0.1703550), wk = 0.0029940 k( 307) = ( 0.3139535 -0.1135633 0.1642709), wk = 0.0029940 k( 308) = ( 0.3023256 -0.1093573 0.1581868), wk = 0.0029940 k( 309) = ( 0.2906977 -0.1051512 0.1521027), wk = 0.0029940 k( 310) = ( 0.2790698 -0.1009452 0.1460186), wk = 0.0029940 k( 311) = ( 0.2674419 -0.0967391 0.1399345), wk = 0.0029940 k( 312) = ( 0.2558140 -0.0925331 0.1338504), wk = 0.0029940 k( 313) = ( 0.2441860 -0.0883270 0.1277663), wk = 0.0029940 k( 314) = ( 0.2325581 -0.0841210 0.1216821), wk = 0.0029940 k( 315) = ( 0.2209302 -0.0799149 0.1155980), wk = 0.0029940 k( 316) = ( 0.2093023 -0.0757089 0.1095139), wk = 0.0029940 k( 317) = ( 0.1976744 -0.0715028 0.1034298), wk = 0.0029940 k( 318) = ( 0.1860465 -0.0672968 0.0973457), wk = 0.0029940 k( 319) = ( 0.1744186 -0.0630907 0.0912616), wk = 0.0029940 k( 320) = ( 0.1627907 -0.0588847 0.0851775), wk = 0.0029940 k( 321) = ( 0.1511628 -0.0546786 0.0790934), wk = 0.0029940 k( 322) = ( 0.1395349 -0.0504726 0.0730093), wk = 0.0029940 k( 323) = ( 0.1279070 -0.0462665 0.0669252), wk = 0.0029940 k( 324) = ( 0.1162791 -0.0420605 0.0608411), wk = 0.0029940 k( 325) = ( 0.1046512 -0.0378544 0.0547570), wk = 0.0029940 k( 326) = ( 0.0930233 -0.0336484 0.0486729), wk = 0.0029940 k( 327) = ( 0.0813954 -0.0294423 0.0425888), wk = 0.0029940 k( 328) = ( 0.0697674 -0.0252363 0.0365046), wk = 0.0029940 k( 329) = ( 0.0581395 -0.0210302 0.0304205), wk = 0.0029940 k( 330) = ( 0.0465116 -0.0168242 0.0243364), wk = 0.0029940 k( 331) = ( 0.0348837 -0.0126181 0.0182523), wk = 0.0029940 k( 332) = ( 0.0232558 -0.0084121 0.0121682), wk = 0.0029940 k( 333) = ( 0.0116279 -0.0042061 0.0060841), wk = 0.0029940 k( 334) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0029940 k( 3) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0029940 k( 4) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0029940 k( 5) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0029940 k( 6) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0029940 k( 7) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0029940 k( 8) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0029940 k( 9) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0029940 k( 10) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0029940 k( 11) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0029940 k( 12) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0029940 k( 13) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0029940 k( 14) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0029940 k( 15) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0029940 k( 16) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0029940 k( 17) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0029940 k( 18) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0029940 k( 19) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0029940 k( 20) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0029940 k( 21) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0029940 k( 22) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0029940 k( 23) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0029940 k( 24) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029940 k( 25) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0029940 k( 26) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0029940 k( 27) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0029940 k( 28) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0029940 k( 29) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0029940 k( 30) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0029940 k( 31) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0029940 k( 32) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0029940 k( 33) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0029940 k( 34) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0029940 k( 35) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0029940 k( 36) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0029940 k( 37) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0029940 k( 38) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0029940 k( 39) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0029940 k( 40) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0029940 k( 41) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0029940 k( 42) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0029940 k( 43) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0029940 k( 44) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0029940 k( 45) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0029940 k( 46) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0029940 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029940 k( 48) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029940 k( 49) = ( 0.5028785 0.5028785 0.0195743), wk = 0.0029940 k( 50) = ( 0.5057569 0.5057569 0.0391487), wk = 0.0029940 k( 51) = ( 0.5086354 0.5086354 0.0587230), wk = 0.0029940 k( 52) = ( 0.5115139 0.5115139 0.0782974), wk = 0.0029940 k( 53) = ( 0.5143923 0.5143923 0.0978717), wk = 0.0029940 k( 54) = ( 0.5172708 0.5172708 0.1174460), wk = 0.0029940 k( 55) = ( 0.5201493 0.5201493 0.1370204), wk = 0.0029940 k( 56) = ( 0.5230277 0.5230277 0.1565947), wk = 0.0029940 k( 57) = ( 0.5259062 0.5259062 0.1761690), wk = 0.0029940 k( 58) = ( 0.5287847 0.5287847 0.1957434), wk = 0.0029940 k( 59) = ( 0.5316631 0.5316631 0.2153177), wk = 0.0029940 k( 60) = ( 0.5345416 0.5345416 0.2348921), wk = 0.0029940 k( 61) = ( 0.5374201 0.5374201 0.2544664), wk = 0.0029940 k( 62) = ( 0.5402985 0.5402985 0.2740407), wk = 0.0029940 k( 63) = ( 0.5402985 0.5402985 0.2740407), wk = 0.0029940 k( 64) = ( 0.5371986 0.5371987 0.2914222), wk = 0.0029940 k( 65) = ( 0.5340988 0.5340988 0.3088037), wk = 0.0029940 k( 66) = ( 0.5309989 0.5309989 0.3261852), wk = 0.0029940 k( 67) = ( 0.5278990 0.5278990 0.3435667), wk = 0.0029940 k( 68) = ( 0.5247991 0.5247991 0.3609482), wk = 0.0029940 k( 69) = ( 0.5216992 0.5216992 0.3783296), wk = 0.0029940 k( 70) = ( 0.5185993 0.5185993 0.3957111), wk = 0.0029940 k( 71) = ( 0.5154994 0.5154994 0.4130926), wk = 0.0029940 k( 72) = ( 0.5123996 0.5123996 0.4304741), wk = 0.0029940 k( 73) = ( 0.5092997 0.5092997 0.4478556), wk = 0.0029940 k( 74) = ( 0.5061998 0.5061998 0.4652370), wk = 0.0029940 k( 75) = ( 0.5030999 0.5030999 0.4826185), wk = 0.0029940 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 78) = ( 0.5078170 0.4921830 0.5000000), wk = 0.0029940 k( 79) = ( 0.5156340 0.4843660 0.5000000), wk = 0.0029940 k( 80) = ( 0.5234510 0.4765490 0.5000000), wk = 0.0029940 k( 81) = ( 0.5312680 0.4687320 0.5000000), wk = 0.0029940 k( 82) = ( 0.5390850 0.4609150 0.5000000), wk = 0.0029940 k( 83) = ( 0.5469020 0.4530980 0.5000000), wk = 0.0029940 k( 84) = ( 0.5547190 0.4452810 0.5000000), wk = 0.0029940 k( 85) = ( 0.5625360 0.4374640 0.5000000), wk = 0.0029940 k( 86) = ( 0.5703530 0.4296470 0.5000000), wk = 0.0029940 k( 87) = ( 0.5781700 0.4218300 0.5000000), wk = 0.0029940 k( 88) = ( 0.5859870 0.4140130 0.5000000), wk = 0.0029940 k( 89) = ( 0.5938040 0.4061960 0.5000000), wk = 0.0029940 k( 90) = ( 0.6016210 0.3983790 0.5000000), wk = 0.0029940 k( 91) = ( 0.6094380 0.3905620 0.5000000), wk = 0.0029940 k( 92) = ( 0.6172550 0.3827450 0.5000000), wk = 0.0029940 k( 93) = ( 0.6250720 0.3749280 0.5000000), wk = 0.0029940 k( 94) = ( 0.6328890 0.3671110 0.5000000), wk = 0.0029940 k( 95) = ( 0.6407061 0.3592939 0.5000000), wk = 0.0029940 k( 96) = ( 0.6485230 0.3514770 0.5000000), wk = 0.0029940 k( 97) = ( 0.6563400 0.3436600 0.5000000), wk = 0.0029940 k( 98) = ( 0.3436599 -0.3436600 0.5000000), wk = 0.0029940 k( 99) = ( 0.3358495 -0.3358495 0.5000000), wk = 0.0029940 k( 100) = ( 0.3280390 -0.3280390 0.5000000), wk = 0.0029940 k( 101) = ( 0.3202286 -0.3202286 0.5000000), wk = 0.0029940 k( 102) = ( 0.3124181 -0.3124181 0.5000000), wk = 0.0029940 k( 103) = ( 0.3046077 -0.3046077 0.5000000), wk = 0.0029940 k( 104) = ( 0.2967972 -0.2967972 0.5000000), wk = 0.0029940 k( 105) = ( 0.2889868 -0.2889868 0.5000000), wk = 0.0029940 k( 106) = ( 0.2811763 -0.2811763 0.5000000), wk = 0.0029940 k( 107) = ( 0.2733659 -0.2733659 0.5000000), wk = 0.0029940 k( 108) = ( 0.2655554 -0.2655554 0.5000000), wk = 0.0029940 k( 109) = ( 0.2577450 -0.2577450 0.5000000), wk = 0.0029940 k( 110) = ( 0.2499345 -0.2499345 0.5000000), wk = 0.0029940 k( 111) = ( 0.2421241 -0.2421241 0.5000000), wk = 0.0029940 k( 112) = ( 0.2343136 -0.2343136 0.5000000), wk = 0.0029940 k( 113) = ( 0.2265031 -0.2265032 0.5000000), wk = 0.0029940 k( 114) = ( 0.2186927 -0.2186927 0.5000000), wk = 0.0029940 k( 115) = ( 0.2108822 -0.2108822 0.5000000), wk = 0.0029940 k( 116) = ( 0.2030718 -0.2030718 0.5000000), wk = 0.0029940 k( 117) = ( 0.1952613 -0.1952613 0.5000000), wk = 0.0029940 k( 118) = ( 0.1874509 -0.1874509 0.5000000), wk = 0.0029940 k( 119) = ( 0.1796404 -0.1796404 0.5000000), wk = 0.0029940 k( 120) = ( 0.1718300 -0.1718300 0.5000000), wk = 0.0029940 k( 121) = ( 0.1640195 -0.1640195 0.5000000), wk = 0.0029940 k( 122) = ( 0.1562091 -0.1562091 0.5000000), wk = 0.0029940 k( 123) = ( 0.1483986 -0.1483986 0.5000000), wk = 0.0029940 k( 124) = ( 0.1405882 -0.1405882 0.5000000), wk = 0.0029940 k( 125) = ( 0.1327777 -0.1327777 0.5000000), wk = 0.0029940 k( 126) = ( 0.1249673 -0.1249673 0.5000000), wk = 0.0029940 k( 127) = ( 0.1171568 -0.1171568 0.5000000), wk = 0.0029940 k( 128) = ( 0.1093463 -0.1093464 0.5000000), wk = 0.0029940 k( 129) = ( 0.1015359 -0.1015359 0.5000000), wk = 0.0029940 k( 130) = ( 0.0937254 -0.0937254 0.5000000), wk = 0.0029940 k( 131) = ( 0.0859150 -0.0859150 0.5000000), wk = 0.0029940 k( 132) = ( 0.0781045 -0.0781045 0.5000000), wk = 0.0029940 k( 133) = ( 0.0702941 -0.0702941 0.5000000), wk = 0.0029940 k( 134) = ( 0.0624836 -0.0624836 0.5000000), wk = 0.0029940 k( 135) = ( 0.0546732 -0.0546732 0.5000000), wk = 0.0029940 k( 136) = ( 0.0468627 -0.0468627 0.5000000), wk = 0.0029940 k( 137) = ( 0.0390523 -0.0390523 0.5000000), wk = 0.0029940 k( 138) = ( 0.0312418 -0.0312418 0.5000000), wk = 0.0029940 k( 139) = ( 0.0234314 -0.0234314 0.5000000), wk = 0.0029940 k( 140) = ( 0.0156209 -0.0156209 0.5000000), wk = 0.0029940 k( 141) = ( 0.0078105 -0.0078105 0.5000000), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 144) = ( 0.0112122 0.0112122 0.5055112), wk = 0.0029940 k( 145) = ( 0.0224245 0.0224245 0.5110224), wk = 0.0029940 k( 146) = ( 0.0336367 0.0336367 0.5165336), wk = 0.0029940 k( 147) = ( 0.0448489 0.0448489 0.5220448), wk = 0.0029940 k( 148) = ( 0.0560611 0.0560611 0.5275560), wk = 0.0029940 k( 149) = ( 0.0672734 0.0672734 0.5330672), wk = 0.0029940 k( 150) = ( 0.0784856 0.0784856 0.5385784), wk = 0.0029940 k( 151) = ( 0.0896978 0.0896978 0.5440896), wk = 0.0029940 k( 152) = ( 0.1009101 0.1009101 0.5496008), wk = 0.0029940 k( 153) = ( 0.1121223 0.1121223 0.5551120), wk = 0.0029940 k( 154) = ( 0.1233345 0.1233345 0.5606232), wk = 0.0029940 k( 155) = ( 0.1345468 0.1345468 0.5661344), wk = 0.0029940 k( 156) = ( 0.1457590 0.1457590 0.5716456), wk = 0.0029940 k( 157) = ( 0.1569712 0.1569712 0.5771568), wk = 0.0029940 k( 158) = ( 0.1681835 0.1681835 0.5826680), wk = 0.0029940 k( 159) = ( 0.1793957 0.1793957 0.5881792), wk = 0.0029940 k( 160) = ( 0.1906079 0.1906079 0.5936904), wk = 0.0029940 k( 161) = ( 0.2018202 0.2018202 0.5992016), wk = 0.0029940 k( 162) = ( 0.2130324 0.2130324 0.6047128), wk = 0.0029940 k( 163) = ( 0.2242446 0.2242446 0.6102240), wk = 0.0029940 k( 164) = ( 0.2354568 0.2354568 0.6157352), wk = 0.0029940 k( 165) = ( 0.2466691 0.2466691 0.6212464), wk = 0.0029940 k( 166) = ( 0.2578813 0.2578813 0.6267576), wk = 0.0029940 k( 167) = ( 0.2690935 0.2690935 0.6322688), wk = 0.0029940 k( 168) = ( 0.2803058 0.2803058 0.6377800), wk = 0.0029940 k( 169) = ( 0.2915180 0.2915180 0.6432912), wk = 0.0029940 k( 170) = ( 0.3027302 0.3027302 0.6488024), wk = 0.0029940 k( 171) = ( 0.3139425 0.3139425 0.6543136), wk = 0.0029940 k( 172) = ( 0.3251547 0.3251547 0.6598248), wk = 0.0029940 k( 173) = ( 0.3363669 0.3363669 0.6653360), wk = 0.0029940 k( 174) = ( 0.3475792 0.3475792 0.6708472), wk = 0.0029940 k( 175) = ( 0.3587914 0.3587914 0.6763584), wk = 0.0029940 k( 176) = ( 0.3700036 0.3700036 0.6818696), wk = 0.0029940 k( 177) = ( 0.3812159 0.3812159 0.6873809), wk = 0.0029940 k( 178) = ( 0.3924281 0.3924281 0.6928920), wk = 0.0029940 k( 179) = ( 0.4036403 0.4036403 0.6984033), wk = 0.0029940 k( 180) = ( 0.4148525 0.4148525 0.7039144), wk = 0.0029940 k( 181) = ( 0.4260648 0.4260648 0.7094257), wk = 0.0029940 k( 182) = ( 0.4372770 0.4372770 0.7149368), wk = 0.0029940 k( 183) = ( 0.4484892 0.4484892 0.7204481), wk = 0.0029940 k( 184) = ( 0.4597015 0.4597015 0.7259593), wk = 0.0029940 k( 185) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029940 k( 186) = ( 0.5078212 0.4921789 -0.0000000), wk = 0.0029940 k( 187) = ( 0.5156423 0.4843577 -0.0000000), wk = 0.0029940 k( 188) = ( 0.5234635 0.4765366 -0.0000000), wk = 0.0029940 k( 189) = ( 0.5312846 0.4687154 -0.0000000), wk = 0.0029940 k( 190) = ( 0.5391057 0.4608943 -0.0000000), wk = 0.0029940 k( 191) = ( 0.5469269 0.4530731 -0.0000000), wk = 0.0029940 k( 192) = ( 0.5547480 0.4452520 -0.0000000), wk = 0.0029940 k( 193) = ( 0.5625692 0.4374308 -0.0000000), wk = 0.0029940 k( 194) = ( 0.5703903 0.4296097 -0.0000000), wk = 0.0029940 k( 195) = ( 0.5782115 0.4217885 -0.0000000), wk = 0.0029940 k( 196) = ( 0.5860326 0.4139674 -0.0000000), wk = 0.0029940 k( 197) = ( 0.5938538 0.4061462 -0.0000000), wk = 0.0029940 k( 198) = ( 0.6016749 0.3983251 -0.0000000), wk = 0.0029940 k( 199) = ( 0.6094961 0.3905039 0.0000000), wk = 0.0029940 k( 200) = ( 0.6173172 0.3826828 -0.0000000), wk = 0.0029940 k( 201) = ( 0.3826828 -0.3826828 -0.0000000), wk = 0.0029940 k( 202) = ( 0.3748729 -0.3748729 0.0000000), wk = 0.0029940 k( 203) = ( 0.3670631 -0.3670631 0.0000000), wk = 0.0029940 k( 204) = ( 0.3592532 -0.3592532 0.0000000), wk = 0.0029940 k( 205) = ( 0.3514434 -0.3514434 -0.0000000), wk = 0.0029940 k( 206) = ( 0.3436335 -0.3436335 -0.0000000), wk = 0.0029940 k( 207) = ( 0.3358237 -0.3358237 -0.0000000), wk = 0.0029940 k( 208) = ( 0.3280138 -0.3280138 -0.0000000), wk = 0.0029940 k( 209) = ( 0.3202040 -0.3202040 -0.0000000), wk = 0.0029940 k( 210) = ( 0.3123941 -0.3123941 -0.0000000), wk = 0.0029940 k( 211) = ( 0.3045843 -0.3045843 -0.0000000), wk = 0.0029940 k( 212) = ( 0.2967744 -0.2967744 -0.0000000), wk = 0.0029940 k( 213) = ( 0.2889645 -0.2889645 -0.0000000), wk = 0.0029940 k( 214) = ( 0.2811547 -0.2811547 -0.0000000), wk = 0.0029940 k( 215) = ( 0.2733448 -0.2733448 0.0000000), wk = 0.0029940 k( 216) = ( 0.2655350 -0.2655350 -0.0000000), wk = 0.0029940 k( 217) = ( 0.2577251 -0.2577251 0.0000000), wk = 0.0029940 k( 218) = ( 0.2499153 -0.2499153 -0.0000000), wk = 0.0029940 k( 219) = ( 0.2421054 -0.2421054 -0.0000000), wk = 0.0029940 k( 220) = ( 0.2342956 -0.2342956 0.0000000), wk = 0.0029940 k( 221) = ( 0.2264857 -0.2264857 -0.0000000), wk = 0.0029940 k( 222) = ( 0.2186759 -0.2186759 -0.0000000), wk = 0.0029940 k( 223) = ( 0.2108660 -0.2108660 -0.0000000), wk = 0.0029940 k( 224) = ( 0.2030562 -0.2030562 -0.0000000), wk = 0.0029940 k( 225) = ( 0.1952463 -0.1952463 -0.0000000), wk = 0.0029940 k( 226) = ( 0.1874365 -0.1874365 0.0000000), wk = 0.0029940 k( 227) = ( 0.1796266 -0.1796266 0.0000000), wk = 0.0029940 k( 228) = ( 0.1718167 -0.1718168 -0.0000000), wk = 0.0029940 k( 229) = ( 0.1640069 -0.1640069 -0.0000000), wk = 0.0029940 k( 230) = ( 0.1561971 -0.1561971 -0.0000000), wk = 0.0029940 k( 231) = ( 0.1483872 -0.1483872 -0.0000000), wk = 0.0029940 k( 232) = ( 0.1405773 -0.1405773 -0.0000000), wk = 0.0029940 k( 233) = ( 0.1327675 -0.1327675 -0.0000000), wk = 0.0029940 k( 234) = ( 0.1249576 -0.1249576 -0.0000000), wk = 0.0029940 k( 235) = ( 0.1171478 -0.1171478 -0.0000000), wk = 0.0029940 k( 236) = ( 0.1093379 -0.1093379 -0.0000000), wk = 0.0029940 k( 237) = ( 0.1015281 -0.1015281 -0.0000000), wk = 0.0029940 k( 238) = ( 0.0937182 -0.0937182 0.0000000), wk = 0.0029940 k( 239) = ( 0.0859084 -0.0859084 -0.0000000), wk = 0.0029940 k( 240) = ( 0.0780985 -0.0780985 -0.0000000), wk = 0.0029940 k( 241) = ( 0.0702887 -0.0702887 -0.0000000), wk = 0.0029940 k( 242) = ( 0.0624788 -0.0624788 -0.0000000), wk = 0.0029940 k( 243) = ( 0.0546690 -0.0546690 0.0000000), wk = 0.0029940 k( 244) = ( 0.0468591 -0.0468591 0.0000000), wk = 0.0029940 k( 245) = ( 0.0390493 -0.0390493 -0.0000000), wk = 0.0029940 k( 246) = ( 0.0312394 -0.0312394 -0.0000000), wk = 0.0029940 k( 247) = ( 0.0234296 -0.0234296 -0.0000000), wk = 0.0029940 k( 248) = ( 0.0156197 -0.0156197 0.0000000), wk = 0.0029940 k( 249) = ( 0.0078099 -0.0078099 0.0000000), wk = 0.0029940 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 251) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 252) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0029940 k( 253) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0029940 k( 254) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0029940 k( 255) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0029940 k( 256) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0029940 k( 257) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0029940 k( 258) = ( 0.0897436 -0.0000000 0.0000000), wk = 0.0029940 k( 259) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0029940 k( 260) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0029940 k( 261) = ( 0.1282051 -0.0000000 0.0000000), wk = 0.0029940 k( 262) = ( 0.1410256 -0.0000000 0.0000000), wk = 0.0029940 k( 263) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0029940 k( 264) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0029940 k( 265) = ( 0.1794872 -0.0000000 0.0000000), wk = 0.0029940 k( 266) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0029940 k( 267) = ( 0.2051282 -0.0000000 0.0000000), wk = 0.0029940 k( 268) = ( 0.2179487 0.0000000 -0.0000000), wk = 0.0029940 k( 269) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0029940 k( 270) = ( 0.2435897 0.0000000 -0.0000000), wk = 0.0029940 k( 271) = ( 0.2564103 -0.0000000 0.0000000), wk = 0.0029940 k( 272) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0029940 k( 273) = ( 0.2820513 -0.0000000 0.0000000), wk = 0.0029940 k( 274) = ( 0.2948718 -0.0000000 0.0000000), wk = 0.0029940 k( 275) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0029940 k( 276) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0029940 k( 277) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0029940 k( 278) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0029940 k( 279) = ( 0.3589744 -0.0000000 0.0000000), wk = 0.0029940 k( 280) = ( 0.3717949 -0.0000000 0.0000000), wk = 0.0029940 k( 281) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0029940 k( 282) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0029940 k( 283) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0029940 k( 284) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0029940 k( 285) = ( 0.4358974 0.0000000 -0.0000000), wk = 0.0029940 k( 286) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0029940 k( 287) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0029940 k( 288) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0029940 k( 289) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0029940 k( 290) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029940 k( 291) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029940 k( 292) = ( 0.4883721 0.0000000 0.4883721), wk = 0.0029940 k( 293) = ( 0.4767442 0.0000000 0.4767442), wk = 0.0029940 k( 294) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0029940 k( 295) = ( 0.4534884 -0.0000000 0.4534884), wk = 0.0029940 k( 296) = ( 0.4418605 0.0000000 0.4418605), wk = 0.0029940 k( 297) = ( 0.4302326 -0.0000000 0.4302326), wk = 0.0029940 k( 298) = ( 0.4186047 -0.0000000 0.4186047), wk = 0.0029940 k( 299) = ( 0.4069767 0.0000000 0.4069767), wk = 0.0029940 k( 300) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0029940 k( 301) = ( 0.3837209 -0.0000000 0.3837209), wk = 0.0029940 k( 302) = ( 0.3720930 0.0000000 0.3720930), wk = 0.0029940 k( 303) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0029940 k( 304) = ( 0.3488372 -0.0000000 0.3488372), wk = 0.0029940 k( 305) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0029940 k( 306) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0029940 k( 307) = ( 0.3139535 -0.0000000 0.3139535), wk = 0.0029940 k( 308) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0029940 k( 309) = ( 0.2906977 -0.0000000 0.2906977), wk = 0.0029940 k( 310) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0029940 k( 311) = ( 0.2674419 -0.0000000 0.2674419), wk = 0.0029940 k( 312) = ( 0.2558140 -0.0000000 0.2558140), wk = 0.0029940 k( 313) = ( 0.2441860 0.0000000 0.2441860), wk = 0.0029940 k( 314) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0029940 k( 315) = ( 0.2209302 -0.0000000 0.2209302), wk = 0.0029940 k( 316) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0029940 k( 317) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0029940 k( 318) = ( 0.1860465 0.0000000 0.1860465), wk = 0.0029940 k( 319) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0029940 k( 320) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0029940 k( 321) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0029940 k( 322) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0029940 k( 323) = ( 0.1279070 -0.0000000 0.1279070), wk = 0.0029940 k( 324) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0029940 k( 325) = ( 0.1046512 0.0000000 0.1046512), wk = 0.0029940 k( 326) = ( 0.0930233 0.0000000 0.0930233), wk = 0.0029940 k( 327) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0029940 k( 328) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0029940 k( 329) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0029940 k( 330) = ( 0.0465116 0.0000000 0.0465116), wk = 0.0029940 k( 331) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0029940 k( 332) = ( 0.0232558 0.0000000 0.0232558), wk = 0.0029940 k( 333) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0029940 k( 334) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 Dense grid: 74417 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32691 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 190, 60) NL pseudopotentials 0.21 Mb ( 95, 142) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1553) G-vector shells 0.01 Mb ( 1516) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 190, 240) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 0.26 Mb ( 142, 2, 60) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BixBO2x3.save/charge-density.dat negative rho (up, down): 6.038E-05 0.000E+00 Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 42.5 secs Computing kpt #: 3 total cpu time spent up to now is 45.5 secs Computing kpt #: 4 total cpu time spent up to now is 48.3 secs Computing kpt #: 5 total cpu time spent up to now is 51.1 secs Computing kpt #: 6 total cpu time spent up to now is 53.9 secs Computing kpt #: 7 total cpu time spent up to now is 56.8 secs Computing kpt #: 8 total cpu time spent up to now is 59.8 secs Computing kpt #: 9 total cpu time spent up to now is 62.8 secs Computing kpt #: 10 total cpu time spent up to now is 65.8 secs Computing kpt #: 11 total cpu time spent up to now is 68.9 secs Computing kpt #: 12 total cpu time spent up to now is 71.9 secs Computing kpt #: 13 total cpu time spent up to now is 74.9 secs Computing kpt #: 14 total cpu time spent up to now is 77.9 secs Computing kpt #: 15 total cpu time spent up to now is 81.0 secs Computing kpt #: 16 total cpu time spent up to now is 84.0 secs Computing kpt #: 17 total cpu time spent up to now is 87.0 secs Computing kpt #: 18 total cpu time spent up to now is 89.9 secs Computing kpt #: 19 total cpu time spent up to now is 92.9 secs Computing kpt #: 20 total cpu time spent up to now is 95.9 secs Computing kpt #: 21 total cpu time spent up to now is 98.9 secs Computing kpt #: 22 total cpu time spent up to now is 101.9 secs Computing kpt #: 23 total cpu time spent up to now is 105.4 secs Computing kpt #: 24 total cpu time spent up to now is 109.9 secs Computing kpt #: 25 total cpu time spent up to now is 116.8 secs Computing kpt #: 26 total cpu time spent up to now is 120.1 secs Computing kpt #: 27 total cpu time spent up to now is 123.4 secs Computing kpt #: 28 total cpu time spent up to now is 126.2 secs Computing kpt #: 29 total cpu time spent up to now is 129.2 secs Computing kpt #: 30 total cpu time spent up to now is 132.1 secs Computing kpt #: 31 total cpu time spent up to now is 134.9 secs Computing kpt #: 32 total cpu time spent up to now is 137.5 secs Computing kpt #: 33 total cpu time spent up to now is 139.9 secs Computing kpt #: 34 total cpu time spent up to now is 142.5 secs Computing kpt #: 35 total cpu time spent up to now is 145.2 secs Computing kpt #: 36 total cpu time spent up to now is 147.7 secs Computing kpt #: 37 total cpu time spent up to now is 150.1 secs Computing kpt #: 38 total cpu time spent up to now is 152.7 secs Computing kpt #: 39 total cpu time spent up to now is 155.1 secs Computing kpt #: 40 total cpu time spent up to now is 157.4 secs Computing kpt #: 41 total cpu time spent up to now is 159.8 secs Computing kpt #: 42 total cpu time spent up to now is 162.1 secs Computing kpt #: 43 total cpu time spent up to now is 164.4 secs Computing kpt #: 44 total cpu time spent up to now is 166.8 secs Computing kpt #: 45 total cpu time spent up to now is 169.3 secs Computing kpt #: 46 total cpu time spent up to now is 171.7 secs Computing kpt #: 47 total cpu time spent up to now is 174.0 secs Computing kpt #: 48 total cpu time spent up to now is 176.5 secs Computing kpt #: 49 total cpu time spent up to now is 178.9 secs Computing kpt #: 50 total cpu time spent up to now is 181.4 secs Computing kpt #: 51 total cpu time spent up to now is 183.7 secs Computing kpt #: 52 total cpu time spent up to now is 186.1 secs Computing kpt #: 53 total cpu time spent up to now is 188.4 secs Computing kpt #: 54 total cpu time spent up to now is 190.9 secs Computing kpt #: 55 total cpu time spent up to now is 193.2 secs Computing kpt #: 56 total cpu time spent up to now is 195.6 secs Computing kpt #: 57 total cpu time spent up to now is 198.0 secs Computing kpt #: 58 total cpu time spent up to now is 200.5 secs Computing kpt #: 59 total cpu time spent up to now is 203.9 secs Computing kpt #: 60 total cpu time spent up to now is 207.2 secs Computing kpt #: 61 total cpu time spent up to now is 209.9 secs Computing kpt #: 62 total cpu time spent up to now is 212.5 secs Computing kpt #: 63 total cpu time spent up to now is 215.1 secs Computing kpt #: 64 total cpu time spent up to now is 217.6 secs Computing kpt #: 65 total cpu time spent up to now is 220.3 secs Computing kpt #: 66 total cpu time spent up to now is 222.8 secs Computing kpt #: 67 total cpu time spent up to now is 225.3 secs Computing kpt #: 68 total cpu time spent up to now is 227.7 secs Computing kpt #: 69 total cpu time spent up to now is 230.3 secs Computing kpt #: 70 total cpu time spent up to now is 232.6 secs Computing kpt #: 71 total cpu time spent up to now is 235.7 secs Computing kpt #: 72 total cpu time spent up to now is 238.4 secs Computing kpt #: 73 total cpu time spent up to now is 241.1 secs Computing kpt #: 74 total cpu time spent up to now is 243.4 secs Computing kpt #: 75 total cpu time spent up to now is 246.3 secs Computing kpt #: 76 total cpu time spent up to now is 248.8 secs Computing kpt #: 77 total cpu time spent up to now is 251.2 secs Computing kpt #: 78 total cpu time spent up to now is 253.7 secs Computing kpt #: 79 total cpu time spent up to now is 256.1 secs Computing kpt #: 80 total cpu time spent up to now is 258.5 secs Computing kpt #: 81 total cpu time spent up to now is 261.0 secs Computing kpt #: 82 total cpu time spent up to now is 263.3 secs Computing kpt #: 83 total cpu time spent up to now is 265.8 secs Computing kpt #: 84 total cpu time spent up to now is 268.2 secs Computing kpt #: 85 total cpu time spent up to now is 270.6 secs Computing kpt #: 86 total cpu time spent up to now is 273.0 secs Computing kpt #: 87 total cpu time spent up to now is 275.4 secs Computing kpt #: 88 total cpu time spent up to now is 277.8 secs Computing kpt #: 89 total cpu time spent up to now is 280.1 secs Computing kpt #: 90 total cpu time spent up to now is 282.3 secs Computing kpt #: 91 total cpu time spent up to now is 284.6 secs Computing kpt #: 92 total cpu time spent up to now is 286.9 secs Computing kpt #: 93 total cpu time spent up to now is 289.2 secs Computing kpt #: 94 total cpu time spent up to now is 291.4 secs Computing kpt #: 95 total cpu time spent up to now is 293.6 secs Computing kpt #: 96 total cpu time spent up to now is 295.8 secs Computing kpt #: 97 total cpu time spent up to now is 297.9 secs Computing kpt #: 98 total cpu time spent up to now is 300.1 secs Computing kpt #: 99 total cpu time spent up to now is 302.4 secs Computing kpt #: 100 total cpu time spent up to now is 304.6 secs Computing kpt #: 101 total cpu time spent up to now is 307.0 secs Computing kpt #: 102 total cpu time spent up to now is 309.2 secs Computing kpt #: 103 total cpu time spent up to now is 311.4 secs Computing kpt #: 104 total cpu time spent up to now is 313.6 secs Computing kpt #: 105 total cpu time spent up to now is 315.8 secs Computing kpt #: 106 total cpu time spent up to now is 318.0 secs Computing kpt #: 107 total cpu time spent up to now is 320.1 secs Computing kpt #: 108 total cpu time spent up to now is 322.3 secs Computing kpt #: 109 total cpu time spent up to now is 324.5 secs Computing kpt #: 110 total cpu time spent up to now is 326.6 secs Computing kpt #: 111 total cpu time spent up to now is 328.8 secs Computing kpt #: 112 total cpu time spent up to now is 331.1 secs Computing kpt #: 113 total cpu time spent up to now is 333.3 secs Computing kpt #: 114 total cpu time spent up to now is 335.4 secs Computing kpt #: 115 total cpu time spent up to now is 337.7 secs Computing kpt #: 116 total cpu time spent up to now is 339.9 secs Computing kpt #: 117 total cpu time spent up to now is 342.1 secs Computing kpt #: 118 total cpu time spent up to now is 344.4 secs Computing kpt #: 119 total cpu time spent up to now is 346.6 secs Computing kpt #: 120 total cpu time spent up to now is 349.0 secs Computing kpt #: 121 total cpu time spent up to now is 351.6 secs Computing kpt #: 122 total cpu time spent up to now is 353.8 secs Computing kpt #: 123 total cpu time spent up to now is 356.8 secs Computing kpt #: 124 total cpu time spent up to now is 359.4 secs Computing kpt #: 125 total cpu time spent up to now is 361.8 secs Computing kpt #: 126 total cpu time spent up to now is 364.3 secs Computing kpt #: 127 total cpu time spent up to now is 366.8 secs Computing kpt #: 128 total cpu time spent up to now is 369.7 secs Computing kpt #: 129 total cpu time spent up to now is 372.3 secs Computing kpt #: 130 total cpu time spent up to now is 374.9 secs Computing kpt #: 131 total cpu time spent up to now is 377.6 secs Computing kpt #: 132 total cpu time spent up to now is 380.3 secs Computing kpt #: 133 total cpu time spent up to now is 383.0 secs Computing kpt #: 134 total cpu time spent up to now is 385.7 secs Computing kpt #: 135 total cpu time spent up to now is 388.5 secs Computing kpt #: 136 total cpu time spent up to now is 391.2 secs Computing kpt #: 137 total cpu time spent up to now is 394.0 secs Computing kpt #: 138 total cpu time spent up to now is 397.0 secs Computing kpt #: 139 total cpu time spent up to now is 399.9 secs Computing kpt #: 140 total cpu time spent up to now is 402.7 secs Computing kpt #: 141 total cpu time spent up to now is 405.5 secs Computing kpt #: 142 total cpu time spent up to now is 408.3 secs Computing kpt #: 143 total cpu time spent up to now is 411.1 secs Computing kpt #: 144 total cpu time spent up to now is 414.0 secs Computing kpt #: 145 total cpu time spent up to now is 416.9 secs Computing kpt #: 146 total cpu time spent up to now is 419.7 secs Computing kpt #: 147 total cpu time spent up to now is 422.6 secs Computing kpt #: 148 total cpu time spent up to now is 425.5 secs Computing kpt #: 149 total cpu time spent up to now is 428.4 secs Computing kpt #: 150 total cpu time spent up to now is 431.3 secs Computing kpt #: 151 total cpu time spent up to now is 434.3 secs Computing kpt #: 152 total cpu time spent up to now is 437.2 secs Computing kpt #: 153 total cpu time spent up to now is 440.2 secs Computing kpt #: 154 total cpu time spent up to now is 443.1 secs Computing kpt #: 155 total cpu time spent up to now is 446.0 secs Computing kpt #: 156 total cpu time spent up to now is 448.9 secs Computing kpt #: 157 total cpu time spent up to now is 452.0 secs Computing kpt #: 158 total cpu time spent up to now is 455.0 secs Computing kpt #: 159 total cpu time spent up to now is 457.9 secs Computing kpt #: 160 total cpu time spent up to now is 460.8 secs Computing kpt #: 161 total cpu time spent up to now is 463.7 secs Computing kpt #: 162 total cpu time spent up to now is 466.6 secs Computing kpt #: 163 total cpu time spent up to now is 469.8 secs Computing kpt #: 164 total cpu time spent up to now is 472.9 secs Computing kpt #: 165 total cpu time spent up to now is 475.8 secs Computing kpt #: 166 total cpu time spent up to now is 478.8 secs Computing kpt #: 167 total cpu time spent up to now is 481.7 secs Computing kpt #: 168 total cpu time spent up to now is 484.7 secs Computing kpt #: 169 total cpu time spent up to now is 487.6 secs Computing kpt #: 170 total cpu time spent up to now is 490.6 secs Computing kpt #: 171 total cpu time spent up to now is 493.5 secs Computing kpt #: 172 total cpu time spent up to now is 496.2 secs Computing kpt #: 173 total cpu time spent up to now is 499.0 secs Computing kpt #: 174 total cpu time spent up to now is 502.1 secs Computing kpt #: 175 total cpu time spent up to now is 506.0 secs Computing kpt #: 176 total cpu time spent up to now is 509.3 secs Computing kpt #: 177 total cpu time spent up to now is 512.0 secs Computing kpt #: 178 total cpu time spent up to now is 514.6 secs Computing kpt #: 179 total cpu time spent up to now is 517.2 secs Computing kpt #: 180 total cpu time spent up to now is 519.8 secs Computing kpt #: 181 total cpu time spent up to now is 522.5 secs Computing kpt #: 182 total cpu time spent up to now is 525.0 secs Computing kpt #: 183 total cpu time spent up to now is 527.5 secs Computing kpt #: 184 total cpu time spent up to now is 530.1 secs Computing kpt #: 185 total cpu time spent up to now is 532.4 secs Computing kpt #: 186 total cpu time spent up to now is 534.7 secs Computing kpt #: 187 total cpu time spent up to now is 537.1 secs Computing kpt #: 188 total cpu time spent up to now is 539.5 secs Computing kpt #: 189 total cpu time spent up to now is 542.0 secs Computing kpt #: 190 total cpu time spent up to now is 544.3 secs Computing kpt #: 191 total cpu time spent up to now is 546.8 secs Computing kpt #: 192 total cpu time spent up to now is 549.2 secs Computing kpt #: 193 total cpu time spent up to now is 551.5 secs Computing kpt #: 194 total cpu time spent up to now is 554.0 secs Computing kpt #: 195 total cpu time spent up to now is 556.5 secs Computing kpt #: 196 total cpu time spent up to now is 558.8 secs Computing kpt #: 197 total cpu time spent up to now is 561.2 secs Computing kpt #: 198 total cpu time spent up to now is 563.4 secs Computing kpt #: 199 total cpu time spent up to now is 565.6 secs Computing kpt #: 200 total cpu time spent up to now is 567.8 secs Computing kpt #: 201 total cpu time spent up to now is 570.0 secs Computing kpt #: 202 total cpu time spent up to now is 572.2 secs Computing kpt #: 203 total cpu time spent up to now is 574.5 secs Computing kpt #: 204 total cpu time spent up to now is 576.8 secs Computing kpt #: 205 total cpu time spent up to now is 579.0 secs Computing kpt #: 206 total cpu time spent up to now is 581.2 secs Computing kpt #: 207 total cpu time spent up to now is 583.8 secs Computing kpt #: 208 total cpu time spent up to now is 586.0 secs Computing kpt #: 209 total cpu time spent up to now is 588.2 secs Computing kpt #: 210 total cpu time spent up to now is 590.8 secs Computing kpt #: 211 total cpu time spent up to now is 593.0 secs Computing kpt #: 212 total cpu time spent up to now is 595.3 secs Computing kpt #: 213 total cpu time spent up to now is 597.5 secs Computing kpt #: 214 total cpu time spent up to now is 599.7 secs Computing kpt #: 215 total cpu time spent up to now is 602.0 secs Computing kpt #: 216 total cpu time spent up to now is 604.2 secs Computing kpt #: 217 total cpu time spent up to now is 606.6 secs Computing kpt #: 218 total cpu time spent up to now is 608.9 secs Computing kpt #: 219 total cpu time spent up to now is 611.2 secs Computing kpt #: 220 total cpu time spent up to now is 613.5 secs Computing kpt #: 221 total cpu time spent up to now is 615.8 secs Computing kpt #: 222 total cpu time spent up to now is 618.1 secs Computing kpt #: 223 total cpu time spent up to now is 620.5 secs Computing kpt #: 224 total cpu time spent up to now is 622.8 secs Computing kpt #: 225 total cpu time spent up to now is 625.3 secs Computing kpt #: 226 total cpu time spent up to now is 627.7 secs Computing kpt #: 227 total cpu time spent up to now is 630.2 secs Computing kpt #: 228 total cpu time spent up to now is 632.7 secs Computing kpt #: 229 total cpu time spent up to now is 635.2 secs Computing kpt #: 230 total cpu time spent up to now is 637.8 secs Computing kpt #: 231 total cpu time spent up to now is 640.4 secs Computing kpt #: 232 total cpu time spent up to now is 643.0 secs Computing kpt #: 233 total cpu time spent up to now is 645.7 secs Computing kpt #: 234 total cpu time spent up to now is 648.4 secs Computing kpt #: 235 total cpu time spent up to now is 651.0 secs Computing kpt #: 236 total cpu time spent up to now is 653.7 secs Computing kpt #: 237 total cpu time spent up to now is 656.4 secs Computing kpt #: 238 total cpu time spent up to now is 659.1 secs Computing kpt #: 239 total cpu time spent up to now is 661.8 secs Computing kpt #: 240 total cpu time spent up to now is 664.5 secs Computing kpt #: 241 total cpu time spent up to now is 667.3 secs Computing kpt #: 242 total cpu time spent up to now is 670.0 secs Computing kpt #: 243 total cpu time spent up to now is 672.8 secs Computing kpt #: 244 total cpu time spent up to now is 675.5 secs Computing kpt #: 245 total cpu time spent up to now is 678.3 secs Computing kpt #: 246 total cpu time spent up to now is 681.1 secs Computing kpt #: 247 total cpu time spent up to now is 683.8 secs Computing kpt #: 248 total cpu time spent up to now is 686.6 secs Computing kpt #: 249 total cpu time spent up to now is 689.4 secs Computing kpt #: 250 total cpu time spent up to now is 692.1 secs Computing kpt #: 251 total cpu time spent up to now is 694.8 secs Computing kpt #: 252 total cpu time spent up to now is 697.9 secs Computing kpt #: 253 total cpu time spent up to now is 700.7 secs Computing kpt #: 254 total cpu time spent up to now is 703.4 secs Computing kpt #: 255 total cpu time spent up to now is 706.3 secs Computing kpt #: 256 total cpu time spent up to now is 709.6 secs Computing kpt #: 257 total cpu time spent up to now is 712.5 secs Computing kpt #: 258 total cpu time spent up to now is 715.3 secs Computing kpt #: 259 total cpu time spent up to now is 718.2 secs Computing kpt #: 260 total cpu time spent up to now is 721.0 secs Computing kpt #: 261 total cpu time spent up to now is 723.9 secs Computing kpt #: 262 total cpu time spent up to now is 726.7 secs Computing kpt #: 263 total cpu time spent up to now is 729.5 secs Computing kpt #: 264 total cpu time spent up to now is 732.2 secs Computing kpt #: 265 total cpu time spent up to now is 735.0 secs Computing kpt #: 266 total cpu time spent up to now is 737.8 secs Computing kpt #: 267 total cpu time spent up to now is 740.5 secs Computing kpt #: 268 total cpu time spent up to now is 743.2 secs Computing kpt #: 269 total cpu time spent up to now is 746.1 secs Computing kpt #: 270 total cpu time spent up to now is 749.0 secs Computing kpt #: 271 total cpu time spent up to now is 751.7 secs Computing kpt #: 272 total cpu time spent up to now is 754.3 secs Computing kpt #: 273 total cpu time spent up to now is 756.9 secs Computing kpt #: 274 total cpu time spent up to now is 759.5 secs Computing kpt #: 275 total cpu time spent up to now is 762.1 secs Computing kpt #: 276 total cpu time spent up to now is 764.9 secs Computing kpt #: 277 total cpu time spent up to now is 767.5 secs Computing kpt #: 278 total cpu time spent up to now is 770.1 secs Computing kpt #: 279 total cpu time spent up to now is 772.6 secs Computing kpt #: 280 total cpu time spent up to now is 775.2 secs Computing kpt #: 281 total cpu time spent up to now is 777.7 secs Computing kpt #: 282 total cpu time spent up to now is 780.3 secs Computing kpt #: 283 total cpu time spent up to now is 782.8 secs Computing kpt #: 284 total cpu time spent up to now is 785.3 secs Computing kpt #: 285 total cpu time spent up to now is 787.8 secs Computing kpt #: 286 total cpu time spent up to now is 790.3 secs Computing kpt #: 287 total cpu time spent up to now is 792.9 secs Computing kpt #: 288 total cpu time spent up to now is 795.3 secs Computing kpt #: 289 total cpu time spent up to now is 797.7 secs Computing kpt #: 290 total cpu time spent up to now is 800.2 secs Computing kpt #: 291 total cpu time spent up to now is 803.5 secs Computing kpt #: 292 total cpu time spent up to now is 807.1 secs Computing kpt #: 293 total cpu time spent up to now is 809.4 secs Computing kpt #: 294 total cpu time spent up to now is 811.6 secs Computing kpt #: 295 total cpu time spent up to now is 814.2 secs Computing kpt #: 296 total cpu time spent up to now is 816.7 secs Computing kpt #: 297 total cpu time spent up to now is 819.0 secs Computing kpt #: 298 total cpu time spent up to now is 821.4 secs Computing kpt #: 299 total cpu time spent up to now is 824.1 secs Computing kpt #: 300 total cpu time spent up to now is 826.5 secs Computing kpt #: 301 total cpu time spent up to now is 828.9 secs Computing kpt #: 302 total cpu time spent up to now is 831.4 secs Computing kpt #: 303 total cpu time spent up to now is 833.9 secs Computing kpt #: 304 total cpu time spent up to now is 836.4 secs Computing kpt #: 305 total cpu time spent up to now is 839.0 secs Computing kpt #: 306 total cpu time spent up to now is 841.5 secs Computing kpt #: 307 total cpu time spent up to now is 844.1 secs Computing kpt #: 308 total cpu time spent up to now is 846.8 secs Computing kpt #: 309 total cpu time spent up to now is 849.6 secs Computing kpt #: 310 total cpu time spent up to now is 852.2 secs Computing kpt #: 311 total cpu time spent up to now is 854.9 secs Computing kpt #: 312 total cpu time spent up to now is 857.6 secs Computing kpt #: 313 total cpu time spent up to now is 860.3 secs Computing kpt #: 314 total cpu time spent up to now is 863.0 secs Computing kpt #: 315 total cpu time spent up to now is 865.9 secs Computing kpt #: 316 total cpu time spent up to now is 868.9 secs Computing kpt #: 317 total cpu time spent up to now is 871.7 secs Computing kpt #: 318 total cpu time spent up to now is 874.6 secs Computing kpt #: 319 total cpu time spent up to now is 877.3 secs Computing kpt #: 320 total cpu time spent up to now is 880.2 secs Computing kpt #: 321 total cpu time spent up to now is 883.0 secs Computing kpt #: 322 total cpu time spent up to now is 885.7 secs Computing kpt #: 323 total cpu time spent up to now is 888.5 secs Computing kpt #: 324 total cpu time spent up to now is 891.5 secs Computing kpt #: 325 total cpu time spent up to now is 894.2 secs Computing kpt #: 326 total cpu time spent up to now is 897.0 secs Computing kpt #: 327 total cpu time spent up to now is 899.7 secs Computing kpt #: 328 total cpu time spent up to now is 902.5 secs Computing kpt #: 329 total cpu time spent up to now is 905.3 secs Computing kpt #: 330 total cpu time spent up to now is 908.1 secs Computing kpt #: 331 total cpu time spent up to now is 910.8 secs Computing kpt #: 332 total cpu time spent up to now is 913.7 secs Computing kpt #: 333 total cpu time spent up to now is 916.5 secs Computing kpt #: 334 total cpu time spent up to now is 919.7 secs ethr = 2.00E-11, avg # of iterations = 36.0 total cpu time spent up to now is 919.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4079 PWs) bands (ev): -16.4247 -16.4247 -15.0540 -15.0540 -14.4189 -14.4189 -13.8390 -13.8390 -13.7518 -13.7518 -13.3616 -13.3616 -5.3013 -5.3013 -4.5653 -4.5653 -3.5277 -3.5277 -2.8156 -2.8156 -2.7624 -2.7624 -1.2089 -1.2089 -0.3080 -0.3080 0.0393 0.0393 0.2844 0.2844 1.1364 1.1364 1.4718 1.4718 1.8715 1.8715 2.1961 2.1961 2.2936 2.2936 2.4216 2.4216 2.7793 2.7793 2.9218 2.9218 3.1592 3.1592 3.3116 3.3116 8.2141 8.2141 9.9189 9.9189 10.4759 10.4759 10.9040 10.9040 12.2011 12.2011 k = 0.0109 0.0076-0.0037 ( 4088 PWs) bands (ev): -16.4241 -16.4240 -15.0543 -15.0537 -14.4191 -14.4184 -13.8399 -13.8397 -13.7521 -13.7512 -13.3626 -13.3616 -5.3012 -5.3007 -4.5681 -4.5679 -3.5269 -3.5262 -2.8199 -2.8073 -2.7658 -2.7559 -1.2151 -1.2036 -0.3106 -0.3084 0.0219 0.0539 0.2784 0.2922 1.1285 1.1444 1.4554 1.4886 1.8591 1.8652 2.1961 2.2098 2.2945 2.2984 2.4217 2.4226 2.7783 2.7792 2.9222 2.9228 3.1588 3.1591 3.3111 3.3113 8.2010 8.2267 9.9065 9.9299 10.4608 10.4890 10.8909 10.9223 12.1929 12.2109 k = 0.0217 0.0153-0.0074 ( 4082 PWs) bands (ev): -16.4225 -16.4221 -15.0544 -15.0533 -14.4191 -14.4176 -13.8422 -13.8419 -13.7521 -13.7505 -13.3646 -13.3625 -5.3005 -5.2994 -4.5761 -4.5757 -3.5236 -3.5223 -2.8206 -2.7957 -2.7657 -2.7463 -1.2222 -1.1992 -0.3166 -0.3117 0.0034 0.0646 0.2751 0.3008 1.1210 1.1520 1.4399 1.5050 1.8320 1.8416 2.2092 2.2308 2.3004 2.3105 2.4233 2.4254 2.7762 2.7779 2.9240 2.9252 3.1579 3.1585 3.3099 3.3105 8.1873 8.2387 9.8930 9.9397 10.4456 10.4982 10.8846 10.9445 12.1861 12.2220 k = 0.0326 0.0229-0.0111 ( 4076 PWs) bands (ev): -16.4196 -16.4191 -15.0545 -15.0528 -14.4187 -14.4166 -13.8460 -13.8456 -13.7520 -13.7496 -13.3676 -13.3645 -5.2992 -5.2975 -4.5891 -4.5884 -3.5181 -3.5161 -2.8182 -2.7836 -2.7595 -2.7330 -1.2300 -1.1958 -0.3265 -0.3177 -0.0150 0.0705 0.2749 0.3093 1.1139 1.1586 1.4258 1.5206 1.7951 1.8075 2.2289 2.2508 2.3113 2.3305 2.4274 2.4319 2.7730 2.7756 2.9271 2.9289 3.1565 3.1573 3.3081 3.3089 8.1733 8.2500 9.8781 9.9483 10.4318 10.5019 10.8863 10.9695 12.1810 12.2344 k = 0.0435 0.0305-0.0148 ( 4076 PWs) bands (ev): -16.4155 -16.4149 -15.0545 -15.0522 -14.4181 -14.4152 -13.8513 -13.8508 -13.7517 -13.7486 -13.3715 -13.3673 -5.2976 -5.2952 -4.6064 -4.6054 -3.5103 -3.5076 -2.8133 -2.7757 -2.7428 -2.7159 -1.2385 -1.1932 -0.3405 -0.3264 -0.0321 0.0716 0.2778 0.3171 1.1074 1.1634 1.4136 1.5344 1.7508 1.7709 2.2488 2.2668 2.3264 2.3523 2.4360 2.4471 2.7688 2.7722 2.9314 2.9339 3.1545 3.1557 3.3057 3.3067 8.1589 8.2606 9.8621 9.9556 10.4206 10.4992 10.8966 10.9964 12.1775 12.2480 k = 0.0543 0.0381-0.0185 ( 4076 PWs) bands (ev): -16.4103 -16.4096 -15.0544 -15.0516 -14.4173 -14.4137 -13.8578 -13.8573 -13.7513 -13.7475 -13.3764 -13.3712 -5.2958 -5.2927 -4.6274 -4.6261 -3.5003 -3.4971 -2.8066 -2.7702 -2.7178 -2.6947 -1.2477 -1.1915 -0.3589 -0.3377 -0.0471 0.0686 0.2827 0.3236 1.1012 1.1653 1.4035 1.5449 1.7020 1.7376 2.2660 2.2805 2.3415 2.3670 2.4523 2.4757 2.7638 2.7680 2.9369 2.9399 3.1520 3.1535 3.3028 3.3041 8.1442 8.2703 9.8447 9.9619 10.4128 10.4905 10.9148 11.0248 12.1757 12.2625 k = 0.0652 0.0458-0.0222 ( 4075 PWs) bands (ev): -16.4039 -16.4030 -15.0542 -15.0508 -14.4162 -14.4120 -13.8656 -13.8652 -13.7509 -13.7464 -13.3821 -13.3759 -5.2943 -5.2904 -4.6512 -4.6496 -3.4884 -3.4846 -2.7984 -2.7644 -2.6877 -2.6695 -1.2573 -1.1905 -0.3815 -0.3516 -0.0595 0.0627 0.2884 0.3283 1.0953 1.1633 1.3951 1.5498 1.6520 1.7120 2.2812 2.2934 2.3522 2.3735 2.4779 2.5154 2.7583 2.7632 2.9433 2.9469 3.1490 3.1507 3.2995 3.3010 8.1293 8.2792 9.8263 9.9672 10.4085 10.4771 10.9398 11.0541 12.1754 12.2777 k = 0.0761 0.0534-0.0259 ( 4081 PWs) bands (ev): -16.3964 -16.3953 -15.0539 -15.0500 -14.4150 -14.4102 -13.8745 -13.8742 -13.7505 -13.7454 -13.3886 -13.3815 -5.2936 -5.2887 -4.6768 -4.6747 -3.4747 -3.4703 -2.7891 -2.7577 -2.6537 -2.6404 -1.2673 -1.1902 -0.4081 -0.3682 -0.0692 0.0549 0.2938 0.3309 1.0891 1.1568 1.3869 1.5454 1.6057 1.6976 2.2954 2.3064 2.3576 2.3755 2.5106 2.5602 2.7526 2.7583 2.9505 2.9546 3.1454 3.1475 3.2959 3.2977 8.1143 8.2871 9.8069 9.9719 10.4074 10.4608 10.9700 11.0842 12.1768 12.2936 k = 0.0870 0.0610-0.0297 ( 4086 PWs) bands (ev): -16.3877 -16.3865 -15.0536 -15.0492 -14.4137 -14.4082 -13.8846 -13.8844 -13.7501 -13.7444 -13.3960 -13.3879 -5.2942 -5.2883 -4.7031 -4.7004 -3.4593 -3.4544 -2.7788 -2.7497 -2.6166 -2.6080 -1.2775 -1.1905 -0.4382 -0.3872 -0.0766 0.0461 0.2979 0.3313 1.0820 1.1458 1.3763 1.5225 1.5767 1.6946 2.3086 2.3194 2.3602 2.3761 2.5461 2.6051 2.7482 2.7542 2.9583 2.9628 3.1413 3.1437 3.2923 3.2944 8.0993 8.2941 9.7868 9.9762 10.4070 10.4455 11.0041 11.1148 12.1796 12.3098 k = 0.0978 0.0686-0.0334 ( 4086 PWs) bands (ev): -16.3778 -16.3765 -15.0531 -15.0482 -14.4124 -14.4063 -13.8958 -13.8957 -13.7497 -13.7434 -13.4040 -13.3950 -5.2969 -5.2898 -4.7287 -4.7253 -3.4425 -3.4371 -2.7674 -2.7404 -2.5771 -2.5727 -1.2878 -1.1912 -0.4709 -0.4085 -0.0822 0.0366 0.3002 0.3293 1.0725 1.1311 1.3613 1.4818 1.5709 1.7000 2.3196 2.3315 2.3629 2.3777 2.5803 2.6448 2.7479 2.7531 2.9664 2.9715 3.1365 3.1393 3.2890 3.2914 8.0843 8.3001 9.7662 9.9804 10.3998 10.4393 11.0410 11.1459 12.1839 12.3261 k = 0.1087 0.0763-0.0371 ( 4089 PWs) bands (ev): -16.3669 -16.3654 -15.0525 -15.0472 -14.4110 -14.4044 -13.9080 -13.9079 -13.7494 -13.7425 -13.4127 -13.4028 -5.3026 -5.2941 -4.7524 -4.7481 -3.4244 -3.4186 -2.7549 -2.7298 -2.5356 -2.5350 -1.2981 -1.1922 -0.5057 -0.4320 -0.0864 0.0269 0.3003 0.3251 1.0584 1.1141 1.3414 1.4392 1.5777 1.7100 2.3261 2.3401 2.3696 2.3833 2.6085 2.6701 2.7539 2.7637 2.9745 2.9803 3.1312 3.1344 3.2864 3.2890 8.0694 8.3050 9.7455 9.9849 10.3828 10.4458 11.0797 11.1773 12.1896 12.3424 k = 0.1196 0.0839-0.0408 ( 4089 PWs) bands (ev): -16.3547 -16.3531 -15.0518 -15.0461 -14.4098 -14.4027 -13.9212 -13.9210 -13.7492 -13.7417 -13.4220 -13.4113 -5.3122 -5.3023 -4.7727 -4.7675 -3.4052 -3.3991 -2.7414 -2.7178 -2.4954 -2.4927 -1.3083 -1.1933 -0.5419 -0.4574 -0.0898 0.0169 0.2983 0.3188 1.0372 1.0964 1.3180 1.4013 1.5925 1.7222 2.3272 2.3430 2.3819 2.3950 2.6263 2.6764 2.7662 2.7931 2.9825 2.9891 3.1253 3.1291 3.2849 3.2879 8.0546 8.3089 9.7249 9.9899 10.3621 10.4590 11.1196 11.2091 12.1966 12.3584 k = 0.1304 0.0915-0.0445 ( 4097 PWs) bands (ev): -16.3415 -16.3397 -15.0511 -15.0449 -14.4088 -14.4012 -13.9353 -13.9349 -13.7490 -13.7410 -13.4319 -13.4204 -5.3265 -5.3151 -4.7884 -4.7821 -3.3853 -3.3789 -2.7266 -2.7044 -2.4545 -2.4488 -1.3181 -1.1944 -0.5790 -0.4843 -0.0929 0.0065 0.2943 0.3107 1.0080 1.0772 1.2935 1.3707 1.6128 1.7352 2.3246 2.3422 2.3978 2.4115 2.6326 2.6716 2.7872 2.8306 2.9901 2.9978 3.1188 3.1233 3.2851 3.2885 8.0402 8.3117 9.7049 9.9955 10.3410 10.4760 11.1603 11.2411 12.2048 12.3740 k = 0.1413 0.0992-0.0482 ( 4091 PWs) bands (ev): -16.3271 -16.3252 -15.0502 -15.0437 -14.4081 -14.4000 -13.9501 -13.9495 -13.7489 -13.7403 -13.4422 -13.4299 -5.3460 -5.3332 -4.7984 -4.7912 -3.3647 -3.3582 -2.7106 -2.6895 -2.4125 -2.4044 -1.3276 -1.1954 -0.6164 -0.5125 -0.0964 -0.0045 0.2887 0.3013 0.9723 1.0541 1.2712 1.3477 1.6364 1.7478 2.3202 2.3398 2.4159 2.4304 2.6303 2.6626 2.8135 2.8682 2.9971 3.0066 3.1121 3.1174 3.2875 3.2916 8.0260 8.3134 9.6857 10.0019 10.3204 10.4955 11.2013 11.2734 12.2140 12.3889 k = 0.1522 0.1068-0.0519 ( 4086 PWs) bands (ev): -16.3116 -16.3096 -15.0492 -15.0424 -14.4078 -14.3994 -13.9655 -13.9648 -13.7488 -13.7397 -13.4528 -13.4399 -5.3707 -5.3568 -4.8022 -4.7942 -3.3439 -3.3372 -2.6933 -2.6732 -2.3701 -2.3598 -1.3365 -1.1959 -0.6538 -0.5415 -0.1006 -0.0165 0.2821 0.2911 0.9319 1.0247 1.2542 1.3310 1.6619 1.7596 2.3150 2.3367 2.4353 2.4499 2.6231 2.6521 2.8408 2.9019 3.0032 3.0157 3.1057 3.1118 3.2926 3.2978 8.0123 8.3141 9.6676 10.0089 10.3011 10.5171 11.2423 11.3060 12.2241 12.4031 k = 0.1630 0.1144-0.0556 ( 4087 PWs) bands (ev): -16.2951 -16.2930 -15.0482 -15.0410 -14.4081 -14.3995 -13.9814 -13.9806 -13.7488 -13.7392 -13.4638 -13.4502 -5.4006 -5.3856 -4.7998 -4.7912 -3.3230 -3.3163 -2.6747 -2.6554 -2.3275 -2.3155 -1.3449 -1.1961 -0.6907 -0.5710 -0.1062 -0.0298 0.2748 0.2808 0.8882 0.9887 1.2436 1.3190 1.6877 1.7698 2.3096 2.3335 2.4556 2.4682 2.6138 2.6421 2.8662 2.9288 3.0080 3.0250 3.1004 3.1078 3.3011 3.3079 7.9990 8.3138 9.6507 10.0166 10.2836 10.5403 11.2832 11.3387 12.2351 12.4163 k = 0.1739 0.1220-0.0593 ( 4084 PWs) bands (ev): -16.2775 -16.2752 -15.0471 -15.0396 -14.4092 -14.4004 -13.9976 -13.9967 -13.7489 -13.7387 -13.4749 -13.4607 -5.4349 -5.4192 -4.7915 -4.7825 -3.3023 -3.2956 -2.6548 -2.6362 -2.2851 -2.2718 -1.3524 -1.1955 -0.7268 -0.6006 -0.1137 -0.0447 0.2671 0.2716 0.8424 0.9476 1.2387 1.3104 1.7128 1.7781 2.3043 2.3303 2.4759 2.4830 2.6040 2.6349 2.8876 2.9473 3.0107 3.0325 3.0980 3.1079 3.3130 3.3224 7.9863 8.3125 9.6353 10.0246 10.2682 10.5645 11.3237 11.3717 12.2468 12.4286 k = 0.1848 0.1297-0.0630 ( 4092 PWs) bands (ev): -16.2588 -16.2564 -15.0459 -15.0382 -14.4113 -14.4023 -14.0138 -14.0129 -13.7491 -13.7383 -13.4862 -13.4715 -5.4730 -5.4567 -4.7779 -4.7687 -3.2821 -3.2755 -2.6337 -2.6157 -2.2433 -2.2291 -1.3592 -1.1943 -0.7616 -0.6299 -0.1234 -0.0613 0.2590 0.2646 0.7952 0.9030 1.2379 1.3043 1.7359 1.7842 2.2994 2.3271 2.4901 2.4967 2.5953 2.6336 2.9039 2.9581 3.0106 3.0344 3.0993 3.1154 3.3286 3.3416 7.9742 8.3103 9.6214 10.0325 10.2556 10.5896 11.3637 11.4048 12.2590 12.4398 k = 0.1957 0.1373-0.0667 ( 4085 PWs) bands (ev): -16.2391 -16.2366 -15.0446 -15.0367 -14.4145 -14.4056 -14.0298 -14.0290 -13.7493 -13.7380 -13.4976 -13.4823 -5.5138 -5.4972 -4.7595 -4.7502 -3.2626 -3.2561 -2.6115 -2.5940 -2.2023 -2.1875 -1.3649 -1.1921 -0.7948 -0.6585 -0.1359 -0.0797 0.2518 0.2598 0.7472 0.8563 1.2399 1.2999 1.7561 1.7878 2.2951 2.3237 2.4905 2.5124 2.5902 2.6407 2.9150 2.9633 3.0068 3.0301 3.1048 3.1299 3.3478 3.3652 7.9628 8.3072 9.6092 10.0399 10.2463 10.6153 11.4031 11.4380 12.2717 12.4500 k = 0.2065 0.1449-0.0704 ( 4090 PWs) bands (ev): -16.2183 -16.2158 -15.0434 -15.0353 -14.4192 -14.4105 -14.0454 -14.0447 -13.7497 -13.7378 -13.5088 -13.4932 -5.5569 -5.5401 -4.7372 -4.7279 -3.2439 -3.2376 -2.5883 -2.5713 -2.1624 -2.1475 -1.3696 -1.1889 -0.8261 -0.6860 -0.1511 -0.0999 0.2465 0.2569 0.6989 0.8085 1.2435 1.2968 1.7719 1.7893 2.2913 2.3197 2.4833 2.5204 2.5936 2.6552 2.9213 2.9649 2.9997 3.0217 3.1142 3.1480 3.3700 3.3928 7.9522 8.3034 9.5987 10.0460 10.2409 10.6411 11.4418 11.4712 12.2846 12.4590 k = 0.2174 0.1525-0.0741 ( 4094 PWs) bands (ev): -16.1966 -16.1939 -15.0421 -15.0338 -14.4255 -14.4172 -14.0603 -14.0597 -13.7502 -13.7378 -13.5199 -13.5040 -5.6014 -5.5845 -4.7114 -4.7021 -3.2264 -3.2200 -2.5646 -2.5479 -2.1238 -2.1093 -1.3731 -1.1846 -0.8549 -0.7120 -0.1693 -0.1217 0.2434 0.2560 0.6507 0.7603 1.2479 1.2943 1.7793 1.7918 2.2879 2.3143 2.4713 2.5192 2.6073 2.6747 2.9239 2.9645 2.9902 3.0114 3.1265 3.1669 3.3949 3.4236 7.9423 8.2988 9.5900 10.0503 10.2400 10.6669 11.4798 11.5045 12.2977 12.4670 k = 0.2283 0.1602-0.0778 ( 4092 PWs) bands (ev): -16.1739 -16.1711 -15.0408 -15.0324 -14.4338 -14.4260 -14.0741 -14.0737 -13.7510 -13.7380 -13.5308 -13.5145 -5.6468 -5.6298 -4.6825 -4.6734 -3.2101 -3.2036 -2.5406 -2.5241 -2.0868 -2.0730 -1.3752 -1.1791 -0.8810 -0.7362 -0.1901 -0.1448 0.2428 0.2571 0.6027 0.7122 1.2526 1.2921 1.7760 1.7969 2.2842 2.3069 2.4571 2.5130 2.6272 2.6966 2.9242 2.9631 2.9794 3.0007 3.1405 3.1858 3.4219 3.4566 7.9332 8.2936 9.5830 10.0521 10.2439 10.6924 11.5169 11.5377 12.3108 12.4738 k = 0.2391 0.1678-0.0815 ( 4094 PWs) bands (ev): -16.1502 -16.1474 -15.0395 -15.0310 -14.4442 -14.4370 -14.0869 -14.0863 -13.7520 -13.7385 -13.5412 -13.5248 -5.6926 -5.6757 -4.6510 -4.6421 -3.1952 -3.1884 -2.5170 -2.5006 -2.0515 -2.0386 -1.3757 -1.1724 -0.9038 -0.7582 -0.2131 -0.1689 0.2446 0.2602 0.5553 0.6644 1.2570 1.2899 1.7676 1.7990 2.2791 2.2967 2.4430 2.5059 2.6494 2.7192 2.9232 2.9608 2.9682 2.9910 3.1555 3.2045 3.4505 3.4910 7.9251 8.2878 9.5778 10.0516 10.2525 10.7173 11.5533 11.5708 12.3238 12.4796 k = 0.2500 0.1754-0.0852 ( 4103 PWs) bands (ev): -16.1256 -16.1227 -15.0383 -15.0298 -14.4570 -14.4506 -14.0984 -14.0972 -13.7533 -13.7394 -13.5512 -13.5347 -5.7384 -5.7217 -4.6173 -4.6086 -3.1816 -3.1743 -2.4943 -2.4778 -2.0178 -2.0062 -1.3746 -1.1644 -0.9231 -0.7776 -0.2377 -0.1938 0.2487 0.2651 0.5087 0.6171 1.2608 1.2875 1.7556 1.7963 2.2711 2.2830 2.4307 2.4999 2.6717 2.7413 2.9221 2.9561 2.9585 2.9842 3.1711 3.2230 3.4800 3.5261 7.9178 8.2814 9.5743 10.0488 10.2654 10.7415 11.5888 11.6036 12.3366 12.4842 k = 0.2609 0.1830-0.0890 ( 4103 PWs) bands (ev): -16.1000 -16.0971 -15.0372 -15.0286 -14.4720 -14.4666 -14.1083 -14.1065 -13.7551 -13.7408 -13.5605 -13.5441 -5.7839 -5.7674 -4.5816 -4.5731 -3.1693 -3.1614 -2.4732 -2.4567 -1.9858 -1.9757 -1.3715 -1.1550 -0.9385 -0.7942 -0.2636 -0.2192 0.2547 0.2718 0.4630 0.5706 1.2636 1.2847 1.7406 1.7887 2.2589 2.2658 2.4216 2.4954 2.6926 2.7616 2.9219 2.9472 2.9521 2.9823 3.1871 3.2416 3.5100 3.5613 7.9115 8.2745 9.5724 10.0442 10.2819 10.7648 11.6235 11.6362 12.3489 12.4879 k = 0.2717 0.1907-0.0927 ( 4101 PWs) bands (ev): -16.0736 -16.0707 -15.0362 -15.0276 -14.4895 -14.4850 -14.1166 -14.1141 -13.7573 -13.7428 -13.5690 -13.5529 -5.8288 -5.8125 -4.5441 -4.5359 -3.1583 -3.1496 -2.4547 -2.4379 -1.9553 -1.9467 -1.3664 -1.1442 -0.9498 -0.8077 -0.2900 -0.2447 0.2621 0.2800 0.4187 0.5250 1.2653 1.2813 1.7228 1.7764 2.2418 2.2451 2.4161 2.4921 2.7111 2.7787 2.9236 2.9397 2.9454 2.9852 3.2036 3.2603 3.5401 3.5961 7.9061 8.2672 9.5722 10.0382 10.3014 10.7869 11.6573 11.6685 12.3606 12.4905 k = 0.2826 0.1983-0.0964 ( 4105 PWs) bands (ev): -16.0464 -16.0434 -15.0354 -15.0268 -14.5092 -14.5058 -14.1232 -14.1200 -13.7601 -13.7455 -13.5767 -13.5609 -5.8727 -5.8568 -4.5052 -4.4972 -3.1485 -3.1389 -2.4394 -2.4223 -1.9259 -1.9188 -1.3590 -1.1322 -0.9568 -0.8180 -0.3165 -0.2700 0.2698 0.2896 0.3767 0.4806 1.2655 1.2773 1.7024 1.7599 2.2198 2.2216 2.4138 2.4895 2.7267 2.7913 2.9254 2.9354 2.9417 2.9919 3.2205 3.2794 3.5700 3.6302 7.9018 8.2595 9.5735 10.0312 10.3232 10.8076 11.6902 11.7003 12.3717 12.4923 k = 0.2935 0.2059-0.1001 ( 4100 PWs) bands (ev): -16.0183 -16.0153 -15.0348 -15.0263 -14.5310 -14.5287 -14.1282 -14.1243 -13.7636 -13.7489 -13.5833 -13.5681 -5.9155 -5.9001 -4.4651 -4.4572 -3.1398 -3.1292 -2.4283 -2.4108 -1.8975 -1.8917 -1.3492 -1.1190 -0.9595 -0.8250 -0.3426 -0.2949 0.2739 0.3000 0.3406 0.4379 1.2640 1.2726 1.6798 1.7395 2.1938 2.1958 2.4132 2.4867 2.7394 2.7988 2.9239 2.9317 2.9493 3.0015 3.2381 3.2989 3.5993 3.6632 7.8985 8.2513 9.5763 10.0235 10.3469 10.8268 11.7222 11.7317 12.3819 12.4931 k = 0.3043 0.2136-0.1038 ( 4097 PWs) bands (ev): -15.9895 -15.9864 -15.0346 -15.0261 -14.5546 -14.5534 -14.1318 -14.1272 -13.7677 -13.7531 -13.5889 -13.5745 -5.9571 -5.9421 -4.4238 -4.4163 -3.1320 -3.1204 -2.4221 -2.4042 -1.8695 -1.8647 -1.3371 -1.1047 -0.9579 -0.8286 -0.3681 -0.3191 0.2619 0.3085 0.3240 0.3986 1.2604 1.2674 1.6552 1.7158 2.1652 2.1678 2.4132 2.4829 2.7494 2.8018 2.9219 2.9289 2.9648 3.0131 3.2566 3.3190 3.6280 3.6949 7.8963 8.2428 9.5804 10.0152 10.3720 10.8444 11.7534 11.7625 12.3911 12.4931 k = 0.3152 0.2212-0.1075 ( 4104 PWs) bands (ev): -15.9599 -15.9569 -15.0348 -15.0263 -14.5798 -14.5796 -14.1341 -14.1289 -13.7725 -13.7582 -13.5935 -13.5799 -5.9972 -5.9827 -4.3818 -4.3745 -3.1250 -3.1123 -2.4212 -2.4028 -1.8418 -1.8376 -1.3225 -1.0895 -0.9523 -0.8289 -0.3925 -0.3424 0.2303 0.3069 0.3318 0.3691 1.2547 1.2615 1.6289 1.6893 2.1349 2.1382 2.4127 2.4777 2.7576 2.8019 2.9211 2.9280 2.9840 3.0260 3.2762 3.3396 3.6556 3.7250 7.8951 8.2338 9.5858 10.0064 10.3982 10.8602 11.7837 11.7927 12.3992 12.4923 k = 0.3261 0.2288-0.1112 ( 4112 PWs) bands (ev): -15.9297 -15.9266 -15.0356 -15.0271 -14.6070 -14.6060 -14.1353 -14.1296 -13.7781 -13.7641 -13.5970 -13.5844 -6.0357 -6.0217 -4.3392 -4.3321 -3.1186 -3.1049 -2.4260 -2.4069 -1.8141 -1.8102 -1.3055 -1.0737 -0.9429 -0.8260 -0.4156 -0.3646 0.1927 0.2860 0.3463 0.3626 1.2471 1.2545 1.6014 1.6604 2.1035 2.1075 2.4109 2.4706 2.7647 2.8008 2.9217 2.9289 3.0046 3.0394 3.2970 3.3607 3.6822 3.7535 7.8949 8.2244 9.5924 9.9971 10.4252 10.8741 11.8130 11.8222 12.4060 12.4908 k = 0.3370 0.2364-0.1149 ( 4107 PWs) bands (ev): -15.8988 -15.8958 -15.0370 -15.0286 -14.6351 -14.6332 -14.1355 -14.1293 -13.7842 -13.7706 -13.5995 -13.5879 -6.0724 -6.0590 -4.2961 -4.2894 -3.1126 -3.0980 -2.4362 -2.4166 -1.7866 -1.7825 -1.2862 -1.0573 -0.9299 -0.8199 -0.4371 -0.3855 0.1543 0.2516 0.3629 0.3726 1.2379 1.2457 1.5732 1.6298 2.0716 2.0763 2.4074 2.4615 2.7712 2.7997 2.9239 2.9314 3.0253 3.0529 3.3190 3.3824 3.7076 3.7801 7.8959 8.2146 9.6001 9.9873 10.4528 10.8860 11.8415 11.8510 12.4115 12.4886 k = 0.3478 0.2441-0.1186 ( 4104 PWs) bands (ev): -15.8673 -15.8644 -15.0393 -15.0310 -14.6635 -14.6608 -14.1348 -14.1283 -13.7909 -13.7778 -13.6011 -13.5907 -6.1072 -6.0945 -4.2530 -4.2465 -3.1069 -3.0913 -2.4517 -2.4315 -1.7594 -1.7547 -1.2648 -1.0408 -0.9140 -0.8110 -0.4569 -0.4050 0.1161 0.2138 0.3811 0.3882 1.2271 1.2349 1.5448 1.5981 2.0396 2.0450 2.4020 2.4504 2.7776 2.7993 2.9275 2.9351 3.0449 3.0659 3.3424 3.4043 3.7317 3.8048 7.8979 8.2044 9.6088 9.9772 10.4807 10.8960 11.8691 11.8791 12.4155 12.4859 k = 0.3587 0.2517-0.1223 ( 4100 PWs) bands (ev): -15.8354 -15.8325 -15.0427 -15.0344 -14.6919 -14.6883 -14.1334 -14.1267 -13.7981 -13.7854 -13.6020 -13.5926 -6.1400 -6.1280 -4.2099 -4.2037 -3.1013 -3.0849 -2.4720 -2.4512 -1.7328 -1.7270 -1.2413 -1.0243 -0.8954 -0.7992 -0.4747 -0.4231 0.0786 0.1755 0.4004 0.4065 1.2146 1.2217 1.5167 1.5659 2.0080 2.0138 2.3947 2.4378 2.7840 2.8000 2.9323 2.9399 3.0630 3.0781 3.3669 3.4263 3.7544 3.8273 7.9010 8.1938 9.6184 9.9666 10.5089 10.9038 11.8956 11.9063 12.4181 12.4827 k = 0.3696 0.2593-0.1260 ( 4098 PWs) bands (ev): -15.8030 -15.8002 -15.0474 -15.0392 -14.7197 -14.7154 -14.1315 -14.1245 -13.8055 -13.7934 -13.6023 -13.5940 -6.1707 -6.1595 -4.1673 -4.1614 -3.0956 -3.0783 -2.4964 -2.4751 -1.7073 -1.7001 -1.2161 -1.0081 -0.8746 -0.7850 -0.4906 -0.4397 0.0420 0.1373 0.4208 0.4265 1.2001 1.2058 1.4897 1.5339 1.9771 1.9833 2.3858 2.4239 2.7904 2.8018 2.9380 2.9454 3.0791 3.0894 3.3922 3.4483 3.7756 3.8477 7.9052 8.1828 9.6289 9.9555 10.5370 10.9096 11.9212 11.9325 12.4193 12.4788 k = 0.3804 0.2669-0.1297 ( 4096 PWs) bands (ev): -15.7703 -15.7676 -15.0537 -15.0456 -14.7465 -14.7416 -14.1290 -14.1221 -13.8131 -13.8016 -13.6021 -13.5947 -6.1993 -6.1889 -4.1255 -4.1198 -3.0895 -3.0715 -2.5244 -2.5026 -1.6831 -1.6743 -1.1893 -0.9925 -0.8520 -0.7685 -0.5044 -0.4547 0.0063 0.0997 0.4420 0.4480 1.1834 1.1871 1.4644 1.5030 1.9473 1.9537 2.3757 2.4091 2.7968 2.8046 2.9446 2.9515 3.0932 3.0997 3.4179 3.4699 3.7954 3.8659 7.9104 8.1713 9.6400 9.9440 10.5650 10.9133 11.9458 11.9578 12.4191 12.4745 k = 0.3913 0.2746-0.1334 ( 4100 PWs) bands (ev): -15.7374 -15.7348 -15.0620 -15.0541 -14.7716 -14.7662 -14.1263 -14.1193 -13.8207 -13.8098 -13.6015 -13.5951 -6.2256 -6.2160 -4.0848 -4.0794 -3.0829 -3.0642 -2.5552 -2.5329 -1.6605 -1.6501 -1.1616 -0.9778 -0.8281 -0.7501 -0.5161 -0.4682 -0.0283 0.0627 0.4640 0.4706 1.1636 1.1661 1.4413 1.4740 1.9188 1.9253 2.3647 2.3939 2.8028 2.8083 2.9515 2.9580 3.1053 3.1089 3.4436 3.4909 3.8137 3.8818 7.9167 8.1593 9.6519 9.9319 10.5927 10.9149 11.9692 11.9819 12.4178 12.4696 k = 0.4022 0.2822-0.1371 ( 4103 PWs) bands (ev): -15.7044 -15.7020 -15.0725 -15.0650 -14.7945 -14.7888 -14.1232 -14.1165 -13.8281 -13.8180 -13.6006 -13.5951 -6.2496 -6.2408 -4.0456 -4.0405 -3.0756 -3.0562 -2.5882 -2.5655 -1.6398 -1.6279 -1.1331 -0.9642 -0.8032 -0.7300 -0.5256 -0.4802 -0.0618 0.0264 0.4869 0.4942 1.1395 1.1437 1.4209 1.4475 1.8921 1.8985 2.3533 2.3787 2.8085 2.8128 2.9588 2.9647 3.1155 3.1170 3.4689 3.5110 3.8305 3.8954 7.9239 8.1470 9.6643 9.9195 10.6199 10.9145 11.9914 12.0048 12.4156 12.4642 k = 0.4130 0.2898-0.1408 ( 4107 PWs) bands (ev): -15.6716 -15.6694 -15.0854 -15.0784 -14.8147 -14.8090 -14.1200 -14.1136 -13.8352 -13.8258 -13.5996 -13.5948 -6.2711 -6.2633 -4.0083 -4.0036 -3.0673 -3.0473 -2.6226 -2.5997 -1.6210 -1.6081 -1.1046 -0.9519 -0.7778 -0.7087 -0.5331 -0.4908 -0.0939 -0.0092 0.5105 0.5185 1.1124 1.1193 1.4034 1.4241 1.8673 1.8734 2.3420 2.3640 2.8136 2.8176 2.9660 2.9713 3.1238 3.1243 3.4931 3.5300 3.8459 3.9068 7.9321 8.1343 9.6772 9.9066 10.6466 10.9120 12.0123 12.0261 12.4127 12.4582 k = 0.4239 0.2975-0.1446 ( 4109 PWs) bands (ev): -15.6393 -15.6372 -15.1008 -15.0944 -14.8318 -14.8264 -14.1168 -14.1107 -13.8419 -13.8333 -13.5985 -13.5944 -6.2902 -6.2833 -3.9735 -3.9691 -3.0578 -3.0373 -2.6578 -2.6348 -1.6043 -1.5908 -1.0766 -0.9413 -0.7523 -0.6868 -0.5384 -0.4999 -0.1243 -0.0438 0.5346 0.5434 1.0833 1.0927 1.3886 1.4042 1.8446 1.8504 2.3312 2.3500 2.8183 2.8224 2.9730 2.9776 3.1299 3.1312 3.5159 3.5475 3.8599 3.9158 7.9412 8.1212 9.6906 9.8933 10.6726 10.9076 12.0318 12.0458 12.4095 12.4517 k = 0.4348 0.3051-0.1483 ( 4111 PWs) bands (ev): -15.6077 -15.6058 -15.1183 -15.1127 -14.8459 -14.8410 -14.1136 -14.1080 -13.8480 -13.8403 -13.5973 -13.5940 -6.3068 -6.3008 -3.9417 -3.9377 -3.0468 -3.0261 -2.6931 -2.6702 -1.5895 -1.5762 -1.0496 -0.9327 -0.7271 -0.6652 -0.5416 -0.5076 -0.1526 -0.0773 0.5591 0.5684 1.0531 1.0643 1.3764 1.3877 1.8245 1.8297 2.3212 2.3370 2.8228 2.8268 2.9795 2.9836 3.1350 3.1369 3.5368 3.5631 3.8725 3.9226 7.9512 8.1078 9.7044 9.8796 10.6977 10.9012 12.0497 12.0636 12.4063 12.4448 k = 0.4457 0.3127-0.1520 ( 4110 PWs) bands (ev): -15.5774 -15.5758 -15.1372 -15.1326 -14.8570 -14.8527 -14.1105 -14.1056 -13.8533 -13.8467 -13.5962 -13.5935 -6.3208 -6.3158 -3.9134 -3.9100 -3.0344 -3.0136 -2.7276 -2.7051 -1.5769 -1.5643 -1.0243 -0.9264 -0.7026 -0.6452 -0.5427 -0.5138 -0.1781 -0.1095 0.5836 0.5932 1.0228 1.0350 1.3667 1.3745 1.8071 1.8117 2.3125 2.3254 2.8268 2.8305 2.9855 2.9889 3.1392 3.1413 3.5555 3.5768 3.8839 3.9273 7.9620 8.0942 9.7185 9.8656 10.7220 10.8930 12.0659 12.0791 12.4035 12.4375 k = 0.4565 0.3203-0.1557 ( 4107 PWs) bands (ev): -15.5491 -15.5478 -15.1567 -15.1530 -14.8653 -14.8618 -14.1077 -14.1036 -13.8577 -13.8522 -13.5952 -13.5931 -6.3322 -6.3282 -3.8892 -3.8863 -3.0204 -3.0001 -2.7605 -2.7388 -1.5662 -1.5552 -1.0011 -0.9225 -0.6795 -0.6284 -0.5414 -0.5185 -0.1999 -0.1398 0.6076 0.6169 0.9939 1.0061 1.3591 1.3643 1.7926 1.7964 2.3051 2.3154 2.8303 2.8336 2.9907 2.9935 3.1426 3.1446 3.5715 3.5881 3.8941 3.9300 7.9735 8.0804 9.7329 9.8513 10.7452 10.8830 12.0802 12.0919 12.4014 12.4302 k = 0.4674 0.3280-0.1594 ( 4101 PWs) bands (ev): -15.5240 -15.5231 -15.1752 -15.1724 -14.8713 -14.8686 -14.1053 -14.1021 -13.8610 -13.8569 -13.5944 -13.5928 -6.3410 -6.3380 -3.8696 -3.8674 -3.0052 -2.9862 -2.7901 -2.7702 -1.5575 -1.5486 -0.9805 -0.9214 -0.6584 -0.6164 -0.5379 -0.5218 -0.2167 -0.1676 0.6299 0.6385 0.9679 0.9790 1.3534 1.3567 1.7812 1.7841 2.2995 2.3072 2.8333 2.8360 2.9950 2.9971 3.1453 3.1470 3.5847 3.5968 3.9031 3.9307 7.9856 8.0664 9.7475 9.8368 10.7673 10.8712 12.0921 12.1019 12.4004 12.4231 k = 0.4783 0.3356-0.1631 ( 4099 PWs) bands (ev): -15.5037 -15.5031 -15.1909 -15.1890 -14.8751 -14.8734 -14.1033 -14.1011 -13.8633 -13.8605 -13.5937 -13.5926 -6.3472 -6.3451 -3.8551 -3.8536 -2.9895 -2.9736 -2.8145 -2.7979 -1.5507 -1.5445 -0.9627 -0.9233 -0.6402 -0.6105 -0.5333 -0.5237 -0.2271 -0.1918 0.6492 0.6560 0.9471 0.9557 1.3496 1.3515 1.7731 1.7751 2.2957 2.3008 2.8356 2.8375 2.9983 2.9997 3.1473 3.1485 3.5948 3.6027 3.9109 3.9297 7.9983 8.0525 9.7623 9.8220 10.7882 10.8577 12.1016 12.1086 12.4007 12.4164 k = 0.4891 0.3432-0.1668 ( 4105 PWs) bands (ev): -15.4902 -15.4899 -15.2015 -15.2006 -14.8772 -14.8763 -14.1018 -14.1007 -13.8644 -13.8630 -13.5931 -13.5926 -6.3507 -6.3496 -3.8461 -3.8453 -2.9753 -2.9656 -2.8297 -2.8197 -1.5460 -1.5428 -0.9480 -0.9283 -0.6257 -0.6104 -0.5290 -0.5248 -0.2298 -0.2113 0.6634 0.6672 0.9340 0.9389 1.3475 1.3483 1.7684 1.7694 2.2939 2.2964 2.8373 2.8382 3.0004 3.0011 3.1486 3.1492 3.6016 3.6055 3.9176 3.9271 8.0114 8.0386 9.7772 9.8072 10.8077 10.8425 12.1082 12.1119 12.4025 12.4105 k = 0.5000 0.3508-0.1705 ( 4108 PWs) bands (ev): -15.4853 -15.4853 -15.2051 -15.2051 -14.8776 -14.8776 -14.1009 -14.1009 -13.8643 -13.8643 -13.5928 -13.5928 -6.3515 -6.3515 -3.8428 -3.8428 -2.9660 -2.9660 -2.8316 -2.8316 -1.5434 -1.5434 -0.9365 -0.9365 -0.6156 -0.6156 -0.5262 -0.5262 -0.2243 -0.2243 0.6699 0.6699 0.9311 0.9311 1.3470 1.3470 1.7671 1.7671 2.2941 2.2941 2.8381 2.8381 3.0014 3.0014 3.1492 3.1492 3.6052 3.6052 3.9230 3.9230 8.0249 8.0249 9.7922 9.7922 10.8259 10.8259 12.1117 12.1117 12.4058 12.4058 k = 0.5000 0.3508-0.1705 ( 4108 PWs) bands (ev): -15.4853 -15.4853 -15.2051 -15.2051 -14.8776 -14.8776 -14.1009 -14.1009 -13.8643 -13.8643 -13.5928 -13.5928 -6.3515 -6.3515 -3.8428 -3.8428 -2.9660 -2.9660 -2.8316 -2.8316 -1.5434 -1.5434 -0.9365 -0.9365 -0.6156 -0.6156 -0.5262 -0.5262 -0.2243 -0.2243 0.6699 0.6699 0.9311 0.9311 1.3470 1.3470 1.7671 1.7671 2.2941 2.2941 2.8381 2.8381 3.0014 3.0014 3.1492 3.1492 3.6052 3.6052 3.9230 3.9230 8.0249 8.0249 9.7922 9.7922 10.8259 10.8259 12.1117 12.1117 12.4058 12.4058 k = 0.5029 0.3529-0.1579 ( 4109 PWs) bands (ev): -15.4855 -15.4855 -15.2049 -15.2048 -14.8778 -14.8774 -14.1017 -14.1007 -13.8645 -13.8635 -13.5930 -13.5927 -6.3508 -6.3501 -3.8455 -3.8441 -2.9681 -2.9652 -2.8331 -2.8299 -1.5421 -1.5411 -0.9400 -0.9344 -0.6216 -0.6108 -0.5330 -0.5170 -0.2272 -0.2193 0.6692 0.6701 0.9295 0.9308 1.3463 1.3470 1.7663 1.7702 2.2882 2.2974 2.8370 2.8401 2.9996 3.0053 3.1481 3.1494 3.6044 3.6050 3.9208 3.9250 8.0216 8.0285 9.7877 9.7968 10.8208 10.8299 12.1111 12.1123 12.3997 12.4117 k = 0.5058 0.3549-0.1453 ( 4109 PWs) bands (ev): -15.4860 -15.4860 -15.2043 -15.2040 -14.8781 -14.8774 -14.1030 -14.1010 -13.8639 -13.8620 -13.5935 -13.5928 -6.3480 -6.3466 -3.8521 -3.8495 -2.9716 -2.9658 -2.8344 -2.8283 -1.5376 -1.5355 -0.9448 -0.9336 -0.6278 -0.6076 -0.5365 -0.5061 -0.2278 -0.2122 0.6681 0.6697 0.9260 0.9285 1.3449 1.3464 1.7677 1.7755 2.2800 2.2979 2.8366 2.8428 3.0000 3.0114 3.1461 3.1487 3.6024 3.6036 3.9183 3.9268 8.0187 8.0324 9.7834 9.8016 10.8147 10.8329 12.1105 12.1129 12.3935 12.4173 k = 0.5086 0.3569-0.1327 ( 4111 PWs) bands (ev): -15.4869 -15.4869 -15.2033 -15.2028 -14.8786 -14.8775 -14.1047 -14.1019 -13.8627 -13.8599 -13.5942 -13.5931 -6.3432 -6.3411 -3.8627 -3.8589 -2.9762 -2.9678 -2.8354 -2.8264 -1.5299 -1.5269 -0.9509 -0.9343 -0.6337 -0.6063 -0.5360 -0.4942 -0.2261 -0.2032 0.6662 0.6689 0.9210 0.9245 1.3428 1.3450 1.7710 1.7830 2.2700 2.2956 2.8370 2.8462 3.0026 3.0192 3.1433 3.1471 3.5994 3.6012 3.9156 3.9284 8.0162 8.0366 9.7793 9.8064 10.8077 10.8348 12.1099 12.1135 12.3873 12.4224 k = 0.5115 0.3589-0.1201 ( 4104 PWs) bands (ev): -15.4882 -15.4881 -15.2018 -15.2012 -14.8791 -14.8777 -14.1069 -14.1033 -13.8608 -13.8573 -13.5950 -13.5936 -6.3362 -6.3335 -3.8770 -3.8722 -2.9820 -2.9712 -2.8357 -2.8242 -1.5195 -1.5157 -0.9584 -0.9366 -0.6386 -0.6062 -0.5320 -0.4819 -0.2221 -0.1923 0.6634 0.6672 0.9148 0.9192 1.3400 1.3429 1.7760 1.7922 2.2589 2.2909 2.8381 2.8505 3.0070 3.0285 3.1398 3.1447 3.5954 3.5977 3.9128 3.9298 8.0140 8.0411 9.7754 9.8112 10.7999 10.8356 12.1093 12.1142 12.3810 12.4268 k = 0.5144 0.3609-0.1075 ( 4105 PWs) bands (ev): -15.4898 -15.4898 -15.1999 -15.1991 -14.8796 -14.8779 -14.1093 -14.1050 -13.8584 -13.8543 -13.5960 -13.5943 -6.3274 -6.3240 -3.8949 -3.8893 -2.9889 -2.9759 -2.8350 -2.8215 -1.5071 -1.5027 -0.9673 -0.9408 -0.6419 -0.6061 -0.5253 -0.4694 -0.2158 -0.1797 0.6594 0.6645 0.9080 0.9128 1.3364 1.3400 1.7822 1.8029 2.2474 2.2841 2.8398 2.8554 3.0130 3.0388 3.1357 3.1416 3.5902 3.5930 3.9097 3.9310 8.0123 8.0458 9.7719 9.8160 10.7914 10.8353 12.1089 12.1150 12.3747 12.4302 k = 0.5173 0.3630-0.0949 ( 4104 PWs) bands (ev): -15.4918 -15.4918 -15.1975 -15.1966 -14.8802 -14.8781 -14.1120 -14.1072 -13.8556 -13.8509 -13.5972 -13.5951 -6.3166 -6.3125 -3.9162 -3.9100 -2.9965 -2.9818 -2.8332 -2.8181 -1.4932 -1.4885 -0.9777 -0.9470 -0.6431 -0.6047 -0.5168 -0.4568 -0.2073 -0.1656 0.6538 0.6606 0.9010 0.9061 1.3320 1.3365 1.7890 1.8146 2.2363 2.2760 2.8421 2.8609 3.0201 3.0498 3.1312 3.1379 3.5839 3.5872 3.9064 3.9320 8.0108 8.0508 9.7686 9.8208 10.7821 10.8340 12.1085 12.1159 12.3683 12.4326 k = 0.5201 0.3650-0.0823 ( 4101 PWs) bands (ev): -15.4943 -15.4942 -15.1947 -15.1937 -14.8807 -14.8783 -14.1148 -14.1095 -13.8524 -13.8473 -13.5986 -13.5961 -6.3039 -6.2993 -3.9406 -3.9340 -3.0047 -2.9887 -2.8303 -2.8139 -1.4787 -1.4737 -0.9895 -0.9554 -0.6418 -0.6013 -0.5068 -0.4445 -0.1967 -0.1500 0.6464 0.6549 0.8946 0.8996 1.3267 1.3321 1.7958 1.8266 2.2266 2.2673 2.8448 2.8669 3.0279 3.0611 3.1265 3.1338 3.5766 3.5803 3.9029 3.9329 8.0097 8.0559 9.7657 9.8256 10.7724 10.8318 12.1083 12.1170 12.3619 12.4335 k = 0.5230 0.3670-0.0697 ( 4108 PWs) bands (ev): -15.4973 -15.4971 -15.1916 -15.1904 -14.8811 -14.8785 -14.1177 -14.1121 -13.8489 -13.8436 -13.6001 -13.5973 -6.2895 -6.2843 -3.9678 -3.9611 -3.0133 -2.9963 -2.8261 -2.8089 -1.4643 -1.4592 -1.0026 -0.9658 -0.6378 -0.5954 -0.4958 -0.4325 -0.1842 -0.1332 0.6368 0.6473 0.8893 0.8939 1.3205 1.3268 1.8019 1.8383 2.2192 2.2590 2.8480 2.8733 3.0356 3.0721 3.1218 3.1296 3.5681 3.5723 3.8993 3.9337 8.0088 8.0612 9.7631 9.8302 10.7621 10.8287 12.1083 12.1184 12.3553 12.4330 k = 0.5259 0.3690-0.0571 ( 4114 PWs) bands (ev): -15.5007 -15.5004 -15.1880 -15.1867 -14.8814 -14.8785 -14.1206 -14.1148 -13.8453 -13.8398 -13.6018 -13.5985 -6.2735 -6.2678 -3.9975 -3.9909 -3.0220 -3.0044 -2.8207 -2.8031 -1.4505 -1.4455 -1.0171 -0.9783 -0.6309 -0.5868 -0.4839 -0.4208 -0.1699 -0.1153 0.6251 0.6374 0.8855 0.8895 1.3130 1.3205 1.8069 1.8490 2.2150 2.2523 2.8515 2.8799 3.0428 3.0825 3.1173 3.1257 3.5586 3.5632 3.8956 3.9344 8.0081 8.0667 9.7609 9.8348 10.7515 10.8247 12.1084 12.1200 12.3485 12.4308 k = 0.5288 0.3710-0.0445 ( 4116 PWs) bands (ev): -15.5047 -15.5042 -15.1840 -15.1826 -14.8815 -14.8784 -14.1233 -14.1175 -13.8417 -13.8361 -13.6035 -13.6000 -6.2560 -6.2498 -4.0292 -4.0230 -3.0306 -3.0127 -2.8142 -2.7964 -1.4380 -1.4332 -1.0328 -0.9926 -0.6214 -0.5755 -0.4711 -0.4095 -0.1539 -0.0963 0.6112 0.6253 0.8835 0.8870 1.3042 1.3131 1.8101 1.8578 2.2148 2.2481 2.8551 2.8865 3.0487 3.0914 3.1135 3.1229 3.5480 3.5530 3.8919 3.9351 8.0076 8.0723 9.7591 9.8393 10.7406 10.8202 12.1086 12.1219 12.3417 12.4268 k = 0.5317 0.3731-0.0319 ( 4117 PWs) bands (ev): -15.5091 -15.5085 -15.1797 -15.1782 -14.8814 -14.8781 -14.1259 -14.1201 -13.8381 -13.8326 -13.6054 -13.6015 -6.2372 -6.2305 -4.0627 -4.0569 -3.0389 -3.0210 -2.8066 -2.7889 -1.4273 -1.4226 -1.0494 -1.0084 -0.6097 -0.5618 -0.4573 -0.3988 -0.1365 -0.0765 0.5953 0.6111 0.8837 0.8866 1.2938 1.3044 1.8115 1.8642 2.2191 2.2477 2.8588 2.8930 3.0528 3.0971 3.1116 3.1215 3.5364 3.5417 3.8883 3.9358 8.0071 8.0780 9.7576 9.8437 10.7295 10.8150 12.1088 12.1240 12.3348 12.4211 k = 0.5345 0.3751-0.0193 ( 4120 PWs) bands (ev): -15.5141 -15.5133 -15.1750 -15.1733 -14.8810 -14.8775 -14.1283 -14.1226 -13.8346 -13.8293 -13.6074 -13.6031 -6.2172 -6.2102 -4.0973 -4.0922 -3.0468 -3.0292 -2.7982 -2.7807 -1.4187 -1.4141 -1.0668 -1.0254 -0.5965 -0.5458 -0.4424 -0.3888 -0.1179 -0.0560 0.5780 0.5949 0.8861 0.8884 1.2816 1.2941 1.8112 1.8678 2.2281 2.2516 2.8625 2.8992 3.0549 3.0968 3.1144 3.1217 3.5239 3.5295 3.8847 3.9365 8.0067 8.0838 9.7563 9.8481 10.7184 10.8094 12.1088 12.1264 12.3280 12.4136 k = 0.5374 0.3771-0.0067 ( 4116 PWs) bands (ev): -15.5197 -15.5187 -15.1699 -15.1682 -14.8803 -14.8766 -14.1304 -14.1249 -13.8313 -13.8263 -13.6094 -13.6047 -6.1962 -6.1889 -4.1327 -4.1284 -3.0543 -3.0370 -2.7888 -2.7717 -1.4125 -1.4077 -1.0847 -1.0432 -0.5823 -0.5280 -0.4264 -0.3795 -0.0984 -0.0351 0.5597 0.5773 0.8906 0.8927 1.2672 1.2819 1.8096 1.8686 2.2416 2.2605 2.8660 2.9049 3.0554 3.0930 3.1189 3.1231 3.5104 3.5163 3.8814 3.9373 8.0061 8.0897 9.7554 9.8524 10.7072 10.8034 12.1085 12.1290 12.3214 12.4045 k = 0.5403 0.3791 0.0059 ( 4112 PWs) bands (ev): -15.5259 -15.5246 -15.1645 -15.1627 -14.8792 -14.8754 -14.1321 -14.1269 -13.8284 -13.8236 -13.6115 -13.6065 -6.1745 -6.1670 -4.1683 -4.1650 -3.0612 -3.0445 -2.7788 -2.7622 -1.4089 -1.4034 -1.1029 -1.0615 -0.5682 -0.5088 -0.4090 -0.3711 -0.0785 -0.0140 0.5411 0.5588 0.8973 0.8994 1.2505 1.2677 1.8073 1.8670 2.2593 2.2741 2.8694 2.9099 3.0548 3.0884 3.1226 3.1249 3.4962 3.5022 3.8782 3.9382 8.0053 8.0957 9.7547 9.8566 10.6961 10.7972 12.1076 12.1318 12.3153 12.3938 k = 0.5403 0.3791 0.0059 ( 4112 PWs) bands (ev): -15.5259 -15.5246 -15.1645 -15.1627 -14.8792 -14.8754 -14.1321 -14.1269 -13.8284 -13.8236 -13.6115 -13.6065 -6.1745 -6.1670 -4.1683 -4.1650 -3.0612 -3.0445 -2.7788 -2.7622 -1.4089 -1.4034 -1.1029 -1.0615 -0.5682 -0.5088 -0.4090 -0.3711 -0.0785 -0.0140 0.5411 0.5588 0.8973 0.8994 1.2505 1.2677 1.8073 1.8670 2.2593 2.2741 2.8694 2.9099 3.0548 3.0884 3.1226 3.1249 3.4962 3.5022 3.8782 3.9382 8.0053 8.0957 9.7547 9.8566 10.6961 10.7972 12.1076 12.1318 12.3153 12.3938 k = 0.5372 0.3769 0.0190 ( 4118 PWs) bands (ev): -15.5246 -15.5233 -15.1595 -15.1569 -14.8834 -14.8790 -14.1316 -14.1266 -13.8286 -13.8242 -13.6163 -13.6113 -6.1564 -6.1491 -4.1969 -4.1939 -3.0730 -3.0573 -2.7609 -2.7448 -1.4002 -1.3943 -1.1162 -1.0795 -0.5538 -0.4958 -0.4010 -0.3538 -0.0724 -0.0106 0.5317 0.5493 0.8838 0.8862 1.2337 1.2519 1.8098 1.8683 2.2882 2.2994 2.8800 2.9187 3.0536 3.0846 3.1225 3.1247 3.4789 3.4854 3.8847 3.9426 8.0076 8.0918 9.7604 9.8551 10.6965 10.7873 12.1001 12.1271 12.3151 12.3864 k = 0.5341 0.3748 0.0321 ( 4114 PWs) bands (ev): -15.5242 -15.5228 -15.1538 -15.1505 -14.8874 -14.8825 -14.1310 -14.1263 -13.8288 -13.8248 -13.6213 -13.6163 -6.1379 -6.1308 -4.2259 -4.2232 -3.0831 -3.0685 -2.7435 -2.7281 -1.3919 -1.3856 -1.1297 -1.0973 -0.5409 -0.4830 -0.3931 -0.3381 -0.0651 -0.0066 0.5209 0.5383 0.8730 0.8758 1.2156 1.2347 1.8114 1.8672 2.3218 2.3304 2.8910 2.9273 3.0519 3.0804 3.1200 3.1230 3.4606 3.4675 3.8917 3.9469 8.0099 8.0876 9.7661 9.8536 10.6970 10.7779 12.0924 12.1215 12.3151 12.3792 k = 0.5310 0.3726 0.0452 ( 4111 PWs) bands (ev): -15.5244 -15.5230 -15.1474 -15.1436 -14.8911 -14.8858 -14.1303 -14.1259 -13.8291 -13.8254 -13.6262 -13.6214 -6.1192 -6.1125 -4.2549 -4.2524 -3.0917 -3.0782 -2.7267 -2.7122 -1.3841 -1.3775 -1.1430 -1.1147 -0.5292 -0.4710 -0.3851 -0.3243 -0.0568 -0.0023 0.5090 0.5261 0.8652 0.8684 1.1964 1.2162 1.8124 1.8645 2.3591 2.3661 2.9018 2.9354 3.0502 3.0761 3.1151 3.1195 3.4418 3.4489 3.8989 3.9510 8.0120 8.0833 9.7717 9.8520 10.6974 10.7689 12.0847 12.1150 12.3152 12.3722 k = 0.5279 0.3704 0.0583 ( 4113 PWs) bands (ev): -15.5251 -15.5236 -15.1407 -15.1364 -14.8946 -14.8890 -14.1297 -14.1256 -13.8293 -13.8260 -13.6310 -13.6264 -6.1007 -6.0944 -4.2832 -4.2810 -3.0989 -3.0866 -2.7108 -2.6973 -1.3768 -1.3699 -1.1560 -1.1316 -0.5185 -0.4603 -0.3768 -0.3127 -0.0474 0.0025 0.4964 0.5130 0.8603 0.8640 1.1763 1.1964 1.8130 1.8607 2.3995 2.4055 2.9121 2.9424 3.0484 3.0714 3.1079 3.1141 3.4229 3.4300 3.9064 3.9548 8.0142 8.0788 9.7774 9.8502 10.6980 10.7606 12.0774 12.1079 12.3154 12.3655 k = 0.5248 0.3682 0.0714 ( 4111 PWs) bands (ev): -15.5260 -15.5247 -15.1339 -15.1293 -14.8977 -14.8920 -14.1290 -14.1253 -13.8294 -13.8265 -13.6356 -13.6313 -6.0827 -6.0769 -4.3105 -4.3085 -3.1048 -3.0938 -2.6959 -2.6836 -1.3699 -1.3629 -1.1683 -1.1477 -0.5085 -0.4514 -0.3682 -0.3035 -0.0373 0.0074 0.4836 0.4993 0.8583 0.8625 1.1555 1.1756 1.8137 1.8565 2.4422 2.4476 2.9210 2.9477 3.0468 3.0662 3.0992 3.1071 3.4043 3.4113 3.9139 3.9582 8.0164 8.0742 9.7830 9.8483 10.6986 10.7529 12.0706 12.1004 12.3157 12.3592 k = 0.5217 0.3661 0.0846 ( 4115 PWs) bands (ev): -15.5272 -15.5259 -15.1271 -15.1226 -14.9005 -14.8949 -14.1284 -14.1250 -13.8296 -13.8270 -13.6399 -13.6359 -6.0656 -6.0603 -4.3361 -4.3343 -3.1096 -3.1000 -2.6823 -2.6712 -1.3634 -1.3564 -1.1800 -1.1629 -0.4991 -0.4446 -0.3592 -0.2965 -0.0268 0.0124 0.4710 0.4857 0.8590 0.8637 1.1344 1.1541 1.8145 1.8521 2.4864 2.4914 2.9274 2.9504 3.0454 3.0601 3.0901 3.0989 3.3866 3.3932 3.9213 3.9611 8.0187 8.0696 9.7885 9.8461 10.6994 10.7458 12.0646 12.0927 12.3161 12.3533 k = 0.5186 0.3639 0.0977 ( 4117 PWs) bands (ev): -15.5284 -15.5272 -15.1208 -15.1163 -14.9029 -14.8975 -14.1278 -14.1248 -13.8297 -13.8275 -13.6439 -13.6403 -6.0497 -6.0450 -4.3596 -4.3580 -3.1134 -3.1051 -2.6700 -2.6603 -1.3574 -1.3506 -1.1907 -1.1768 -0.4902 -0.4399 -0.3500 -0.2918 -0.0162 0.0172 0.4591 0.4725 0.8621 0.8674 1.1134 1.1323 1.8156 1.8478 2.5317 2.5365 2.9293 2.9491 3.0441 3.0536 3.0822 3.0906 3.3702 3.3762 3.9285 3.9634 8.0211 8.0650 9.7939 9.8437 10.7004 10.7393 12.0594 12.0851 12.3167 12.3478 k = 0.5155 0.3617 0.1108 ( 4114 PWs) bands (ev): -15.5295 -15.5285 -15.1149 -15.1107 -14.9049 -14.9000 -14.1272 -14.1247 -13.8297 -13.8279 -13.6473 -13.6442 -6.0354 -6.0313 -4.3804 -4.3791 -3.1163 -3.1094 -2.6592 -2.6510 -1.3518 -1.3454 -1.2003 -1.1894 -0.4817 -0.4373 -0.3407 -0.2891 -0.0059 0.0216 0.4484 0.4602 0.8674 0.8731 1.0930 1.1107 1.8169 1.8437 2.5774 2.5819 2.9247 2.9421 3.0419 3.0490 3.0765 3.0831 3.3555 3.3607 3.9353 3.9649 8.0236 8.0604 9.7993 9.8410 10.7017 10.7334 12.0553 12.0778 12.3174 12.3429 k = 0.5124 0.3595 0.1239 ( 4108 PWs) bands (ev): -15.5305 -15.5297 -15.1097 -15.1061 -14.9065 -14.9022 -14.1266 -14.1246 -13.8297 -13.8283 -13.6501 -13.6475 -6.0230 -6.0197 -4.3981 -4.3970 -3.1184 -3.1129 -2.6500 -2.6433 -1.3467 -1.3411 -1.2085 -1.2003 -0.4737 -0.4365 -0.3316 -0.2884 0.0035 0.0253 0.4393 0.4492 0.8743 0.8802 1.0740 1.0899 1.8184 1.8399 2.6229 2.6274 2.9121 2.9277 3.0394 3.0478 3.0728 3.0774 3.3430 3.3473 3.9416 3.9657 8.0263 8.0559 9.8045 9.8381 10.7032 10.7282 12.0523 12.0710 12.3184 12.3384 k = 0.5093 0.3574 0.1370 ( 4108 PWs) bands (ev): -15.5314 -15.5308 -15.1054 -15.1024 -14.9075 -14.9041 -14.1261 -14.1246 -13.8297 -13.8286 -13.6523 -13.6503 -6.0129 -6.0104 -4.4123 -4.4115 -3.1198 -3.1157 -2.6425 -2.6375 -1.3422 -1.3376 -1.2152 -1.2093 -0.4663 -0.4373 -0.3229 -0.2893 0.0119 0.0279 0.4321 0.4398 0.8822 0.8879 1.0572 1.0707 1.8203 1.8363 2.6676 2.6721 2.8921 2.9054 3.0391 3.0476 3.0707 3.0738 3.3329 3.3361 3.9474 3.9657 8.0292 8.0515 9.8095 9.8348 10.7050 10.7234 12.0504 12.0650 12.3196 12.3344 k = 0.5062 0.3552 0.1501 ( 4106 PWs) bands (ev): -15.5320 -15.5316 -15.1020 -15.0999 -14.9081 -14.9057 -14.1257 -14.1247 -13.8296 -13.8289 -13.6538 -13.6525 -6.0053 -6.0036 -4.4227 -4.4221 -3.1206 -3.1178 -2.6369 -2.6335 -1.3385 -1.3352 -1.2200 -1.2163 -0.4594 -0.4396 -0.3148 -0.2919 0.0188 0.0293 0.4272 0.4324 0.8902 0.8950 1.0441 1.0542 1.8223 1.8330 2.7107 2.7155 2.8661 2.8769 3.0406 3.0471 3.0698 3.0719 3.3255 3.3277 3.9525 3.9648 8.0324 8.0472 9.8143 9.8313 10.7071 10.7193 12.0499 12.0598 12.3211 12.3309 k = 0.5031 0.3530 0.1633 ( 4104 PWs) bands (ev): -15.5323 -15.5321 -15.0997 -15.0986 -14.9082 -14.9070 -14.1253 -14.1248 -13.8295 -13.8292 -13.6546 -13.6539 -6.0005 -5.9996 -4.4290 -4.4287 -3.1208 -3.1194 -2.6331 -2.6314 -1.3358 -1.3341 -1.2227 -1.2209 -0.4531 -0.4431 -0.3075 -0.2959 0.0240 0.0293 0.4247 0.4273 0.8968 0.8996 1.0364 1.0419 1.8247 1.8300 2.7506 2.7556 2.8366 2.8447 3.0427 3.0461 3.0698 3.0709 3.3212 3.3223 3.9568 3.9630 8.0358 8.0432 9.8189 9.8274 10.7095 10.7156 12.0505 12.0555 12.3229 12.3278 k = 0.5000 0.3508 0.1764 ( 4102 PWs) bands (ev): -15.5324 -15.5324 -15.0985 -15.0985 -14.9078 -14.9078 -14.1250 -14.1250 -13.8294 -13.8294 -13.6546 -13.6546 -5.9986 -5.9986 -4.4310 -4.4310 -3.1203 -3.1203 -2.6313 -2.6313 -1.3343 -1.3343 -1.2230 -1.2230 -0.4477 -0.4477 -0.3011 -0.3011 0.0275 0.0275 0.4247 0.4247 0.9003 0.9003 1.0356 1.0356 1.8272 1.8272 2.7777 2.7777 2.8191 2.8191 3.0446 3.0446 3.0703 3.0703 3.3201 3.3201 3.9603 3.9603 8.0394 8.0394 9.8233 9.8233 10.7123 10.7123 12.0524 12.0524 12.3252 12.3252 k = 0.5000 0.3508 0.1764 ( 4102 PWs) bands (ev): -15.5324 -15.5324 -15.0985 -15.0985 -14.9078 -14.9078 -14.1250 -14.1250 -13.8294 -13.8294 -13.6546 -13.6546 -5.9986 -5.9986 -4.4310 -4.4310 -3.1203 -3.1203 -2.6313 -2.6313 -1.3343 -1.3343 -1.2230 -1.2230 -0.4477 -0.4477 -0.3011 -0.3011 0.0275 0.0275 0.4247 0.4247 0.9003 0.9003 1.0356 1.0356 1.8272 1.8272 2.7777 2.7777 2.8191 2.8191 3.0446 3.0446 3.0703 3.0703 3.3201 3.3201 3.9603 3.9603 8.0394 8.0394 9.8233 9.8233 10.7123 10.7123 12.0524 12.0524 12.3252 12.3252 k = 0.5078 0.3397 0.1764 ( 4102 PWs) bands (ev): -15.5333 -15.5329 -15.0986 -15.0986 -14.9072 -14.9070 -14.1252 -14.1252 -13.8291 -13.8289 -13.6546 -13.6544 -5.9984 -5.9984 -4.4325 -4.4301 -3.1209 -3.1191 -2.6312 -2.6310 -1.3358 -1.3354 -1.2283 -1.2194 -0.4502 -0.4473 -0.3022 -0.3018 0.0254 0.0318 0.4245 0.4250 0.8993 0.9043 1.0375 1.0375 1.8283 1.8289 2.7761 2.7767 2.8194 2.8194 3.0346 3.0518 3.0635 3.0805 3.3196 3.3196 3.9592 3.9596 8.0278 8.0526 9.8197 9.8272 10.7112 10.7129 12.0505 12.0514 12.3238 12.3239 k = 0.5156 0.3286 0.1764 ( 4104 PWs) bands (ev): -15.5357 -15.5348 -15.0989 -15.0989 -14.9053 -14.9049 -14.1257 -14.1256 -13.8282 -13.8278 -13.6543 -13.6540 -5.9978 -5.9977 -4.4347 -4.4300 -3.1208 -3.1171 -2.6309 -2.6305 -1.3398 -1.3391 -1.2353 -1.2176 -0.4547 -0.4490 -0.3050 -0.3042 0.0254 0.0383 0.4243 0.4253 0.9013 0.9113 1.0432 1.0433 1.8322 1.8333 2.7719 2.7730 2.8203 2.8203 3.0248 3.0465 3.0699 3.0913 3.3183 3.3183 3.9562 3.9569 8.0178 8.0676 9.8163 9.8314 10.7094 10.7128 12.0456 12.0473 12.3200 12.3202 k = 0.5235 0.3174 0.1764 ( 4100 PWs) bands (ev): -15.5395 -15.5382 -15.0995 -15.0994 -14.9021 -14.9014 -14.1265 -14.1264 -13.8267 -13.8261 -13.6537 -13.6533 -5.9967 -5.9966 -4.4375 -4.4305 -3.1200 -3.1146 -2.6303 -2.6297 -1.3464 -1.3454 -1.2438 -1.2175 -0.4611 -0.4528 -0.3094 -0.3082 0.0276 0.0468 0.4242 0.4256 0.9063 0.9212 1.0525 1.0527 1.8387 1.8404 2.7652 2.7667 2.8219 2.8219 3.0155 3.0375 3.0806 3.1023 3.3161 3.3162 3.9513 3.9524 8.0095 8.0842 9.8133 9.8359 10.7070 10.7123 12.0377 12.0403 12.3138 12.3140 k = 0.5313 0.3063 0.1764 ( 4106 PWs) bands (ev): -15.5447 -15.5430 -15.1002 -15.1001 -14.8976 -14.8967 -14.1276 -14.1274 -13.8245 -13.8237 -13.6529 -13.6523 -5.9951 -5.9950 -4.4410 -4.4318 -3.1185 -3.1115 -2.6295 -2.6287 -1.3555 -1.3541 -1.2536 -1.2191 -0.4694 -0.4586 -0.3153 -0.3137 0.0320 0.0573 0.4242 0.4261 0.9141 0.9340 1.0652 1.0654 1.8480 1.8502 2.7560 2.7580 2.8241 2.8242 3.0069 3.0285 3.0918 3.1132 3.3130 3.3131 3.9446 3.9461 8.0027 8.1023 9.8106 9.8407 10.7038 10.7113 12.0269 12.0305 12.3052 12.3055 k = 0.5391 0.2951 0.1764 ( 4112 PWs) bands (ev): -15.5511 -15.5491 -15.1011 -15.1010 -14.8918 -14.8908 -14.1289 -14.1287 -13.8218 -13.8208 -13.6518 -13.6511 -5.9931 -5.9929 -4.4451 -4.4337 -3.1163 -3.1078 -2.6286 -2.6276 -1.3669 -1.3652 -1.2645 -1.2222 -0.4793 -0.4664 -0.3223 -0.3206 0.0383 0.0695 0.4243 0.4265 0.9247 0.9495 1.0810 1.0811 1.8600 1.8626 2.7446 2.7468 2.8269 2.8271 2.9990 3.0200 3.1030 3.1239 3.3090 3.3091 3.9362 3.9379 7.9974 8.1220 9.8083 9.8457 10.7000 10.7099 12.0133 12.0181 12.2944 12.2947 k = 0.5469 0.2840 0.1764 ( 4108 PWs) bands (ev): -15.5589 -15.5565 -15.1022 -15.1021 -14.8848 -14.8837 -14.1304 -14.1301 -13.8184 -13.8173 -13.6505 -13.6497 -5.9906 -5.9904 -4.4498 -4.4364 -3.1134 -3.1037 -2.6276 -2.6264 -1.3805 -1.3786 -1.2763 -1.2267 -0.4907 -0.4759 -0.3302 -0.3284 0.0465 0.0834 0.4246 0.4271 0.9378 0.9674 1.0993 1.0994 1.8745 1.8776 2.7310 2.7335 2.8304 2.8306 2.9918 3.0120 3.1141 3.1344 3.3042 3.3043 3.9260 3.9280 7.9936 8.1430 9.8063 9.8511 10.6955 10.7082 11.9972 12.0032 12.2816 12.2819 k = 0.5547 0.2729 0.1764 ( 4110 PWs) bands (ev): -15.5677 -15.5651 -15.1036 -15.1035 -14.8768 -14.8755 -14.1320 -14.1317 -13.8146 -13.8133 -13.6489 -13.6480 -5.9876 -5.9874 -4.4550 -4.4397 -3.1100 -3.0993 -2.6265 -2.6253 -1.3963 -1.3941 -1.2887 -1.2323 -0.5034 -0.4869 -0.3388 -0.3371 0.0565 0.0988 0.4250 0.4278 0.9532 0.9877 1.1198 1.1199 1.8915 1.8951 2.7156 2.7183 2.8345 2.8347 2.9853 3.0046 3.1248 3.1445 3.2985 3.2987 3.9142 3.9165 7.9910 8.1654 9.8048 9.8568 10.6902 10.7062 11.9787 11.9860 12.2670 12.2673 k = 0.5625 0.2617 0.1764 ( 4110 PWs) bands (ev): -15.5777 -15.5748 -15.1052 -15.1051 -14.8676 -14.8663 -14.1337 -14.1334 -13.8103 -13.8088 -13.6472 -13.6461 -5.9841 -5.9838 -4.4608 -4.4438 -3.1060 -3.0945 -2.6256 -2.6242 -1.4140 -1.4117 -1.3014 -1.2388 -0.5170 -0.4991 -0.3478 -0.3464 0.0681 0.1153 0.4254 0.4285 0.9708 1.0100 1.1421 1.1422 1.9109 1.9149 2.6985 2.7014 2.8392 2.8395 2.9793 2.9976 3.1351 3.1542 3.2920 3.2922 3.9008 3.9034 7.9896 8.1890 9.8038 9.8628 10.6842 10.7041 11.9581 11.9669 12.2507 12.2510 k = 0.5704 0.2506 0.1764 ( 4104 PWs) bands (ev): -15.5887 -15.5855 -15.1071 -15.1070 -14.8575 -14.8561 -14.1354 -14.1352 -13.8055 -13.8039 -13.6451 -13.6440 -5.9800 -5.9797 -4.4672 -4.4485 -3.1015 -3.0896 -2.6249 -2.6234 -1.4336 -1.4311 -1.3142 -1.2459 -0.5313 -0.5123 -0.3570 -0.3559 0.0811 0.1329 0.4259 0.4292 0.9902 1.0341 1.1659 1.1660 1.9324 1.9369 2.6799 2.6830 2.8445 2.8448 2.9738 2.9911 3.1450 3.1634 3.2846 3.2848 3.8859 3.8888 7.9893 8.2135 9.8032 9.8692 10.6776 10.7019 11.9357 11.9460 12.2331 12.2333 k = 0.5782 0.2394 0.1764 ( 4106 PWs) bands (ev): -15.6007 -15.5973 -15.1093 -15.1091 -14.8464 -14.8450 -14.1371 -14.1369 -13.8004 -13.7987 -13.6429 -13.6417 -5.9754 -5.9751 -4.4740 -4.4539 -3.0966 -3.0845 -2.6245 -2.6229 -1.4548 -1.4521 -1.3269 -1.2535 -0.5459 -0.5261 -0.3661 -0.3656 0.0952 0.1512 0.4264 0.4298 1.0113 1.0597 1.1908 1.1909 1.9560 1.9608 2.6601 2.6634 2.8503 2.8507 2.9688 2.9849 3.1544 3.1722 3.2764 3.2767 3.8697 3.8729 7.9898 8.2389 9.8033 9.8758 10.6702 10.6997 11.9118 11.9236 12.2142 12.2144 k = 0.5860 0.2283 0.1764 ( 4112 PWs) bands (ev): -15.6135 -15.6099 -15.1117 -15.1115 -14.8345 -14.8332 -14.1387 -14.1385 -13.7949 -13.7931 -13.6405 -13.6392 -5.9702 -5.9699 -4.4814 -4.4600 -3.0913 -3.0794 -2.6246 -2.6228 -1.4775 -1.4748 -1.3391 -1.2612 -0.5607 -0.5402 -0.3752 -0.3750 0.1102 0.1702 0.4268 0.4303 1.0337 1.0866 1.2166 1.2166 1.9813 1.9865 2.6393 2.6429 2.8567 2.8572 2.9640 2.9790 3.1633 3.1803 3.2675 3.2677 3.8523 3.8556 7.9911 8.2649 9.8038 9.8827 10.6621 10.6976 11.8866 11.9000 12.1943 12.1945 k = 0.5938 0.2172 0.1764 ( 4112 PWs) bands (ev): -15.6270 -15.6233 -15.1144 -15.1142 -14.8218 -14.8206 -14.1402 -14.1400 -13.7891 -13.7872 -13.6379 -13.6365 -5.9644 -5.9640 -4.4892 -4.4667 -3.0858 -3.0744 -2.6252 -2.6234 -1.5015 -1.4987 -1.3508 -1.2689 -0.5753 -0.5542 -0.3845 -0.3835 0.1260 0.1896 0.4271 0.4307 1.0572 1.1146 1.2430 1.2430 2.0080 2.0136 2.6178 2.6216 2.8636 2.8642 2.9596 2.9734 3.1715 3.1879 3.2578 3.2580 3.8337 3.8372 7.9930 8.2913 9.8050 9.8898 10.6534 10.6959 11.8607 11.8754 12.1737 12.1738 k = 0.6016 0.2060 0.1764 ( 4116 PWs) bands (ev): -15.6413 -15.6375 -15.1175 -15.1173 -14.8084 -14.8073 -14.1415 -14.1412 -13.7831 -13.7810 -13.6351 -13.6337 -5.9580 -5.9576 -4.4975 -4.4741 -3.0800 -3.0695 -2.6265 -2.6246 -1.5267 -1.5239 -1.3616 -1.2762 -0.5894 -0.5677 -0.3934 -0.3915 0.1424 0.2091 0.4272 0.4309 1.0815 1.1432 1.2697 1.2699 2.0360 2.0418 2.5959 2.5999 2.8711 2.8717 2.9553 2.9681 3.1791 3.1948 3.2475 3.2477 3.8142 3.8178 7.9954 8.3180 9.8067 9.8971 10.6441 10.6945 11.8342 11.8502 12.1525 12.1525 k = 0.6094 0.1949 0.1764 ( 4110 PWs) bands (ev): -15.6562 -15.6523 -15.1208 -15.1206 -14.7943 -14.7933 -14.1425 -14.1423 -13.7769 -13.7747 -13.6322 -13.6307 -5.9509 -5.9504 -4.5062 -4.4820 -3.0742 -3.0648 -2.6285 -2.6266 -1.5529 -1.5501 -1.3714 -1.2831 -0.6027 -0.5806 -0.4016 -0.3988 0.1590 0.2287 0.4271 0.4308 1.1063 1.1723 1.2968 1.2971 2.0647 2.0709 2.5736 2.5780 2.8790 2.8798 2.9513 2.9629 3.1860 3.2009 3.2366 3.2368 3.7938 3.7976 7.9980 8.3446 9.8090 9.9045 10.6343 10.6936 11.8075 11.8246 12.1309 12.1310 k = 0.6173 0.1837 0.1764 ( 4100 PWs) bands (ev): -15.6717 -15.6677 -15.1246 -15.1243 -14.7796 -14.7788 -14.1433 -14.1431 -13.7704 -13.7682 -13.6290 -13.6276 -5.9431 -5.9426 -4.5153 -4.4905 -3.0682 -3.0605 -2.6315 -2.6295 -1.5800 -1.5772 -1.3800 -1.2894 -0.6151 -0.5926 -0.4091 -0.4054 0.1757 0.2482 0.4268 0.4306 1.1314 1.2017 1.3240 1.3244 2.0940 2.1003 2.5513 2.5560 2.8874 2.8883 2.9474 2.9579 3.1918 3.2056 3.2255 3.2261 3.7727 3.7766 8.0008 8.3710 9.8117 9.9119 10.6242 10.6934 11.7810 11.7989 12.1092 12.1092 k = 0.6251 0.1726 0.1764 ( 4092 PWs) bands (ev): -15.6878 -15.6837 -15.1286 -15.1283 -14.7643 -14.7637 -14.1437 -14.1435 -13.7639 -13.7616 -13.6258 -13.6243 -5.9347 -5.9341 -4.5248 -4.4996 -3.0623 -3.0565 -2.6354 -2.6334 -1.6078 -1.6051 -1.3874 -1.2948 -0.6264 -0.6035 -0.4158 -0.4110 0.1924 0.2674 0.4264 0.4301 1.1564 1.2309 1.3512 1.3518 2.1232 2.1298 2.5292 2.5342 2.8963 2.8973 2.9437 2.9531 3.1952 3.2052 3.2156 3.2193 3.7510 3.7550 8.0035 8.3969 9.8148 9.9192 10.6138 10.6940 11.7549 11.7733 12.0875 12.0876 k = 0.6329 0.1615 0.1764 ( 4086 PWs) bands (ev): -15.7042 -15.7001 -15.1330 -15.1327 -14.7485 -14.7481 -14.1438 -14.1436 -13.7572 -13.7548 -13.6224 -13.6210 -5.9255 -5.9249 -4.5346 -4.5092 -3.0565 -3.0530 -2.6403 -2.6383 -1.6362 -1.6336 -1.3934 -1.2994 -0.6364 -0.6131 -0.4214 -0.4156 0.2088 0.2861 0.4258 0.4296 1.1811 1.2598 1.3783 1.3792 2.1522 2.1590 2.5075 2.5128 2.9056 2.9068 2.9401 2.9484 3.1917 3.1956 3.2114 3.2206 3.7289 3.7330 8.0060 8.4220 9.8181 9.9261 10.6035 10.6954 11.7296 11.7481 12.0661 12.0661 k = 0.6407 0.1503 0.1764 ( 4078 PWs) bands (ev): -15.7211 -15.7170 -15.1378 -15.1375 -14.7323 -14.7321 -14.1434 -14.1432 -13.7504 -13.7480 -13.6190 -13.6175 -5.9156 -5.9150 -4.5448 -4.5192 -3.0509 -3.0499 -2.6462 -2.6443 -1.6650 -1.6626 -1.3980 -1.3029 -0.6450 -0.6213 -0.4259 -0.4191 0.2248 0.3043 0.4252 0.4289 1.2053 1.2881 1.4053 1.4064 2.1803 2.1874 2.4865 2.4920 2.9151 2.9165 2.9368 2.9440 3.1811 3.1828 3.2135 3.2240 3.7066 3.7107 8.0083 8.4461 9.8214 9.9327 10.5933 10.6979 11.7053 11.7235 12.0450 12.0450 k = 0.6485 0.1392 0.1764 ( 4076 PWs) bands (ev): -15.7383 -15.7342 -15.1430 -15.1426 -14.7156 -14.7155 -14.1426 -14.1425 -13.7436 -13.7412 -13.6154 -13.6140 -5.9050 -5.9044 -4.5553 -4.5298 -3.0474 -3.0454 -2.6533 -2.6514 -1.6943 -1.6920 -1.4011 -1.3054 -0.6521 -0.6281 -0.4293 -0.4213 0.2401 0.3219 0.4245 0.4283 1.2286 1.3157 1.4320 1.4335 2.2073 2.2146 2.4663 2.4720 2.9246 2.9259 2.9345 2.9403 3.1682 3.1692 3.2168 3.2273 3.6841 3.6882 8.0100 8.4689 9.8245 9.9387 10.5836 10.7016 11.6822 11.6997 12.0245 12.0246 k = 0.6563 0.1280 0.1764 ( 4086 PWs) bands (ev): -15.7559 -15.7518 -15.1485 -15.1481 -14.6987 -14.6984 -14.1414 -14.1413 -13.7368 -13.7343 -13.6118 -13.6105 -5.8936 -5.8930 -4.5661 -4.5408 -3.0453 -3.0402 -2.6615 -2.6597 -1.7238 -1.7217 -1.4028 -1.3067 -0.6579 -0.6336 -0.4314 -0.4223 0.2548 0.3386 0.4241 0.4278 1.2509 1.3422 1.4584 1.4602 2.2327 2.2401 2.4473 2.4531 2.9285 2.9308 2.9394 2.9401 3.1546 3.1551 3.2201 3.2303 3.6616 3.6658 8.0112 8.4902 9.8272 9.9439 10.5747 10.7064 11.6606 11.6770 12.0047 12.0048 k = 0.3437-0.4898 0.3469 ( 4086 PWs) bands (ev): -15.7559 -15.7518 -15.1485 -15.1481 -14.6987 -14.6984 -14.1414 -14.1413 -13.7368 -13.7343 -13.6118 -13.6105 -5.8936 -5.8930 -4.5661 -4.5408 -3.0453 -3.0402 -2.6615 -2.6597 -1.7238 -1.7217 -1.4028 -1.3067 -0.6579 -0.6336 -0.4314 -0.4223 0.2548 0.3386 0.4241 0.4278 1.2509 1.3422 1.4584 1.4602 2.2327 2.2401 2.4473 2.4531 2.9285 2.9308 2.9394 2.9401 3.1546 3.1551 3.2201 3.2303 3.6616 3.6658 8.0112 8.4902 9.8272 9.9439 10.5747 10.7064 11.6606 11.6770 12.0047 12.0048 k = 0.3358-0.4786 0.3469 ( 4086 PWs) bands (ev): -15.7737 -15.7696 -15.1544 -15.1540 -14.6815 -14.6809 -14.1397 -14.1396 -13.7300 -13.7274 -13.6082 -13.6069 -5.8815 -5.8808 -4.5771 -4.5521 -3.0438 -3.0354 -2.6707 -2.6690 -1.7535 -1.7515 -1.4030 -1.3070 -0.6622 -0.6376 -0.4322 -0.4219 0.2685 0.3543 0.4239 0.4276 1.2720 1.3674 1.4843 1.4865 2.2560 2.2636 2.4297 2.4354 2.9261 2.9291 2.9483 2.9497 3.1408 3.1410 3.2229 3.2327 3.6393 3.6435 8.0116 8.5098 9.8292 9.9483 10.5670 10.7124 11.6407 11.6554 11.9858 11.9860 k = 0.3280-0.4675 0.3469 ( 4086 PWs) bands (ev): -15.7916 -15.7876 -15.1607 -15.1603 -14.6640 -14.6631 -14.1375 -14.1374 -13.7232 -13.7206 -13.6045 -13.6033 -5.8686 -5.8679 -4.5884 -4.5638 -3.0428 -3.0308 -2.6810 -2.6794 -1.7833 -1.7815 -1.4018 -1.3062 -0.6652 -0.6403 -0.4315 -0.4200 0.2812 0.3690 0.4242 0.4279 1.2916 1.3912 1.5096 1.5123 2.2767 2.2847 2.4138 2.4193 2.9233 2.9255 2.9584 2.9606 3.1271 3.1274 3.2253 3.2346 3.6173 3.6216 8.0113 8.5274 9.8301 9.9516 10.5606 10.7195 11.6225 11.6353 11.9679 11.9682 k = 0.3202-0.4564 0.3469 ( 4090 PWs) bands (ev): -15.8098 -15.8058 -15.1673 -15.1669 -14.6462 -14.6450 -14.1349 -14.1348 -13.7164 -13.7138 -13.6008 -13.5997 -5.8549 -5.8542 -4.5999 -4.5758 -3.0423 -3.0266 -2.6923 -2.6907 -1.8131 -1.8115 -1.3992 -1.3043 -0.6670 -0.6419 -0.4295 -0.4167 0.2929 0.3823 0.4253 0.4288 1.3097 1.4134 1.5342 1.5374 2.2944 2.3026 2.4000 2.4052 2.9207 2.9219 2.9686 2.9714 3.1138 3.1146 3.2272 3.2360 3.5957 3.6001 8.0100 8.5428 9.8297 9.9539 10.5559 10.7277 11.6062 11.6167 11.9511 11.9515 k = 0.3124-0.4452 0.3469 ( 4088 PWs) bands (ev): -15.8281 -15.8241 -15.1743 -15.1738 -14.6281 -14.6266 -14.1317 -14.1316 -13.7097 -13.7071 -13.5971 -13.5961 -5.8405 -5.8398 -4.6116 -4.5881 -3.0423 -3.0227 -2.7045 -2.7030 -1.8428 -1.8414 -1.3954 -1.3014 -0.6676 -0.6424 -0.4259 -0.4118 0.3033 0.3941 0.4275 0.4305 1.3261 1.4339 1.5579 1.5617 2.3082 2.3168 2.3890 2.3936 2.9181 2.9184 2.9779 2.9816 3.1017 3.1032 3.2285 3.2369 3.5747 3.5791 8.0078 8.5558 9.8279 9.9551 10.5532 10.7369 11.5919 11.5997 11.9357 11.9362 k = 0.3046-0.4341 0.3469 ( 4092 PWs) bands (ev): -15.8464 -15.8426 -15.1816 -15.1811 -14.6098 -14.6079 -14.1280 -14.1280 -13.7030 -13.7004 -13.5934 -13.5925 -5.8253 -5.8246 -4.6235 -4.6007 -3.0427 -3.0191 -2.7175 -2.7162 -1.8724 -1.8711 -1.3904 -1.2976 -0.6673 -0.6420 -0.4208 -0.4054 0.3124 0.4039 0.4313 0.4331 1.3407 1.4526 1.5807 1.5851 2.3173 2.3262 2.3816 2.3855 2.9150 2.9158 2.9854 2.9901 3.0918 3.0943 3.2293 3.2373 3.5544 3.5589 8.0046 8.5663 9.8245 9.9551 10.5525 10.7466 11.5796 11.5846 11.9216 11.9222 k = 0.2968-0.4230 0.3469 ( 4086 PWs) bands (ev): -15.8649 -15.8610 -15.1892 -15.1887 -14.5913 -14.5891 -14.1239 -14.1238 -13.6965 -13.6939 -13.5898 -13.5890 -5.8094 -5.8086 -4.6355 -4.6134 -3.0435 -3.0160 -2.7313 -2.7301 -1.9018 -1.9007 -1.3843 -1.2929 -0.6662 -0.6409 -0.4143 -0.3973 0.3203 0.4118 0.4367 0.4369 1.3534 1.4695 1.6021 1.6073 2.3211 2.3301 2.3782 2.3816 2.9119 2.9136 2.9898 2.9955 3.0856 3.0890 3.2295 3.2372 3.5349 3.5394 8.0003 8.5740 9.8194 9.9539 10.5538 10.7568 11.5693 11.5715 11.9091 11.9098 k = 0.2890-0.4118 0.3469 ( 4084 PWs) bands (ev): -15.8833 -15.8795 -15.1971 -15.1966 -14.5725 -14.5700 -14.1193 -14.1192 -13.6900 -13.6874 -13.5862 -13.5856 -5.7928 -5.7920 -4.6475 -4.6263 -3.0446 -3.0131 -2.7457 -2.7447 -1.9311 -1.9301 -1.3773 -1.2874 -0.6645 -0.6393 -0.4062 -0.3877 0.3269 0.4182 0.4415 0.4438 1.3644 1.4845 1.6222 1.6281 2.3207 2.3290 2.3780 2.3813 2.9090 2.9117 2.9899 2.9963 3.0846 3.0887 3.2292 3.2366 3.5163 3.5209 7.9948 8.5788 9.8126 9.9516 10.5570 10.7669 11.5604 11.5611 11.8981 11.8990 k = 0.2812-0.4007 0.3469 ( 4084 PWs) bands (ev): -15.9017 -15.8980 -15.2054 -15.2049 -14.5536 -14.5508 -14.1142 -14.1142 -13.6837 -13.6811 -13.5827 -13.5823 -5.7754 -5.7746 -4.6597 -4.6394 -3.0460 -3.0106 -2.7607 -2.7598 -1.9600 -1.9591 -1.3695 -1.2812 -0.6624 -0.6373 -0.3967 -0.3766 0.3324 0.4239 0.4474 0.4512 1.3734 1.4977 1.6404 1.6473 2.3178 2.3254 2.3790 2.3824 2.9063 2.9100 2.9855 2.9921 3.0891 3.0933 3.2284 3.2356 3.4988 3.5035 7.9882 8.5807 9.8045 9.9483 10.5618 10.7767 11.5514 11.5549 11.8888 11.8898 k = 0.2734-0.3896 0.3469 ( 4088 PWs) bands (ev): -15.9200 -15.9164 -15.2138 -15.2133 -14.5346 -14.5314 -14.1087 -14.1087 -13.6775 -13.6749 -13.5793 -13.5791 -5.7574 -5.7566 -4.6719 -4.6525 -3.0476 -3.0084 -2.7761 -2.7753 -1.9886 -1.9878 -1.3609 -1.2745 -0.6600 -0.6352 -0.3859 -0.3639 0.3368 0.4297 0.4545 0.4588 1.3807 1.5092 1.6567 1.6647 2.3142 2.3210 2.3799 2.3832 2.9039 2.9085 2.9778 2.9841 3.0979 3.1019 3.2272 3.2341 3.4823 3.4871 7.9805 8.5794 9.7951 9.9440 10.5680 10.7857 11.5446 11.5507 11.8813 11.8824 k = 0.2656-0.3785 0.3469 ( 4092 PWs) bands (ev): -15.9383 -15.9348 -15.2226 -15.2220 -14.5155 -14.5120 -14.1027 -14.1027 -13.6715 -13.6689 -13.5760 -13.5760 -5.7387 -5.7379 -4.6841 -4.6656 -3.0494 -3.0064 -2.7919 -2.7912 -2.0168 -2.0162 -1.3517 -1.2672 -0.6575 -0.6330 -0.3737 -0.3499 0.3403 0.4356 0.4629 0.4664 1.3863 1.5189 1.6705 1.6798 2.3108 2.3168 2.3800 2.3830 2.9018 2.9073 2.9679 2.9737 3.1093 3.1130 3.2254 3.2322 3.4670 3.4719 7.9716 8.5750 9.7848 9.9388 10.5751 10.7936 11.5400 11.5483 11.8754 11.8767 k = 0.2577-0.3673 0.3469 ( 4094 PWs) bands (ev): -15.9564 -15.9530 -15.2315 -15.2309 -14.4963 -14.4925 -14.0964 -14.0963 -13.6656 -13.6631 -13.5730 -13.5729 -5.7195 -5.7187 -4.6963 -4.6788 -3.0513 -3.0047 -2.8079 -2.8074 -2.0445 -2.0440 -1.3420 -1.2594 -0.6550 -0.6309 -0.3602 -0.3345 0.3429 0.4415 0.4724 0.4743 1.3902 1.5271 1.6817 1.6925 2.3080 2.3132 2.3791 2.3818 2.8998 2.9062 2.9567 2.9621 3.1221 3.1255 3.2232 3.2300 3.4529 3.4580 7.9616 8.5675 9.7738 9.9329 10.5828 10.7999 11.5375 11.5477 11.8714 11.8728 k = 0.2499-0.3562 0.3469 ( 4094 PWs) bands (ev): -15.9743 -15.9710 -15.2406 -15.2400 -14.4770 -14.4729 -14.0896 -14.0896 -13.6599 -13.6574 -13.5702 -13.5699 -5.6996 -5.6988 -4.7084 -4.6919 -3.0533 -3.0032 -2.8240 -2.8237 -2.0719 -2.0714 -1.3319 -1.2513 -0.6526 -0.6289 -0.3457 -0.3179 0.3449 0.4471 0.4829 0.4833 1.3927 1.5339 1.6898 1.7023 2.3059 2.3103 2.3775 2.3797 2.8980 2.9054 2.9450 2.9498 3.1355 3.1388 3.2207 3.2275 3.4401 3.4455 7.9505 8.5568 9.7625 9.9262 10.5905 10.8045 11.5369 11.5487 11.8691 11.8707 k = 0.2421-0.3451 0.3469 ( 4090 PWs) bands (ev): -15.9920 -15.9888 -15.2498 -15.2492 -14.4577 -14.4533 -14.0826 -14.0825 -13.6544 -13.6519 -13.5676 -13.5670 -5.6792 -5.6784 -4.7205 -4.7049 -3.0552 -3.0020 -2.8402 -2.8401 -2.0987 -2.0983 -1.3214 -1.2429 -0.6504 -0.6272 -0.3303 -0.3003 0.3463 0.4517 0.4928 0.4953 1.3936 1.5393 1.6944 1.7090 2.3045 2.3082 2.3756 2.3772 2.8961 2.9047 2.9331 2.9371 3.1490 3.1523 3.2178 3.2247 3.4287 3.4342 7.9384 8.5429 9.7511 9.9190 10.5979 10.8071 11.5380 11.5510 11.8687 11.8704 k = 0.2343-0.3339 0.3469 ( 4088 PWs) bands (ev): -16.0095 -16.0064 -15.2592 -15.2586 -14.4385 -14.4337 -14.0752 -14.0751 -13.6490 -13.6466 -13.5651 -13.5644 -5.6583 -5.6575 -4.7324 -4.7179 -3.0571 -3.0009 -2.8564 -2.8564 -2.1249 -2.1246 -1.3107 -1.2342 -0.6484 -0.6257 -0.3141 -0.2819 0.3471 0.4552 0.5044 0.5086 1.3933 1.5434 1.6954 1.7123 2.3037 2.3068 2.3739 2.3748 2.8938 2.9041 2.9217 2.9243 3.1622 3.1656 3.2146 3.2219 3.4187 3.4244 7.9253 8.5261 9.7398 9.9112 10.6046 10.8076 11.5404 11.5542 11.8699 11.8718 k = 0.2265-0.3228 0.3469 ( 4080 PWs) bands (ev): -16.0268 -16.0238 -15.2686 -15.2680 -14.4192 -14.4142 -14.0675 -14.0674 -13.6439 -13.6415 -13.5629 -13.5619 -5.6370 -5.6362 -4.7442 -4.7306 -3.0590 -3.0000 -2.8727 -2.8725 -2.1506 -2.1503 -1.2997 -1.2254 -0.6466 -0.6244 -0.2974 -0.2627 0.3477 0.4575 0.5176 0.5231 1.3916 1.5463 1.6924 1.7119 2.3035 2.3061 2.3728 2.3730 2.8900 2.9028 2.9118 2.9121 3.1745 3.1783 3.2115 3.2193 3.4102 3.4160 7.9112 8.5063 9.7289 9.9030 10.6105 10.8060 11.5438 11.5582 11.8728 11.8750 k = 0.2187-0.3117 0.3469 ( 4078 PWs) bands (ev): -16.0437 -16.0408 -15.2781 -15.2775 -14.4000 -14.3947 -14.0595 -14.0595 -13.6389 -13.6366 -13.5608 -13.5596 -5.6153 -5.6145 -4.7559 -4.7432 -3.0607 -2.9992 -2.8888 -2.8884 -2.1758 -2.1755 -1.2886 -1.2163 -0.6450 -0.6232 -0.2804 -0.2432 0.3481 0.4588 0.5324 0.5386 1.3887 1.5480 1.6855 1.7079 2.3036 2.3058 2.3721 2.3727 2.8828 2.8953 2.9054 2.9061 3.1852 3.1894 3.2090 3.2176 3.4031 3.4091 7.8964 8.4839 9.7185 9.8944 10.6152 10.8024 11.5477 11.5624 11.8774 11.8797 k = 0.2109-0.3005 0.3469 ( 4076 PWs) bands (ev): -16.0604 -16.0575 -15.2876 -15.2870 -14.3809 -14.3754 -14.0514 -14.0513 -13.6342 -13.6319 -13.5590 -13.5576 -5.5934 -5.5926 -4.7673 -4.7556 -3.0622 -2.9985 -2.9048 -2.9042 -2.2003 -2.1999 -1.2774 -1.2072 -0.6435 -0.6222 -0.2634 -0.2234 0.3485 0.4593 0.5486 0.5551 1.3846 1.5484 1.6749 1.7002 2.3039 2.3059 2.3726 2.3741 2.8722 2.8825 2.9025 2.9054 3.1923 3.1955 3.2107 3.2184 3.3975 3.4036 7.8808 8.4589 9.7086 9.8854 10.6187 10.7970 11.5518 11.5665 11.8834 11.8859 k = 0.2031-0.2894 0.3469 ( 4080 PWs) bands (ev): -16.0766 -16.0739 -15.2971 -15.2965 -14.3620 -14.3562 -14.0430 -14.0430 -13.6297 -13.6275 -13.5574 -13.5558 -5.5711 -5.5703 -4.7786 -4.7678 -3.0636 -2.9979 -2.9204 -2.9196 -2.2241 -2.2238 -1.2661 -1.1980 -0.6419 -0.6210 -0.2467 -0.2038 0.3491 0.4593 0.5657 0.5724 1.3791 1.5471 1.6610 1.6892 2.3043 2.3061 2.3746 2.3770 2.8599 2.8689 2.9014 2.9055 3.1943 3.1944 3.2185 3.2232 3.3934 3.3995 7.8646 8.4317 9.6993 9.8762 10.6210 10.7898 11.5555 11.5701 11.8908 11.8935 k = 0.1953-0.2783 0.3469 ( 4078 PWs) bands (ev): -16.0925 -16.0899 -15.3066 -15.3060 -14.3432 -14.3371 -14.0345 -14.0345 -13.6254 -13.6232 -13.5560 -13.5542 -5.5487 -5.5479 -4.7895 -4.7796 -3.0648 -2.9975 -2.9358 -2.9348 -2.2473 -2.2469 -1.2548 -1.1887 -0.6403 -0.6197 -0.2305 -0.1845 0.3503 0.4590 0.5837 0.5903 1.3722 1.5436 1.6447 1.6753 2.3047 2.3064 2.3784 2.3817 2.8469 2.8550 2.9013 2.9059 3.1905 3.1927 3.2277 3.2307 3.3908 3.3969 7.8478 8.4024 9.6907 9.8667 10.6221 10.7812 11.5585 11.5729 11.8995 11.9023 k = 0.1875-0.2671 0.3469 ( 4090 PWs) bands (ev): -16.1081 -16.1056 -15.3160 -15.3154 -14.3246 -14.3183 -14.0259 -14.0259 -13.6213 -13.6192 -13.5548 -13.5528 -5.5262 -5.5254 -4.8002 -4.7912 -3.0657 -2.9971 -2.9508 -2.9495 -2.2697 -2.2694 -1.2435 -1.1793 -0.6384 -0.6182 -0.2152 -0.1660 0.3521 0.4587 0.6021 0.6085 1.3636 1.5367 1.6276 1.6590 2.3049 2.3067 2.3839 2.3880 2.8335 2.8410 2.9016 2.9064 3.1860 3.1893 3.2363 3.2388 3.3897 3.3957 7.8307 8.3713 9.6826 9.8570 10.6220 10.7714 11.5604 11.5746 11.9092 11.9122 k = 0.1796-0.2560 0.3469 ( 4092 PWs) bands (ev): -16.1231 -16.1207 -15.3252 -15.3246 -14.3062 -14.2997 -14.0173 -14.0172 -13.6174 -13.6154 -13.5539 -13.5517 -5.5036 -5.5029 -4.8107 -4.8024 -3.0665 -2.9969 -2.9654 -2.9639 -2.2915 -2.2911 -1.2321 -1.1700 -0.6360 -0.6161 -0.2011 -0.1484 0.3549 0.4587 0.6207 0.6267 1.3533 1.5248 1.6117 1.6410 2.3049 2.3070 2.3909 2.3958 2.8199 2.8271 2.9023 2.9071 3.1811 3.1852 3.2441 3.2464 3.3900 3.3959 7.8133 8.3386 9.6752 9.8471 10.6208 10.7605 11.5612 11.5749 11.9199 11.9231 k = 0.1718-0.2449 0.3469 ( 4090 PWs) bands (ev): -16.1377 -16.1355 -15.3344 -15.3338 -14.2881 -14.2815 -14.0086 -14.0085 -13.6138 -13.6119 -13.5532 -13.5508 -5.4811 -5.4803 -4.8208 -4.8133 -3.0671 -2.9971 -2.9793 -2.9778 -2.3125 -2.3121 -1.2208 -1.1606 -0.6331 -0.6135 -0.1883 -0.1320 0.3588 0.4591 0.6391 0.6446 1.3410 1.5067 1.5990 1.6223 2.3049 2.3071 2.3992 2.4047 2.8064 2.8132 2.9033 2.9079 3.1761 3.1807 3.2509 3.2533 3.3917 3.3973 7.7957 8.3047 9.6683 9.8371 10.6186 10.7489 11.5606 11.5736 11.9314 11.9347 k = 0.1640-0.2337 0.3469 ( 4092 PWs) bands (ev): -16.1519 -16.1497 -15.3433 -15.3427 -14.2702 -14.2635 -13.9999 -13.9998 -13.6104 -13.6085 -13.5528 -13.5502 -5.4586 -5.4579 -4.8305 -4.8238 -3.0676 -2.9989 -2.9912 -2.9912 -2.3328 -2.3323 -1.2096 -1.1513 -0.6295 -0.6101 -0.1770 -0.1173 0.3640 0.4602 0.6569 0.6619 1.3266 1.4826 1.5898 1.6036 2.3047 2.3072 2.4085 2.4145 2.7931 2.7994 2.9045 2.9087 3.1710 3.1759 3.2566 3.2593 3.3946 3.3999 7.7781 8.2697 9.6620 9.8269 10.6156 10.7367 11.5584 11.5708 11.9436 11.9469 k = 0.1562-0.2226 0.3469 ( 4092 PWs) bands (ev): -16.1655 -16.1634 -15.3520 -15.3515 -14.2528 -14.2459 -13.9913 -13.9912 -13.6072 -13.6054 -13.5525 -13.5498 -5.4364 -5.4357 -4.8399 -4.8339 -3.0679 -3.0087 -3.0040 -2.9949 -2.3523 -2.3518 -1.1984 -1.1420 -0.6251 -0.6058 -0.1675 -0.1042 0.3705 0.4621 0.6736 0.6781 1.3100 1.4541 1.5830 1.5858 2.3045 2.3072 2.4185 2.4249 2.7800 2.7859 2.9059 2.9097 3.1658 3.1710 3.2614 3.2646 3.3986 3.4035 7.7607 8.2339 9.6561 9.8166 10.6119 10.7241 11.5548 11.5664 11.9563 11.9597 k = 0.1484-0.2115 0.3469 ( 4088 PWs) bands (ev): -16.1786 -16.1767 -15.3605 -15.3600 -14.2356 -14.2288 -13.9827 -13.9826 -13.6042 -13.6026 -13.5525 -13.5497 -5.4145 -5.4138 -4.8490 -4.8436 -3.0684 -3.0212 -3.0160 -2.9954 -2.3711 -2.3704 -1.1873 -1.1327 -0.6196 -0.6006 -0.1597 -0.0932 0.3784 0.4650 0.6888 0.6928 1.2914 1.4231 1.5693 1.5778 2.3043 2.3072 2.4288 2.4355 2.7673 2.7728 2.9074 2.9107 3.1606 3.1660 3.2655 3.2690 3.4035 3.4080 7.7435 8.1976 9.6507 9.8062 10.6076 10.7114 11.5498 11.5605 11.9693 11.9727 k = 0.1406-0.2004 0.3469 ( 4088 PWs) bands (ev): -16.1912 -16.1893 -15.3688 -15.3683 -14.2190 -14.2120 -13.9743 -13.9742 -13.6015 -13.5999 -13.5527 -13.5498 -5.3929 -5.3923 -4.8576 -4.8528 -3.0691 -3.0337 -3.0270 -2.9956 -2.3890 -2.3883 -1.1763 -1.1236 -0.6131 -0.5942 -0.1536 -0.0842 0.3875 0.4689 0.7019 0.7053 1.2712 1.3910 1.5547 1.5734 2.3040 2.3071 2.4392 2.4460 2.7552 2.7603 2.9091 2.9119 3.1553 3.1610 3.2689 3.2728 3.4090 3.4131 7.7268 8.1610 9.6457 9.7957 10.6029 10.6986 11.5435 11.5532 11.9826 11.9860 k = 0.1328-0.1892 0.3469 ( 4084 PWs) bands (ev): -16.2032 -16.2014 -15.3767 -15.3762 -14.2027 -14.1958 -13.9660 -13.9659 -13.5990 -13.5975 -13.5531 -13.5501 -5.3718 -5.3712 -4.8659 -4.8616 -3.0707 -3.0458 -3.0364 -2.9958 -2.4061 -2.4054 -1.1654 -1.1147 -0.6053 -0.5866 -0.1491 -0.0773 0.3977 0.4737 0.7122 0.7152 1.2503 1.3591 1.5421 1.5693 2.3038 2.3070 2.4494 2.4562 2.7438 2.7484 2.9110 2.9131 3.1501 3.1559 3.2717 3.2761 3.4150 3.4187 7.7106 8.1242 9.6411 9.7852 10.5979 10.6859 11.5360 11.5447 11.9960 11.9994 k = 0.1250-0.1781 0.3469 ( 4080 PWs) bands (ev): -16.2146 -16.2130 -15.3844 -15.3839 -14.1870 -14.1801 -13.9580 -13.9579 -13.5967 -13.5953 -13.5537 -13.5506 -5.3512 -5.3507 -4.8737 -4.8700 -3.0740 -3.0574 -3.0434 -2.9961 -2.4223 -2.4216 -1.1546 -1.1059 -0.5963 -0.5778 -0.1461 -0.0725 0.4089 0.4794 0.7189 0.7217 1.2297 1.3286 1.5315 1.5654 2.3036 2.3069 2.4591 2.4657 2.7332 2.7373 2.9130 2.9143 3.1450 3.1509 3.2741 3.2788 3.4214 3.4247 7.6951 8.0876 9.6370 9.7747 10.5927 10.6734 11.5276 11.5352 12.0094 12.0127 k = 0.1172-0.1670 0.3469 ( 4074 PWs) bands (ev): -16.2254 -16.2239 -15.3917 -15.3912 -14.1718 -14.1651 -13.9502 -13.9501 -13.5946 -13.5934 -13.5545 -13.5514 -5.3313 -5.3308 -4.8811 -4.8779 -3.0795 -3.0685 -3.0475 -2.9965 -2.4377 -2.4370 -1.1440 -1.0974 -0.5860 -0.5677 -0.1443 -0.0697 0.4207 0.4858 0.7215 0.7243 1.2104 1.3003 1.5229 1.5615 2.3034 2.3067 2.4680 2.4744 2.7237 2.7272 2.9150 2.9157 3.1399 3.1459 3.2762 3.2811 3.4280 3.4309 7.6805 8.0512 9.6332 9.7642 10.5875 10.6612 11.5184 11.5249 12.0227 12.0260 k = 0.1093-0.1558 0.3469 ( 4072 PWs) bands (ev): -16.2356 -16.2342 -15.3986 -15.3982 -14.1573 -14.1506 -13.9427 -13.9425 -13.5927 -13.5916 -13.5554 -13.5523 -5.3121 -5.3116 -4.8881 -4.8853 -3.0867 -3.0792 -3.0490 -2.9971 -2.4523 -2.4515 -1.1337 -1.0891 -0.5744 -0.5563 -0.1435 -0.0687 0.4328 0.4927 0.7192 0.7224 1.1936 1.2752 1.5159 1.5576 2.3033 2.3066 2.4760 2.4819 2.7154 2.7183 2.9172 2.9172 3.1350 3.1410 3.2779 3.2831 3.4346 3.4372 7.6669 8.0153 9.6299 9.7538 10.5823 10.6494 11.5086 11.5142 12.0359 12.0390 k = 0.1015-0.1447 0.3469 ( 4078 PWs) bands (ev): -16.2452 -16.2438 -15.4052 -15.4047 -14.1434 -14.1369 -13.9354 -13.9353 -13.5910 -13.5900 -13.5564 -13.5533 -5.2938 -5.2933 -4.8946 -4.8922 -3.0949 -3.0893 -3.0490 -2.9977 -2.4659 -2.4651 -1.1236 -1.0812 -0.5615 -0.5436 -0.1435 -0.0694 0.4451 0.4998 0.7117 0.7157 1.1800 1.2539 1.5105 1.5538 2.3032 2.3064 2.4827 2.4881 2.7085 2.7107 2.9187 2.9194 3.1302 3.1363 3.2795 3.2848 3.4413 3.4435 7.6544 7.9801 9.6269 9.7434 10.5772 10.6381 11.4985 11.5031 12.0487 12.0517 k = 0.0937-0.1336 0.3469 ( 4078 PWs) bands (ev): -16.2541 -16.2529 -15.4113 -15.4109 -14.1301 -14.1239 -13.9286 -13.9285 -13.5895 -13.5887 -13.5576 -13.5545 -5.2764 -5.2759 -4.9007 -4.8986 -3.1032 -3.0989 -3.0480 -2.9985 -2.4786 -2.4778 -1.1137 -1.0737 -0.5473 -0.5298 -0.1440 -0.0716 0.4571 0.5069 0.6991 0.7041 1.1703 1.2368 1.5064 1.5499 2.3032 2.3063 2.4880 2.4928 2.7030 2.7046 2.9203 2.9216 3.1255 3.1316 3.2809 3.2862 3.4478 3.4498 7.6432 7.9457 9.6244 9.7332 10.5723 10.6274 11.4883 11.4920 12.0612 12.0641 k = 0.0859-0.1224 0.3469 ( 4082 PWs) bands (ev): -16.2623 -16.2612 -15.4170 -15.4167 -14.1177 -14.1117 -13.9221 -13.9220 -13.5882 -13.5875 -13.5588 -13.5559 -5.2599 -5.2595 -4.9063 -4.9045 -3.1113 -3.1079 -3.0464 -2.9994 -2.4904 -2.4896 -1.1042 -1.0667 -0.5321 -0.5149 -0.1449 -0.0750 0.4686 0.5136 0.6819 0.6881 1.1645 1.2239 1.5035 1.5462 2.3032 2.3061 2.4919 2.4960 2.6990 2.6999 2.9220 2.9238 3.1211 3.1271 3.2822 3.2874 3.4541 3.4558 7.6335 7.9124 9.6224 9.7232 10.5677 10.6172 11.4781 11.4811 12.0732 12.0759 k = 0.0781-0.1113 0.3469 ( 4080 PWs) bands (ev): -16.2699 -16.2689 -15.4223 -15.4220 -14.1060 -14.1003 -13.9161 -13.9160 -13.5870 -13.5864 -13.5600 -13.5572 -5.2446 -5.2442 -4.9114 -4.9100 -3.1191 -3.1162 -3.0445 -3.0004 -2.5013 -2.5005 -1.0951 -1.0602 -0.5159 -0.4992 -0.1459 -0.0794 0.4792 0.5197 0.6611 0.6684 1.1620 1.2148 1.5015 1.5424 2.3032 2.3059 2.4944 2.4978 2.6964 2.6966 2.9237 2.9260 3.1170 3.1227 3.2833 3.2884 3.4601 3.4616 7.6253 7.8802 9.6209 9.7134 10.5635 10.6077 11.4683 11.4705 12.0846 12.0871 k = 0.0703-0.1002 0.3469 ( 4078 PWs) bands (ev): -16.2768 -16.2759 -15.4272 -15.4268 -14.0952 -14.0899 -13.9105 -13.9104 -13.5860 -13.5856 -13.5612 -13.5587 -5.2304 -5.2301 -4.9161 -4.9149 -3.1263 -3.1239 -3.0423 -3.0016 -2.5111 -2.5104 -1.0865 -1.0543 -0.4990 -0.4830 -0.1468 -0.0845 0.4885 0.5245 0.6382 0.6463 1.1625 1.2089 1.5004 1.5388 2.3033 2.3058 2.4956 2.4983 2.6947 2.6950 2.9254 2.9281 3.1131 3.1187 3.2844 3.2892 3.4658 3.4671 7.6187 7.8493 9.6198 9.7039 10.5597 10.5988 11.4588 11.4605 12.0954 12.0977 k = 0.0625-0.0890 0.3469 ( 4076 PWs) bands (ev): -16.2830 -16.2821 -15.4315 -15.4312 -14.0853 -14.0804 -13.9054 -13.9053 -13.5851 -13.5848 -13.5624 -13.5601 -5.2175 -5.2172 -4.9203 -4.9193 -3.1330 -3.1310 -3.0400 -3.0030 -2.5200 -2.5193 -1.0783 -1.0491 -0.4817 -0.4664 -0.1475 -0.0903 0.4960 0.5271 0.6151 0.6233 1.1650 1.2056 1.5001 1.5353 2.3033 2.3056 2.4957 2.4978 2.6940 2.6947 2.9272 2.9300 3.1096 3.1148 3.2853 3.2899 3.4711 3.4722 7.6140 7.8198 9.6194 9.6947 10.5564 10.5906 11.4499 11.4512 12.1055 12.1075 k = 0.0547-0.0779 0.3469 ( 4072 PWs) bands (ev): -16.2884 -16.2877 -15.4354 -15.4351 -14.0763 -14.0719 -13.9008 -13.9007 -13.5844 -13.5842 -13.5636 -13.5615 -5.2058 -5.2056 -4.9240 -4.9231 -3.1390 -3.1373 -3.0374 -3.0045 -2.5279 -2.5272 -1.0706 -1.0446 -0.4643 -0.4500 -0.1478 -0.0964 0.5006 0.5260 0.5947 0.6014 1.1691 1.2040 1.5003 1.5319 2.3034 2.3054 2.4949 2.4965 2.6941 2.6951 2.9289 2.9318 3.1064 3.1112 3.2862 3.2904 3.4759 3.4769 7.6111 7.7919 9.6194 9.6858 10.5535 10.5831 11.4418 11.4426 12.1146 12.1165 k = 0.0469-0.0668 0.3469 ( 4072 PWs) bands (ev): -16.2932 -16.2926 -15.4388 -15.4386 -14.0684 -14.0645 -13.8968 -13.8967 -13.5838 -13.5837 -13.5646 -13.5628 -5.1956 -5.1954 -4.9272 -4.9265 -3.1442 -3.1429 -3.0349 -3.0062 -2.5347 -2.5341 -1.0636 -1.0409 -0.4473 -0.4342 -0.1478 -0.1027 0.5009 0.5185 0.5805 0.5834 1.1740 1.2035 1.5011 1.5287 2.3035 2.3052 2.4936 2.4947 2.6949 2.6960 2.9306 2.9334 3.1036 3.1080 3.2870 3.2907 3.4802 3.4810 7.6102 7.7657 9.6201 9.6774 10.5513 10.5763 11.4345 11.4350 12.1228 12.1244 k = 0.0391-0.0557 0.3469 ( 4064 PWs) bands (ev): -16.2972 -16.2967 -15.4416 -15.4415 -14.0615 -14.0582 -13.8934 -13.8933 -13.5834 -13.5834 -13.5655 -13.5640 -5.1868 -5.1867 -4.9299 -4.9294 -3.1488 -3.1476 -3.0322 -3.0080 -2.5405 -2.5400 -1.0572 -1.0380 -0.4311 -0.4195 -0.1472 -0.1090 0.4951 0.5047 0.5717 0.5736 1.1792 1.2036 1.5023 1.5256 2.3036 2.3051 2.4919 2.4928 2.6960 2.6972 2.9321 2.9348 3.1013 3.1051 3.2877 3.2909 3.4839 3.4846 7.6113 7.7413 9.6214 9.6694 10.5496 10.5703 11.4282 11.4285 12.1300 12.1314 k = 0.0312-0.0445 0.3469 ( 4070 PWs) bands (ev): -16.3005 -16.3001 -15.4440 -15.4439 -14.0558 -14.0531 -13.8905 -13.8905 -13.5831 -13.5830 -13.5663 -13.5651 -5.1796 -5.1795 -4.9321 -4.9317 -3.1525 -3.1516 -3.0295 -3.0099 -2.5453 -2.5449 -1.0515 -1.0359 -0.4164 -0.4066 -0.1461 -0.1151 0.4844 0.4884 0.5666 0.5711 1.1845 1.2039 1.5038 1.5227 2.3037 2.3049 2.4902 2.4908 2.6973 2.6984 2.9335 2.9359 3.0994 3.1026 3.2884 3.2910 3.4871 3.4876 7.6145 7.7188 9.6234 9.6619 10.5485 10.5650 11.4228 11.4230 12.1361 12.1371 k = 0.0234-0.0334 0.3469 ( 4070 PWs) bands (ev): -16.3030 -16.3027 -15.4458 -15.4457 -14.0512 -14.0491 -13.8883 -13.8882 -13.5828 -13.5828 -13.5668 -13.5659 -5.1739 -5.1738 -4.9338 -4.9336 -3.1554 -3.1548 -3.0268 -3.0120 -2.5490 -2.5487 -1.0465 -1.0348 -0.4038 -0.3960 -0.1444 -0.1209 0.4720 0.4733 0.5656 0.5704 1.1894 1.2038 1.5056 1.5199 2.3038 2.3047 2.4887 2.4891 2.6985 2.6994 2.9348 2.9366 3.0981 3.1005 3.2890 3.2910 3.4896 3.4900 7.6199 7.6983 9.6259 9.6550 10.5481 10.5604 11.4186 11.4187 12.1409 12.1417 k = 0.0156-0.0223 0.3469 ( 4066 PWs) bands (ev): -16.3048 -16.3046 -15.4472 -15.4471 -14.0477 -14.0464 -13.8867 -13.8866 -13.5827 -13.5826 -13.5672 -13.5666 -5.1698 -5.1697 -4.9351 -4.9349 -3.1575 -3.1571 -3.0242 -3.0143 -2.5516 -2.5514 -1.0424 -1.0345 -0.3938 -0.3884 -0.1421 -0.1263 0.4612 0.4614 0.5664 0.5700 1.1937 1.2033 1.5077 1.5172 2.3040 2.3046 2.4875 2.4878 2.6996 2.7002 2.9358 2.9371 3.0972 3.0988 3.2895 3.2909 3.4914 3.4917 7.6275 7.6798 9.6292 9.6486 10.5484 10.5565 11.4156 11.4156 12.1444 12.1450 k = 0.0078-0.0111 0.3469 ( 4066 PWs) bands (ev): -16.3059 -16.3058 -15.4479 -15.4479 -14.0455 -14.0448 -13.8857 -13.8857 -13.5826 -13.5825 -13.5674 -13.5671 -5.1673 -5.1673 -4.9358 -4.9357 -3.1587 -3.1585 -3.0216 -3.0166 -2.5532 -2.5531 -1.0391 -1.0351 -0.3869 -0.3842 -0.1391 -0.1312 0.4539 0.4540 0.5676 0.5696 1.1973 1.2021 1.5099 1.5146 2.3041 2.3044 2.4868 2.4869 2.7003 2.7006 2.9366 2.9372 3.0968 3.0977 3.2900 3.2907 3.4925 3.4926 7.6373 7.6635 9.6331 9.6428 10.5494 10.5534 11.4137 11.4137 12.1466 12.1469 k = 0.0000 0.0000 0.3469 ( 4066 PWs) bands (ev): -16.3062 -16.3062 -15.4482 -15.4482 -14.0446 -14.0446 -13.8853 -13.8853 -13.5825 -13.5825 -13.5674 -13.5674 -5.1665 -5.1665 -4.9360 -4.9360 -3.1590 -3.1590 -3.0191 -3.0191 -2.5536 -2.5536 -1.0367 -1.0367 -0.3837 -0.3837 -0.1355 -0.1355 0.4514 0.4514 0.5687 0.5687 1.2001 1.2001 1.5122 1.5122 2.3043 2.3043 2.4865 2.4865 2.7007 2.7007 2.9371 2.9371 3.0970 3.0970 3.2904 3.2904 3.4929 3.4929 7.6493 7.6493 9.6376 9.6376 10.5511 10.5511 11.4131 11.4131 12.1475 12.1475 k = 0.0000 0.0000 0.3469 ( 4066 PWs) bands (ev): -16.3062 -16.3062 -15.4482 -15.4482 -14.0446 -14.0446 -13.8853 -13.8853 -13.5825 -13.5825 -13.5674 -13.5674 -5.1665 -5.1665 -4.9360 -4.9360 -3.1590 -3.1590 -3.0191 -3.0191 -2.5536 -2.5536 -1.0367 -1.0367 -0.3837 -0.3837 -0.1355 -0.1355 0.4514 0.4514 0.5687 0.5687 1.2001 1.2001 1.5122 1.5122 2.3043 2.3043 2.4865 2.4865 2.7007 2.7007 2.9371 2.9371 3.0970 3.0970 3.2904 3.2904 3.4929 3.4929 7.6493 7.6493 9.6376 9.6376 10.5511 10.5511 11.4131 11.4131 12.1475 12.1475 k = 0.0112 0.0079 0.3469 ( 4066 PWs) bands (ev): -16.3057 -16.3056 -15.4481 -15.4475 -14.0453 -14.0450 -13.8857 -13.8853 -13.5912 -13.5850 -13.5651 -13.5596 -5.1692 -5.1670 -4.9354 -4.9353 -3.1608 -3.1569 -3.0182 -3.0149 -2.5565 -2.5518 -1.0408 -1.0357 -0.3955 -0.3761 -0.1426 -0.1261 0.4396 0.4632 0.5579 0.5827 1.1983 1.2040 1.5124 1.5160 2.3029 2.3037 2.4860 2.4863 2.6971 2.6986 2.9362 2.9379 3.0939 3.0986 3.2878 3.2952 3.4926 3.4929 7.6388 7.6623 9.6230 9.6528 10.5450 10.5571 11.4132 11.4148 12.1438 12.1523 k = 0.0224 0.0157 0.3469 ( 4072 PWs) bands (ev): -16.3040 -16.3039 -15.4473 -15.4460 -14.0472 -14.0467 -13.8864 -13.8857 -13.6023 -13.5950 -13.5565 -13.5506 -5.1749 -5.1707 -4.9334 -4.9332 -3.1619 -3.1544 -3.0122 -3.0060 -2.5603 -2.5509 -1.0481 -1.0380 -0.4107 -0.3733 -0.1468 -0.1151 0.4285 0.4733 0.5517 0.5988 1.1986 1.2098 1.5166 1.5238 2.2996 2.3012 2.4846 2.4852 2.6882 2.6911 2.9354 2.9387 3.0894 3.0986 3.2876 3.3021 3.4920 3.4926 7.6308 7.6778 9.6090 9.6685 10.5389 10.5632 11.4151 11.4183 12.1414 12.1584 k = 0.0336 0.0236 0.3469 ( 4073 PWs) bands (ev): -16.3011 -16.3009 -15.4458 -15.4438 -14.0502 -14.0494 -13.8876 -13.8866 -13.6141 -13.6063 -13.5476 -13.5419 -5.1837 -5.1774 -4.9301 -4.9299 -3.1619 -3.1514 -3.0014 -2.9931 -2.5649 -2.5510 -1.0583 -1.0434 -0.4286 -0.3756 -0.1476 -0.1030 0.4184 0.4792 0.5526 0.6166 1.2012 1.2174 1.5249 1.5353 2.2945 2.2969 2.4820 2.4830 2.6745 2.6786 2.9345 2.9392 3.0840 3.0970 3.2896 3.3107 3.4912 3.4920 7.6253 7.6956 9.5956 9.6847 10.5326 10.5695 11.4189 11.4236 12.1402 12.1657 k = 0.0448 0.0315 0.3469 ( 4076 PWs) bands (ev): -16.2971 -16.2969 -15.4435 -15.4409 -14.0544 -14.0534 -13.8893 -13.8881 -13.6262 -13.6182 -13.5392 -13.5338 -5.1953 -5.1872 -4.9256 -4.9254 -3.1603 -3.1476 -2.9864 -2.9768 -2.5701 -2.5519 -1.0714 -1.0520 -0.4486 -0.3826 -0.1451 -0.0902 0.4093 0.4793 0.5616 0.6357 1.2060 1.2268 1.5369 1.5504 2.2875 2.2905 2.4779 2.4795 2.6570 2.6618 2.9333 2.9393 3.0779 3.0940 3.2938 3.3208 3.4901 3.4910 7.6224 7.7156 9.5828 9.7013 10.5261 10.5761 11.4245 11.4306 12.1401 12.1741 k = 0.0561 0.0393 0.3469 ( 4070 PWs) bands (ev): -16.2919 -16.2916 -15.4404 -15.4372 -14.0595 -14.0583 -13.8917 -13.8904 -13.6384 -13.6302 -13.5315 -13.5264 -5.2097 -5.1998 -4.9198 -4.9195 -3.1567 -3.1423 -2.9679 -2.9576 -2.5759 -2.5535 -1.0869 -1.0636 -0.4699 -0.3936 -0.1396 -0.0771 0.4011 0.4752 0.5768 0.6557 1.2132 1.2378 1.5526 1.5687 2.2785 2.2821 2.4717 2.4742 2.6366 2.6420 2.9317 2.9388 3.0711 3.0896 3.2997 3.3321 3.4888 3.4899 7.6220 7.7377 9.5706 9.7184 10.5192 10.5830 11.4319 11.4395 12.1411 12.1835 k = 0.0673 0.0472 0.3469 ( 4066 PWs) bands (ev): -16.2855 -16.2852 -15.4367 -15.4328 -14.0656 -14.0644 -13.8950 -13.8937 -13.6505 -13.6421 -13.5245 -13.5198 -5.2266 -5.2152 -4.9129 -4.9125 -3.1511 -3.1355 -2.9466 -2.9363 -2.5820 -2.5555 -1.1047 -1.0779 -0.4920 -0.4077 -0.1318 -0.0638 0.3936 0.4689 0.5957 0.6762 1.2227 1.2506 1.5715 1.5899 2.2672 2.2714 2.4630 2.4665 2.6145 2.6203 2.9296 2.9376 3.0641 3.0843 3.3070 3.3444 3.4874 3.4886 7.6239 7.7616 9.5591 9.7358 10.5119 10.5903 11.4413 11.4503 12.1431 12.1939 k = 0.0785 0.0551 0.3469 ( 4064 PWs) bands (ev): -16.2781 -16.2777 -15.4322 -15.4278 -14.0727 -14.0714 -13.8994 -13.8982 -13.6621 -13.6538 -13.5182 -13.5139 -5.2460 -5.2331 -4.9048 -4.9042 -3.1433 -3.1268 -2.9232 -2.9135 -2.5879 -2.5576 -1.1245 -1.0947 -0.5143 -0.4239 -0.1222 -0.0506 0.3865 0.4617 0.6165 0.6970 1.2344 1.2650 1.5931 1.6135 2.2533 2.2579 2.4515 2.4562 2.5921 2.5981 2.9269 2.9359 3.0569 3.0784 3.3153 3.3574 3.4858 3.4872 7.6281 7.7873 9.5482 9.7535 10.5041 10.5980 11.4525 11.4628 12.1460 12.2050 k = 0.0897 0.0629 0.3469 ( 4070 PWs) bands (ev): -16.2694 -16.2690 -15.4270 -15.4220 -14.0807 -14.0794 -13.9051 -13.9041 -13.6732 -13.6649 -13.5128 -13.5088 -5.2676 -5.2534 -4.8957 -4.8948 -3.1332 -3.1161 -2.8985 -2.8898 -2.5934 -2.5594 -1.1458 -1.1135 -0.5365 -0.4412 -0.1114 -0.0375 0.3796 0.4539 0.6382 0.7179 1.2483 1.2811 1.6170 1.6391 2.2358 2.2408 2.4374 2.4435 2.5704 2.5764 2.9237 2.9335 3.0498 3.0722 3.3242 3.3708 3.4842 3.4861 7.6344 7.8144 9.5380 9.7713 10.4959 10.6061 11.4656 11.4772 12.1496 12.2168 k = 0.1009 0.0708 0.3469 ( 4070 PWs) bands (ev): -16.2597 -16.2592 -15.4212 -15.4155 -14.0896 -14.0883 -13.9123 -13.9117 -13.6833 -13.6753 -13.5081 -13.5045 -5.2913 -5.2759 -4.8855 -4.8842 -3.1211 -3.1035 -2.8734 -2.8658 -2.5977 -2.5601 -1.1685 -1.1341 -0.5582 -0.4591 -0.1000 -0.0249 0.3727 0.4459 0.6603 0.7385 1.2641 1.2989 1.6423 1.6659 2.2138 2.2194 2.4214 2.4292 2.5499 2.5560 2.9199 2.9304 3.0432 3.0663 3.3335 3.3844 3.4827 3.4853 7.6426 7.8428 9.5285 9.7891 10.4871 10.6147 11.4806 11.4934 12.1539 12.2290 k = 0.1121 0.0787 0.3469 ( 4067 PWs) bands (ev): -16.2488 -16.2483 -15.4146 -15.4084 -14.0995 -14.0982 -13.9210 -13.9209 -13.6925 -13.6848 -13.5041 -13.5009 -5.3168 -5.3003 -4.8741 -4.8725 -3.1070 -3.0891 -2.8494 -2.8420 -2.6002 -2.5590 -1.1919 -1.1558 -0.5790 -0.4768 -0.0883 -0.0129 0.3657 0.4377 0.6823 0.7587 1.2816 1.3184 1.6684 1.6933 2.1861 2.1929 2.4048 2.4153 2.5308 2.5370 2.9153 2.9262 3.0376 3.0611 3.3426 3.3979 3.4815 3.4852 7.6527 7.8721 9.5199 9.8069 10.4779 10.6237 11.4974 11.5114 12.1587 12.2415 k = 0.1233 0.0865 0.3469 ( 4069 PWs) bands (ev): -16.2369 -16.2363 -15.4075 -15.4007 -14.1103 -14.1092 -13.9319 -13.9314 -13.7006 -13.6933 -13.5009 -13.4980 -5.3440 -5.3266 -4.8617 -4.8597 -3.0912 -3.0730 -2.8281 -2.8191 -2.5997 -2.5550 -1.2158 -1.1783 -0.5987 -0.4939 -0.0767 -0.0018 0.3586 0.4295 0.7038 0.7781 1.3007 1.3395 1.6945 1.7204 2.1522 2.1607 2.3891 2.4035 2.5128 2.5190 2.9098 2.9207 3.0336 3.0572 3.3513 3.4106 3.4811 3.4862 7.6644 7.9022 9.5121 9.8244 10.4682 10.6330 11.5161 11.5313 12.1639 12.2541 k = 0.1345 0.0944 0.3469 ( 4068 PWs) bands (ev): -16.2238 -16.2232 -15.3997 -15.3923 -14.1221 -14.1212 -13.9444 -13.9432 -13.7076 -13.7007 -13.4985 -13.4958 -5.3728 -5.3545 -4.8482 -4.8458 -3.0740 -3.0556 -2.8107 -2.7985 -2.5948 -2.5469 -1.2397 -1.2009 -0.6171 -0.5101 -0.0655 0.0083 0.3511 0.4214 0.7245 0.7967 1.3210 1.3623 1.7195 1.7459 2.1125 2.1228 2.3753 2.3951 2.4954 2.5017 2.9034 2.9135 3.0315 3.0550 3.3592 3.4218 3.4820 3.4887 7.6775 7.9327 9.5053 9.8415 10.4583 10.6428 11.5367 11.5529 12.1693 12.2666 k = 0.1458 0.1023 0.3469 ( 4070 PWs) bands (ev): -16.2096 -16.2090 -15.3913 -15.3834 -14.1352 -14.1344 -13.9582 -13.9564 -13.7135 -13.7071 -13.4968 -13.4943 -5.4028 -5.3839 -4.8337 -4.8308 -3.0558 -3.0370 -2.7976 -2.7820 -2.5842 -2.5339 -1.2632 -1.2232 -0.6340 -0.5251 -0.0550 0.0170 0.3433 0.4135 0.7443 0.8143 1.3422 1.3866 1.7424 1.7684 2.0685 2.0803 2.3638 2.3903 2.4786 2.4850 2.8961 2.9047 3.0317 3.0549 3.3659 3.4302 3.4850 3.4936 7.6918 7.9633 9.4996 9.8581 10.4482 10.6528 11.5589 11.5763 12.1748 12.2789 k = 0.1570 0.1101 0.3469 ( 4069 PWs) bands (ev): -16.1944 -16.1937 -15.3824 -15.3740 -14.1495 -14.1489 -13.9730 -13.9705 -13.7185 -13.7125 -13.4958 -13.4934 -5.4339 -5.4145 -4.8181 -4.8147 -3.0369 -3.0178 -2.7890 -2.7710 -2.5669 -2.5154 -1.2858 -1.2447 -0.6493 -0.5387 -0.0454 0.0241 0.3351 0.4057 0.7629 0.8307 1.3638 1.4120 1.7614 1.7856 2.0227 2.0350 2.3543 2.3887 2.4627 2.4691 2.8880 2.8945 3.0342 3.0570 3.3713 3.4351 3.4901 3.5017 7.7070 7.9938 9.4950 9.8740 10.4382 10.6631 11.5829 11.6012 12.1803 12.2907 k = 0.1682 0.1180 0.3469 ( 4079 PWs) bands (ev): -16.1781 -16.1774 -15.3729 -15.3640 -14.1654 -14.1649 -13.9884 -13.9854 -13.7227 -13.7172 -13.4955 -13.4931 -5.4661 -5.4462 -4.8014 -4.7976 -3.0178 -2.9982 -2.7844 -2.7653 -2.5430 -2.4917 -1.3070 -1.2647 -0.6630 -0.5507 -0.0371 0.0295 0.3265 0.3982 0.7803 0.8458 1.3854 1.4384 1.7737 1.7931 1.9797 1.9902 2.3458 2.3890 2.4488 2.4545 2.8793 2.8837 3.0388 3.0612 3.3752 3.4369 3.4970 3.5133 7.7230 8.0238 9.4918 9.8891 10.4283 10.6735 11.6084 11.6278 12.1856 12.3019 k = 0.1794 0.1259 0.3469 ( 4078 PWs) bands (ev): -16.1608 -16.1600 -15.3630 -15.3536 -14.1831 -14.1824 -14.0040 -14.0005 -13.7262 -13.7212 -13.4958 -13.4933 -5.4990 -5.4787 -4.7837 -4.7795 -2.9991 -2.9788 -2.7828 -2.7642 -2.5135 -2.4633 -1.3265 -1.2830 -0.6750 -0.5611 -0.0301 0.0329 0.3176 0.3911 0.7963 0.8595 1.4063 1.4650 1.7742 1.7842 1.9457 1.9528 2.3375 2.3883 2.4390 2.4423 2.8696 2.8740 3.0452 3.0673 3.3776 3.4367 3.5053 3.5275 7.7395 8.0530 9.4899 9.9031 10.4189 10.6841 11.6355 11.6558 12.1906 12.3123 k = 0.1906 0.1337 0.3469 ( 4078 PWs) bands (ev): -16.1424 -16.1416 -15.3526 -15.3428 -14.2027 -14.2017 -14.0193 -14.0155 -13.7293 -13.7247 -13.4968 -13.4941 -5.5325 -5.5120 -4.7651 -4.7604 -2.9813 -2.9599 -2.7833 -2.7664 -2.4796 -2.4309 -1.3439 -1.2989 -0.6852 -0.5697 -0.0247 0.0343 0.3082 0.3842 0.8108 0.8717 1.4259 1.4910 1.7544 1.7564 1.9233 1.9327 2.3285 2.3828 2.4307 2.4392 2.8592 2.8667 3.0531 3.0750 3.3789 3.4353 3.5151 3.5435 7.7563 8.0812 9.4895 9.9159 10.4101 10.6946 11.6639 11.6851 12.1953 12.3220 k = 0.2018 0.1416 0.3469 ( 4072 PWs) bands (ev): -16.1230 -16.1221 -15.3417 -15.3316 -14.2243 -14.2229 -14.0341 -14.0301 -13.7320 -13.7278 -13.4984 -13.4954 -5.5666 -5.5459 -4.7454 -4.7403 -2.9649 -2.9421 -2.7852 -2.7706 -2.4421 -2.3954 -1.3588 -1.3122 -0.6938 -0.5766 -0.0210 0.0336 0.2984 0.3776 0.8237 0.8822 1.4430 1.5150 1.7094 1.7198 1.9132 1.9260 2.3188 2.3726 2.4229 2.4460 2.8496 2.8617 3.0619 3.0839 3.3792 3.4334 3.5260 3.5606 7.7731 8.1080 9.4907 9.9274 10.4023 10.7051 11.6935 11.7156 12.1994 12.3307 k = 0.2130 0.1495 0.3469 ( 4074 PWs) bands (ev): -16.1027 -16.1017 -15.3306 -15.3200 -14.2478 -14.2460 -14.0481 -14.0440 -13.7345 -13.7307 -13.5005 -13.4971 -5.6009 -5.5801 -4.7248 -4.7192 -2.9506 -2.9258 -2.7878 -2.7759 -2.4019 -2.3571 -1.3709 -1.3225 -0.7005 -0.5817 -0.0191 0.0308 0.2882 0.3712 0.8348 0.8908 1.4558 1.5335 1.6592 1.6736 1.9108 1.9232 2.3089 2.3602 2.4171 2.4578 2.8421 2.8593 3.0715 3.0935 3.3790 3.4314 3.5379 3.5786 7.7899 8.1332 9.4936 9.9374 10.3957 10.7154 11.7243 11.7471 12.2031 12.3385 k = 0.2242 0.1574 0.3469 ( 4083 PWs) bands (ev): -16.0814 -16.0804 -15.3191 -15.3082 -14.2733 -14.2711 -14.0611 -14.0570 -13.7369 -13.7335 -13.5032 -13.4994 -5.6354 -5.6147 -4.7033 -4.6973 -2.9387 -2.9116 -2.7911 -2.7811 -2.3593 -2.3165 -1.3800 -1.3296 -0.7056 -0.5851 -0.0191 0.0259 0.2775 0.3649 0.8438 0.8971 1.4601 1.5364 1.6119 1.6342 1.9103 1.9198 2.3000 2.3476 2.4127 2.4724 2.8375 2.8600 3.0814 3.1035 3.3786 3.4295 3.5506 3.5971 7.8064 8.1565 9.4980 9.9459 10.3906 10.7255 11.7559 11.7794 12.2061 12.3453 k = 0.2355 0.1652 0.3469 ( 4085 PWs) bands (ev): -16.0591 -16.0581 -15.3073 -15.2962 -14.3006 -14.2980 -14.0730 -14.0691 -13.7393 -13.7363 -13.5063 -13.5021 -5.6699 -5.6493 -4.6808 -4.6744 -2.9296 -2.8999 -2.7952 -2.7853 -2.3146 -2.2738 -1.3858 -1.3333 -0.7090 -0.5867 -0.0211 0.0190 0.2665 0.3586 0.8503 0.9008 1.4472 1.5097 1.5737 1.6236 1.9086 1.9137 2.2932 2.3354 2.4095 2.4887 2.8365 2.8638 3.0915 3.1136 3.3783 3.4279 3.5639 3.6160 7.8224 8.1777 9.5041 9.9529 10.3871 10.7352 11.7881 11.8123 12.2086 12.3511 k = 0.2467 0.1731 0.3469 ( 4086 PWs) bands (ev): -16.0360 -16.0349 -15.2954 -15.2840 -14.3296 -14.3265 -14.0839 -14.0802 -13.7418 -13.7391 -13.5098 -13.5053 -5.7042 -5.6838 -4.6575 -4.6507 -2.9232 -2.8911 -2.7999 -2.7881 -2.2680 -2.2292 -1.3884 -1.3336 -0.7107 -0.5866 -0.0251 0.0101 0.2551 0.3522 0.8537 0.9010 1.4119 1.4633 1.5548 1.6302 1.9043 1.9044 2.2887 2.3239 2.4078 2.5061 2.8392 2.8709 3.1013 3.1233 3.3786 3.4269 3.5777 3.6354 7.8378 8.1967 9.5118 9.9583 10.3855 10.7446 11.8209 11.8456 12.2103 12.3559 k = 0.2579 0.1810 0.3469 ( 4085 PWs) bands (ev): -16.0119 -16.0108 -15.2833 -15.2717 -14.3601 -14.3566 -14.0938 -14.0902 -13.7443 -13.7420 -13.5137 -13.5088 -5.7383 -5.7182 -4.6334 -4.6262 -2.9196 -2.8857 -2.8043 -2.7901 -2.2198 -2.1829 -1.3876 -1.3306 -0.7109 -0.5848 -0.0314 -0.0006 0.2434 0.3457 0.8531 0.8968 1.3646 1.4109 1.5487 1.6383 1.8919 1.8972 2.2861 2.3132 2.4089 2.5246 2.8458 2.8808 3.1106 3.1323 3.3796 3.4265 3.5919 3.6549 7.8525 8.2131 9.5208 9.9621 10.3859 10.7535 11.8538 11.8790 12.2115 12.3597 k = 0.2691 0.1888 0.3469 ( 4089 PWs) bands (ev): -15.9871 -15.9859 -15.2712 -15.2595 -14.3918 -14.3880 -14.1027 -14.0993 -13.7470 -13.7450 -13.5180 -13.5127 -5.7720 -5.7523 -4.6085 -4.6010 -2.9183 -2.8836 -2.8081 -2.7917 -2.1701 -2.1350 -1.3836 -1.3243 -0.7096 -0.5815 -0.0399 -0.0132 0.2315 0.3390 0.8475 0.8871 1.3161 1.3596 1.5452 1.6426 1.8770 1.8878 2.2834 2.3033 2.4145 2.5443 2.8558 2.8932 3.1193 3.1403 3.3816 3.4270 3.6063 3.6747 7.8664 8.2270 9.5312 9.9645 10.3885 10.7620 11.8866 11.9123 12.2120 12.3625 k = 0.2803 0.1967 0.3469 ( 4095 PWs) bands (ev): -15.9614 -15.9602 -15.2591 -15.2473 -14.4245 -14.4205 -14.1106 -14.1075 -13.7500 -13.7482 -13.5226 -13.5169 -5.8052 -5.7859 -4.5828 -4.5752 -2.9191 -2.8846 -2.8111 -2.7934 -2.1190 -2.0857 -1.3764 -1.3149 -0.7069 -0.5767 -0.0507 -0.0277 0.2196 0.3321 0.8358 0.8707 1.2718 1.3127 1.5397 1.6410 1.8609 1.8772 2.2783 2.2948 2.4263 2.5656 2.8688 2.9074 3.1270 3.1470 3.3850 3.4284 3.6208 3.6945 7.8794 8.2382 9.5426 9.9656 10.3932 10.7699 11.9190 11.9454 12.2118 12.3645 k = 0.2915 0.2046 0.3469 ( 4098 PWs) bands (ev): -15.9350 -15.9337 -15.2471 -15.2352 -14.4581 -14.4538 -14.1176 -14.1148 -13.7531 -13.7515 -13.5275 -13.5215 -5.8378 -5.8189 -4.5565 -4.5487 -2.9216 -2.8882 -2.8137 -2.7953 -2.0668 -2.0353 -1.3664 -1.3028 -0.7028 -0.5705 -0.0639 -0.0442 0.2078 0.3249 0.8168 0.8466 1.2345 1.2723 1.5305 1.6319 1.8452 1.8665 2.2703 2.2871 2.4450 2.5884 2.8839 2.9230 3.1336 3.1522 3.3897 3.4308 3.6356 3.7143 7.8915 8.2466 9.5550 9.9655 10.4002 10.7772 11.9507 11.9778 12.2111 12.3655 k = 0.3027 0.2124 0.3469 ( 4100 PWs) bands (ev): -15.9078 -15.9065 -15.2353 -15.2235 -14.4923 -14.4879 -14.1238 -14.1211 -13.7566 -13.7550 -13.5327 -13.5263 -5.8696 -5.8512 -4.5296 -4.5217 -2.9255 -2.8937 -2.8161 -2.7976 -2.0138 -1.9838 -1.3537 -1.2883 -0.6975 -0.5630 -0.0795 -0.0628 0.1962 0.3174 0.7904 0.8150 1.2053 1.2395 1.5166 1.6148 1.8309 1.8569 2.2608 2.2794 2.4697 2.6127 2.9005 2.9393 3.1390 3.1558 3.3960 3.4343 3.6504 3.7340 7.9026 8.2523 9.5679 9.9643 10.4094 10.7840 11.9813 12.0095 12.2099 12.3658 k = 0.3139 0.2203 0.3469 ( 4097 PWs) bands (ev): -15.8801 -15.8787 -15.2237 -15.2121 -14.5269 -14.5223 -14.1292 -14.1267 -13.7603 -13.7587 -13.5381 -13.5314 -5.9004 -5.8827 -4.5022 -4.4943 -2.9307 -2.9006 -2.8186 -2.8002 -1.9600 -1.9318 -1.3386 -1.2717 -0.6911 -0.5543 -0.0978 -0.0834 0.1846 0.3094 0.7571 0.7774 1.1838 1.2140 1.4977 1.5899 1.8188 1.8491 2.2510 2.2714 2.4990 2.6382 2.9178 2.9559 3.1432 3.1579 3.4036 3.4387 3.6653 3.7535 7.9129 8.2552 9.5814 9.9622 10.4208 10.7901 12.0105 12.0400 12.2083 12.3654 k = 0.3252 0.2282 0.3469 ( 4099 PWs) bands (ev): -15.8517 -15.8503 -15.2126 -15.2012 -14.5617 -14.5571 -14.1337 -14.1314 -13.7644 -13.7626 -13.5437 -13.5367 -5.9303 -5.9132 -4.4743 -4.4666 -2.9369 -2.9086 -2.8211 -2.8029 -1.9060 -1.8793 -1.3216 -1.2534 -0.6838 -0.5446 -0.1189 -0.1058 0.1731 0.3007 0.7188 0.7359 1.1685 1.1948 1.4741 1.5586 1.8086 1.8432 2.2419 2.2633 2.5316 2.6647 2.9354 2.9723 3.1461 3.1585 3.4124 3.4441 3.6802 3.7726 7.9223 8.2554 9.5951 9.9590 10.4343 10.7956 12.0379 12.0692 12.2064 12.3643 k = 0.3364 0.2360 0.3469 ( 4098 PWs) bands (ev): -15.8228 -15.8213 -15.2021 -15.1910 -14.5963 -14.5918 -14.1375 -14.1352 -13.7687 -13.7667 -13.5494 -13.5421 -5.9591 -5.9427 -4.4462 -4.4386 -2.9442 -2.9176 -2.8235 -2.8055 -1.8520 -1.8269 -1.3031 -1.2339 -0.6756 -0.5338 -0.1436 -0.1293 0.1613 0.2908 0.6780 0.6931 1.1576 1.1801 1.4463 1.5226 1.8003 1.8392 2.2338 2.2559 2.5662 2.6917 2.9527 2.9883 3.1479 3.1579 3.4222 3.4503 3.6952 3.7913 7.9309 8.2529 9.6089 9.9550 10.4499 10.8005 12.0632 12.0967 12.2045 12.3629 k = 0.3476 0.2439 0.3469 ( 4097 PWs) bands (ev): -15.7935 -15.7920 -15.1922 -15.1816 -14.6307 -14.6263 -14.1406 -14.1382 -13.7734 -13.7710 -13.5552 -13.5478 -5.9867 -5.9709 -4.4178 -4.4106 -2.9524 -2.9272 -2.8255 -2.8076 -1.7983 -1.7749 -1.2833 -1.2135 -0.6666 -0.5222 -0.1719 -0.1535 0.1489 0.2792 0.6371 0.6512 1.1495 1.1683 1.4153 1.4835 1.7936 1.8367 2.2272 2.2495 2.6016 2.7187 2.9693 3.0035 3.1485 3.1561 3.4327 3.4571 3.7104 3.8095 7.9389 8.2478 9.6228 9.9501 10.4675 10.8046 12.0861 12.1217 12.2030 12.3612 k = 0.3588 0.2518 0.3469 ( 4099 PWs) bands (ev): -15.7638 -15.7623 -15.1832 -15.1731 -14.6645 -14.6603 -14.1429 -14.1404 -13.7782 -13.7756 -13.5611 -13.5536 -6.0129 -5.9979 -4.3894 -4.3827 -2.9615 -2.9376 -2.8270 -2.8092 -1.7455 -1.7237 -1.2627 -1.1928 -0.6571 -0.5099 -0.2036 -0.1786 0.1352 0.2648 0.5988 0.6124 1.1424 1.1574 1.3824 1.4430 1.7883 1.8352 2.2223 2.2444 2.6371 2.7453 2.9849 3.0177 3.1482 3.1535 3.4435 3.4642 3.7258 3.8270 7.9463 8.2402 9.6365 9.9442 10.4868 10.8081 12.1059 12.1431 12.2032 12.3596 k = 0.3700 0.2596 0.3469 ( 4100 PWs) bands (ev): -15.7340 -15.7324 -15.1752 -15.1659 -14.6972 -14.6934 -14.1445 -14.1418 -13.7833 -13.7803 -13.5671 -13.5595 -6.0377 -6.0236 -4.3610 -4.3550 -2.9714 -2.9486 -2.8275 -2.8098 -1.6940 -1.6739 -1.2417 -1.1721 -0.6471 -0.4968 -0.2379 -0.2046 0.1198 0.2467 0.5654 0.5787 1.1346 1.1459 1.3491 1.4031 1.7843 1.8347 2.2193 2.2409 2.6717 2.7711 2.9993 3.0308 3.1469 3.1504 3.4542 3.4715 3.7414 3.8437 7.9533 8.2303 9.6502 9.9375 10.5076 10.8108 12.1223 12.1583 12.2075 12.3584 k = 0.3812 0.2675 0.3469 ( 4108 PWs) bands (ev): -15.7042 -15.7026 -15.1685 -15.1600 -14.7287 -14.7254 -14.1454 -14.1424 -13.7885 -13.7852 -13.5731 -13.5655 -6.0611 -6.0477 -4.3330 -4.3277 -2.9819 -2.9602 -2.8269 -2.8094 -1.6444 -1.6261 -1.2206 -1.1518 -0.6368 -0.4831 -0.2743 -0.2313 0.1020 0.2241 0.5387 0.5515 1.1242 1.1317 1.3176 1.3657 1.7816 1.8350 2.2182 2.2391 2.7050 2.7956 3.0123 3.0427 3.1448 3.1471 3.4644 3.4786 3.7574 3.8596 7.9599 8.2183 9.6637 9.9298 10.5298 10.8127 12.1346 12.1655 12.2180 12.3581 k = 0.3924 0.2754 0.3469 ( 4105 PWs) bands (ev): -15.6746 -15.6729 -15.1632 -15.1558 -14.7584 -14.7557 -14.1455 -14.1422 -13.7940 -13.7903 -13.5790 -13.5715 -6.0828 -6.0702 -4.3054 -4.3010 -2.9930 -2.9722 -2.8250 -2.8077 -1.5973 -1.5808 -1.2000 -1.1325 -0.6261 -0.4689 -0.3121 -0.2586 0.0817 0.1968 0.5195 0.5317 1.1088 1.1129 1.2904 1.3331 1.7803 1.8360 2.2190 2.2391 2.7365 2.8186 3.0238 3.0532 3.1418 3.1439 3.4739 3.4853 3.7737 3.8745 7.9664 8.2043 9.6771 9.9212 10.5530 10.8137 12.1419 12.1670 12.2328 12.3590 k = 0.4036 0.2832 0.3469 ( 4107 PWs) bands (ev): -15.6455 -15.6438 -15.1595 -15.1535 -14.7858 -14.7839 -14.1449 -14.1413 -13.7995 -13.7956 -13.5849 -13.5775 -6.1028 -6.0911 -4.2786 -4.2752 -3.0045 -2.9845 -2.8216 -2.8045 -1.5533 -1.5388 -1.1801 -1.1146 -0.6153 -0.4542 -0.3505 -0.2860 0.0588 0.1653 0.5077 0.5198 1.0867 1.0881 1.2696 1.3071 1.7804 1.8380 2.2217 2.2409 2.7657 2.8398 3.0335 3.0624 3.1383 3.1408 3.4821 3.4913 3.7906 3.8884 7.9727 8.1886 9.6905 9.9118 10.5770 10.8139 12.1437 12.1664 12.2486 12.3614 k = 0.4149 0.2911 0.3469 ( 4107 PWs) bands (ev): -15.6172 -15.6155 -15.1577 -15.1530 -14.8105 -14.8095 -14.1436 -14.1396 -13.8052 -13.8010 -13.5906 -13.5836 -6.1210 -6.1101 -4.2527 -4.2505 -3.0161 -2.9969 -2.8166 -2.7998 -1.5132 -1.5007 -1.1613 -1.0984 -0.6044 -0.4391 -0.3884 -0.3131 0.0335 0.1308 0.5028 0.5156 1.0570 1.0574 1.2560 1.2884 1.7821 1.8411 2.2262 2.2445 2.7923 2.8588 3.0414 3.0703 3.1348 3.1375 3.4889 3.4963 3.8078 3.9011 7.9791 8.1715 9.7038 9.9016 10.6014 10.8130 12.1409 12.1643 12.2640 12.3656 k = 0.4261 0.2990 0.3469 ( 4113 PWs) bands (ev): -15.5903 -15.5887 -15.1575 -15.1545 -14.8324 -14.8318 -14.1417 -14.1373 -13.8110 -13.8066 -13.5962 -13.5895 -6.1373 -6.1273 -4.2282 -4.2271 -3.0278 -3.0093 -2.8099 -2.7933 -1.4779 -1.4674 -1.1440 -1.0847 -0.5935 -0.4289 -0.4194 -0.3393 0.0066 0.0946 0.5042 0.5183 1.0209 1.0220 1.2487 1.2764 1.7854 1.8453 2.2324 2.2497 2.8160 2.8755 3.0474 3.0767 3.1316 3.1341 3.4938 3.5001 3.8253 3.9125 7.9856 8.1532 9.7169 9.8907 10.6258 10.8109 12.1350 12.1600 12.2785 12.3712 k = 0.4373 0.3068 0.3469 ( 4115 PWs) bands (ev): -15.5655 -15.5639 -15.1589 -15.1575 -14.8515 -14.8499 -14.1391 -14.1344 -13.8168 -13.8122 -13.6016 -13.5953 -6.1518 -6.1426 -4.2056 -4.2050 -3.0393 -3.0215 -2.8015 -2.7850 -1.4481 -1.4397 -1.1283 -1.0736 -0.5828 -0.4596 -0.4062 -0.3641 -0.0215 0.0579 0.5114 0.5270 0.9813 0.9827 1.2461 1.2698 1.7907 1.8509 2.2400 2.2564 2.8368 2.8897 3.0515 3.0819 3.1288 3.1307 3.4968 3.5025 3.8431 3.9225 7.9922 8.1342 9.7299 9.8794 10.6499 10.8077 12.1272 12.1530 12.2918 12.3781 k = 0.4485 0.3147 0.3469 ( 4124 PWs) bands (ev): -15.5437 -15.5422 -15.1614 -15.1609 -14.8671 -14.8644 -14.1359 -14.1309 -13.8226 -13.8179 -13.6067 -13.6010 -6.1642 -6.1559 -4.1858 -4.1839 -3.0505 -3.0333 -2.7911 -2.7746 -1.4249 -1.4182 -1.1145 -1.0658 -0.5734 -0.4884 -0.3919 -0.3846 -0.0501 0.0214 0.5238 0.5407 0.9397 0.9414 1.2470 1.2672 1.7979 1.8581 2.2491 2.2646 2.8546 2.9012 3.0539 3.0858 3.1259 3.1275 3.4976 3.5033 3.8608 3.9311 7.9988 8.1148 9.7426 9.8679 10.6735 10.8032 12.1180 12.1435 12.3041 12.3857 k = 0.4597 0.3226 0.3469 ( 4112 PWs) bands (ev): -15.5259 -15.5246 -15.1645 -15.1627 -14.8792 -14.8754 -14.1321 -14.1269 -13.8284 -13.8236 -13.6115 -13.6065 -6.1745 -6.1670 -4.1683 -4.1650 -3.0612 -3.0445 -2.7788 -2.7622 -1.4089 -1.4034 -1.1029 -1.0615 -0.5682 -0.5088 -0.4090 -0.3711 -0.0785 -0.0140 0.5411 0.5588 0.8973 0.8994 1.2505 1.2677 1.8073 1.8670 2.2593 2.2741 2.8694 2.9099 3.0548 3.0884 3.1226 3.1249 3.4962 3.5022 3.8782 3.9382 8.0053 8.0957 9.7547 9.8566 10.6961 10.7972 12.1076 12.1318 12.3153 12.3938 k = 0.5000 0.3508-0.1705 ( 4108 PWs) bands (ev): -15.4853 -15.4853 -15.2051 -15.2051 -14.8776 -14.8776 -14.1009 -14.1009 -13.8643 -13.8643 -13.5928 -13.5928 -6.3515 -6.3515 -3.8428 -3.8428 -2.9660 -2.9660 -2.8316 -2.8316 -1.5434 -1.5434 -0.9365 -0.9365 -0.6156 -0.6156 -0.5262 -0.5262 -0.2243 -0.2243 0.6699 0.6699 0.9311 0.9311 1.3470 1.3470 1.7671 1.7671 2.2941 2.2941 2.8381 2.8381 3.0014 3.0014 3.1492 3.1492 3.6052 3.6052 3.9230 3.9230 8.0249 8.0249 9.7922 9.7922 10.8259 10.8259 12.1117 12.1117 12.4058 12.4058 k = 0.5078 0.3397-0.1705 ( 4108 PWs) bands (ev): -15.4864 -15.4864 -15.2051 -15.2047 -14.8767 -14.8766 -14.1009 -14.1007 -13.8645 -13.8644 -13.5929 -13.5925 -6.3509 -6.3508 -3.8445 -3.8445 -2.9663 -2.9662 -2.8302 -2.8302 -1.5492 -1.5421 -0.9499 -0.9239 -0.6315 -0.5986 -0.5265 -0.5260 -0.2236 -0.2226 0.6702 0.6703 0.9297 0.9313 1.3484 1.3491 1.7671 1.7677 2.2947 2.2948 2.8364 2.8395 2.9995 3.0036 3.1487 3.1490 3.6044 3.6052 3.9223 3.9225 8.0177 8.0333 9.7922 9.7927 10.8202 10.8293 12.1075 12.1154 12.4034 12.4036 k = 0.5156 0.3286-0.1705 ( 4110 PWs) bands (ev): -15.4896 -15.4895 -15.2048 -15.2040 -14.8740 -14.8738 -14.1006 -14.1002 -13.8649 -13.8647 -13.5928 -13.5921 -6.3490 -6.3489 -3.8496 -3.8495 -2.9670 -2.9669 -2.8261 -2.8261 -1.5594 -1.5453 -0.9635 -0.9127 -0.6450 -0.5825 -0.5261 -0.5251 -0.2205 -0.2184 0.6713 0.6715 0.9271 0.9304 1.3532 1.3547 1.7675 1.7687 2.2967 2.2969 2.8344 2.8405 2.9982 3.0063 3.1474 3.1479 3.6028 3.6045 3.9204 3.9208 8.0117 8.0432 9.7926 9.7936 10.8123 10.8303 12.1028 12.1184 12.3964 12.3968 k = 0.5235 0.3174-0.1705 ( 4104 PWs) bands (ev): -15.4949 -15.4948 -15.2043 -15.2030 -14.8695 -14.8692 -14.1000 -14.0994 -13.8655 -13.8653 -13.5925 -13.5915 -6.3457 -6.3457 -3.8580 -3.8578 -2.9681 -2.9680 -2.8194 -2.8193 -1.5738 -1.5530 -0.9774 -0.9036 -0.6556 -0.5719 -0.5266 -0.5179 -0.2149 -0.2118 0.6732 0.6736 0.9237 0.9284 1.3611 1.3635 1.7685 1.7703 2.3000 2.3003 2.8321 2.8409 2.9975 3.0093 3.1453 3.1460 3.6005 3.6030 3.9174 3.9180 8.0070 8.0543 9.7934 9.7951 10.8023 10.8290 12.0976 12.1209 12.3849 12.3856 k = 0.5313 0.3063-0.1705 ( 4106 PWs) bands (ev): -15.5022 -15.5020 -15.2034 -15.2018 -14.8633 -14.8629 -14.0992 -14.0984 -13.8664 -13.8661 -13.5920 -13.5907 -6.3413 -6.3412 -3.8694 -3.8692 -2.9697 -2.9696 -2.8102 -2.8102 -1.5920 -1.5648 -0.9914 -0.8977 -0.6628 -0.5701 -0.5268 -0.5017 -0.2070 -0.2030 0.6759 0.6764 0.9196 0.9257 1.3719 1.3754 1.7700 1.7724 2.3046 2.3050 2.8296 2.8408 2.9974 3.0126 3.1423 3.1433 3.5975 3.6008 3.9132 3.9140 8.0033 8.0668 9.7945 9.7972 10.7906 10.8251 12.0919 12.1227 12.3692 12.3704 k = 0.5391 0.2951-0.1705 ( 4094 PWs) bands (ev): -15.5114 -15.5111 -15.2022 -15.2002 -14.8555 -14.8550 -14.0981 -14.0971 -13.8675 -13.8671 -13.5914 -13.5898 -6.3355 -6.3354 -3.8837 -3.8834 -2.9718 -2.9717 -2.7987 -2.7987 -1.6135 -1.5805 -1.0058 -0.8959 -0.6670 -0.5750 -0.5260 -0.4788 -0.1969 -0.1920 0.6793 0.6800 0.9152 0.9225 1.3853 1.3901 1.7721 1.7751 2.3104 2.3109 2.8267 2.8399 2.9981 3.0162 3.1386 3.1399 3.5937 3.5978 3.9078 3.9088 8.0007 8.0806 9.7960 9.7997 10.7771 10.8189 12.0857 12.1239 12.3497 12.3514 k = 0.5469 0.2840-0.1705 ( 4094 PWs) bands (ev): -15.5222 -15.5219 -15.2008 -15.1983 -14.8463 -14.8458 -14.0967 -14.0955 -13.8688 -13.8683 -13.5906 -13.5886 -6.3285 -6.3284 -3.9005 -3.9002 -2.9743 -2.9742 -2.7853 -2.7852 -1.6380 -1.5997 -1.0206 -0.8984 -0.6691 -0.5838 -0.5230 -0.4524 -0.1846 -0.1791 0.6835 0.6844 0.9107 0.9191 1.4009 1.4072 1.7748 1.7785 2.3173 2.3180 2.8235 2.8383 2.9996 3.0199 3.1341 3.1357 3.5892 3.5941 3.9012 3.9024 7.9990 8.0956 9.7978 9.8029 10.7622 10.8102 12.0791 12.1244 12.3267 12.3291 k = 0.5547 0.2728-0.1705 ( 4100 PWs) bands (ev): -15.5346 -15.5343 -15.1991 -15.1962 -14.8358 -14.8352 -14.0951 -14.0937 -13.8704 -13.8697 -13.5896 -13.5873 -6.3203 -6.3201 -3.9197 -3.9192 -2.9772 -2.9771 -2.7701 -2.7700 -1.6651 -1.6219 -1.0359 -0.9052 -0.6709 -0.5951 -0.5165 -0.4239 -0.1705 -0.1644 0.6885 0.6897 0.9065 0.9159 1.4183 1.4263 1.7783 1.7825 2.3253 2.3261 2.8198 2.8357 3.0019 3.0239 3.1289 3.1307 3.5841 3.5896 3.8935 3.8948 7.9980 8.1118 9.7997 9.8067 10.7460 10.7993 12.0720 12.1241 12.3008 12.3042 k = 0.5626 0.2617-0.1705 ( 4094 PWs) bands (ev): -15.5484 -15.5481 -15.1970 -15.1938 -14.8243 -14.8236 -14.0932 -14.0916 -13.8721 -13.8714 -13.5885 -13.5859 -6.3109 -6.3107 -3.9407 -3.9403 -2.9806 -2.9804 -2.7534 -2.7532 -1.6943 -1.6468 -1.0520 -0.9157 -0.6739 -0.6082 -0.5055 -0.3939 -0.1546 -0.1481 0.6943 0.6958 0.9029 0.9130 1.4373 1.4473 1.7825 1.7872 2.3342 2.3352 2.8157 2.8321 3.0050 3.0279 3.1230 3.1251 3.5783 3.5845 3.8846 3.8861 7.9977 8.1292 9.8019 9.8111 10.7290 10.7862 12.0643 12.1230 12.2727 12.2770 k = 0.5704 0.2505-0.1705 ( 4092 PWs) bands (ev): -15.5635 -15.5632 -15.1948 -15.1911 -14.8117 -14.8109 -14.0910 -14.0893 -13.8740 -13.8732 -13.5871 -13.5842 -6.3003 -6.3000 -3.9635 -3.9630 -2.9844 -2.9841 -2.7354 -2.7352 -1.7252 -1.6739 -1.0689 -0.9293 -0.6795 -0.6229 -0.4897 -0.3629 -0.1371 -0.1303 0.7009 0.7028 0.9000 0.9109 1.4577 1.4697 1.7875 1.7928 2.3441 2.3452 2.8111 2.8275 3.0087 3.0320 3.1164 3.1188 3.5719 3.5788 3.8745 3.8763 7.9979 8.1476 9.8041 9.8160 10.7112 10.7712 12.0560 12.1207 12.2429 12.2483 k = 0.5782 0.2394-0.1705 ( 4098 PWs) bands (ev): -15.5798 -15.5794 -15.1922 -15.1882 -14.7983 -14.7975 -14.0886 -14.0867 -13.8760 -13.8752 -13.5855 -13.5823 -6.2885 -6.2882 -3.9876 -3.9872 -2.9885 -2.9882 -2.7164 -2.7161 -1.7576 -1.7030 -1.0865 -0.9454 -0.6880 -0.6389 -0.4695 -0.3313 -0.1183 -0.1114 0.7084 0.7108 0.8981 0.9095 1.4790 1.4934 1.7934 1.7992 2.3547 2.3560 2.8060 2.8220 3.0130 3.0360 3.1092 3.1119 3.5649 3.5724 3.8633 3.8653 7.9985 8.1668 9.8064 9.8216 10.6930 10.7544 12.0469 12.1168 12.2125 12.2186 k = 0.5860 0.2282-0.1705 ( 4104 PWs) bands (ev): -15.5970 -15.5966 -15.1895 -15.1851 -14.7842 -14.7833 -14.0860 -14.0840 -13.8783 -13.8773 -13.5838 -13.5803 -6.2756 -6.2753 -4.0130 -4.0125 -2.9930 -2.9927 -2.6966 -2.6963 -1.7912 -1.7337 -1.1051 -0.9634 -0.6991 -0.6560 -0.4456 -0.2991 -0.0985 -0.0916 0.7168 0.7197 0.8972 0.9092 1.5012 1.5180 1.8001 1.8065 2.3661 2.3675 2.8002 2.8154 3.0177 3.0396 3.1015 3.1047 3.5574 3.5655 3.8510 3.8531 7.9992 8.1869 9.8086 9.8277 10.6748 10.7362 12.0368 12.1103 12.1830 12.1888 k = 0.5939 0.2171-0.1705 ( 4106 PWs) bands (ev): -15.6151 -15.6147 -15.1865 -15.1817 -14.7694 -14.7686 -14.0831 -14.0810 -13.8806 -13.8796 -13.5818 -13.5781 -6.2615 -6.2612 -4.0392 -4.0387 -2.9978 -2.9975 -2.6761 -2.6758 -1.8257 -1.7656 -1.1244 -0.9831 -0.7126 -0.6742 -0.4190 -0.2667 -0.0778 -0.0710 0.7261 0.7296 0.8976 0.9100 1.5241 1.5434 1.8078 1.8147 2.3780 2.3795 2.7938 2.8079 3.0224 3.0426 3.0934 3.0973 3.5495 3.5580 3.8375 3.8399 7.9999 8.2075 9.8106 9.8343 10.6569 10.7167 12.0253 12.0986 12.1574 12.1597 k = 0.6017 0.2059-0.1705 ( 4104 PWs) bands (ev): -15.6339 -15.6336 -15.1833 -15.1781 -14.7543 -14.7533 -14.0800 -14.0777 -13.8830 -13.8819 -13.5796 -13.5757 -6.2464 -6.2460 -4.0661 -4.0656 -3.0030 -3.0026 -2.6553 -2.6549 -1.8608 -1.7986 -1.1446 -1.0040 -0.7278 -0.6931 -0.3904 -0.2341 -0.0565 -0.0500 0.7365 0.7407 0.8991 0.9121 1.5474 1.5694 1.8164 1.8239 2.3905 2.3921 2.7868 2.7996 3.0267 3.0445 3.0853 3.0902 3.5412 3.5500 3.8229 3.8255 8.0004 8.2287 9.8124 9.8413 10.6396 10.6964 12.0119 12.0787 12.1322 12.1391 k = 0.6095 0.1948-0.1705 ( 4102 PWs) bands (ev): -15.6534 -15.6531 -15.1799 -15.1744 -14.7387 -14.7377 -14.0766 -14.0743 -13.8855 -13.8844 -13.5772 -13.5731 -6.2302 -6.2298 -4.0935 -4.0929 -3.0084 -3.0079 -2.6341 -2.6337 -1.8964 -1.8324 -1.1654 -1.0260 -0.7444 -0.7128 -0.3603 -0.2016 -0.0351 -0.0290 0.7480 0.7531 0.9020 0.9153 1.5712 1.5957 1.8260 1.8340 2.4033 2.4051 2.7791 2.7904 3.0299 3.0443 3.0779 3.0844 3.5326 3.5416 3.8072 3.8101 8.0007 8.2501 9.8138 9.8486 10.6233 10.6756 11.9958 12.0514 12.1072 12.1276 k = 0.6173 0.1837-0.1705 ( 4094 PWs) bands (ev): -15.6735 -15.6732 -15.1763 -15.1705 -14.7229 -14.7219 -14.0730 -14.0706 -13.8881 -13.8868 -13.5747 -13.5702 -6.2130 -6.2126 -4.1211 -4.1207 -3.0142 -3.0136 -2.6128 -2.6123 -1.9323 -1.8667 -1.1868 -1.0489 -0.7621 -0.7329 -0.3294 -0.1693 -0.0136 -0.0081 0.7607 0.7667 0.9062 0.9199 1.5952 1.6224 1.8365 1.8451 2.4166 2.4185 2.7707 2.7804 3.0308 3.0410 3.0721 3.0805 3.5237 3.5329 3.7904 3.7936 8.0004 8.2716 9.8147 9.8560 10.6086 10.6548 11.9768 12.0207 12.0857 12.1193 k = 0.3827-0.5454 0.0000 ( 4094 PWs) bands (ev): -15.6735 -15.6732 -15.1763 -15.1705 -14.7229 -14.7219 -14.0730 -14.0706 -13.8881 -13.8868 -13.5747 -13.5702 -6.2130 -6.2126 -4.1211 -4.1207 -3.0142 -3.0136 -2.6128 -2.6123 -1.9323 -1.8667 -1.1868 -1.0489 -0.7621 -0.7329 -0.3294 -0.1693 -0.0136 -0.0081 0.7607 0.7667 0.9062 0.9199 1.5952 1.6224 1.8365 1.8451 2.4166 2.4185 2.7707 2.7804 3.0308 3.0410 3.0721 3.0805 3.5237 3.5329 3.7904 3.7936 8.0004 8.2716 9.8147 9.8560 10.6086 10.6548 11.9768 12.0207 12.0857 12.1193 k = 0.3749-0.5342 0.0000 ( 4092 PWs) bands (ev): -15.6941 -15.6937 -15.1725 -15.1664 -14.7069 -14.7059 -14.0692 -14.0668 -13.8907 -13.8894 -13.5718 -13.5672 -6.1949 -6.1944 -4.1489 -4.1485 -3.0203 -3.0195 -2.5916 -2.5910 -1.9683 -1.9013 -1.2087 -1.0723 -0.7805 -0.7533 -0.2979 -0.1374 0.0074 0.0123 0.7748 0.7817 0.9116 0.9257 1.6193 1.6491 1.8480 1.8570 2.4300 2.4320 2.7617 2.7697 3.0278 3.0344 3.0693 3.0790 3.5147 3.5240 3.7726 3.7760 7.9995 8.2929 9.8149 9.8633 10.5957 10.6342 11.9549 11.9890 12.0677 12.1120 k = 0.3671-0.5231 0.0000 ( 4086 PWs) bands (ev): -15.7151 -15.7147 -15.1687 -15.1622 -14.6908 -14.6897 -14.0652 -14.0627 -13.8933 -13.8919 -13.5688 -13.5640 -6.1758 -6.1753 -4.1768 -4.1763 -3.0267 -3.0257 -2.5705 -2.5698 -2.0043 -1.9361 -1.2310 -1.0963 -0.7994 -0.7739 -0.2662 -0.1059 0.0277 0.0320 0.7902 0.7983 0.9184 0.9327 1.6435 1.6759 1.8603 1.8698 2.4437 2.4457 2.7520 2.7584 3.0209 3.0253 3.0695 3.0789 3.5056 3.5148 3.7539 3.7575 7.9980 8.3140 9.8142 9.8702 10.5852 10.6144 11.9307 11.9572 12.0529 12.1050 k = 0.3593-0.5120 0.0000 ( 4082 PWs) bands (ev): -15.7364 -15.7361 -15.1646 -15.1579 -14.6747 -14.6736 -14.0610 -14.0585 -13.8958 -13.8944 -13.5656 -13.5606 -6.1558 -6.1552 -4.2045 -4.2041 -3.0334 -3.0322 -2.5496 -2.5489 -2.0401 -1.9708 -1.2535 -1.1205 -0.8186 -0.7944 -0.2345 -0.0749 0.0471 0.0506 0.8071 0.8164 0.9264 0.9409 1.6677 1.7025 1.8735 1.8835 2.4574 2.4595 2.7416 2.7465 3.0112 3.0145 3.0714 3.0793 3.4966 3.5055 3.7341 3.7381 7.9955 8.3345 9.8125 9.8765 10.5776 10.5957 11.9051 11.9260 12.0406 12.0977 k = 0.3514-0.5009 0.0000 ( 4080 PWs) bands (ev): -15.7580 -15.7577 -15.1605 -15.1535 -14.6586 -14.6575 -14.0566 -14.0541 -13.8983 -13.8968 -13.5621 -13.5570 -6.1349 -6.1343 -4.2320 -4.2316 -3.0404 -3.0390 -2.5290 -2.5283 -2.0756 -2.0055 -1.2761 -1.1449 -0.8377 -0.8148 -0.2030 -0.0447 0.0652 0.0679 0.8255 0.8362 0.9356 0.9503 1.6918 1.7289 1.8874 1.8979 2.4711 2.4733 2.7306 2.7340 3.0000 3.0025 3.0738 3.0796 3.4876 3.4962 3.7134 3.7177 7.9922 8.3543 9.8097 9.8818 10.5731 10.5786 11.8790 11.8957 12.0300 12.0901 k = 0.3436-0.4897 0.0000 ( 4086 PWs) bands (ev): -15.7799 -15.7796 -15.1564 -15.1490 -14.6426 -14.6415 -14.0520 -14.0495 -13.9007 -13.8991 -13.5585 -13.5533 -6.1133 -6.1126 -4.2591 -4.2588 -3.0478 -3.0461 -2.5090 -2.5081 -2.1107 -2.0399 -1.2986 -1.1692 -0.8566 -0.8347 -0.1719 -0.0152 0.0819 0.0837 0.8453 0.8576 0.9461 0.9608 1.7157 1.7549 1.9021 1.9130 2.4847 2.4869 2.7190 2.7211 2.9877 2.9899 3.0760 3.0794 3.4789 3.4870 3.6917 3.6964 7.9879 8.3732 9.8055 9.8859 10.5633 10.5723 11.8529 11.8663 12.0207 12.0820 k = 0.3358-0.4786 0.0000 ( 4086 PWs) bands (ev): -15.8019 -15.8016 -15.1521 -15.1445 -14.6268 -14.6256 -14.0473 -14.0448 -13.9029 -13.9013 -13.5546 -13.5493 -6.0908 -6.0901 -4.2859 -4.2857 -3.0555 -3.0534 -2.4895 -2.4886 -2.1454 -2.0738 -1.3209 -1.1934 -0.8750 -0.8540 -0.1413 0.0133 0.0970 0.0979 0.8665 0.8806 0.9578 0.9723 1.7395 1.7805 1.9174 1.9286 2.4981 2.5004 2.7068 2.7077 2.9749 2.9767 3.0775 3.0785 3.4704 3.4780 3.6693 3.6743 7.9827 8.3910 9.7999 9.8885 10.5502 10.5754 11.8272 11.8380 12.0126 12.0734 k = 0.3280-0.4675 0.0000 ( 4096 PWs) bands (ev): -15.8240 -15.8237 -15.1478 -15.1399 -14.6113 -14.6101 -14.0423 -14.0399 -13.9049 -13.9033 -13.5505 -13.5451 -6.0676 -6.0669 -4.3122 -4.3120 -3.0636 -3.0612 -2.4708 -2.4697 -2.1794 -2.1073 -1.3429 -1.2171 -0.8928 -0.8726 -0.1115 0.0406 0.1104 0.1106 0.8888 0.9050 0.9709 0.9848 1.7630 1.8056 1.9332 1.9447 2.5112 2.5135 2.6939 2.6941 2.9617 2.9632 3.0766 3.0780 3.4623 3.4692 3.6460 3.6515 7.9766 8.4076 9.7927 9.8895 10.5394 10.5826 11.8022 11.8109 12.0053 12.0643 k = 0.3202-0.4563 0.0000 ( 4102 PWs) bands (ev): -15.8462 -15.8460 -15.1435 -15.1353 -14.5960 -14.5948 -14.0372 -14.0348 -13.9067 -13.9050 -13.5462 -13.5407 -6.0438 -6.0430 -4.3379 -4.3378 -3.0722 -3.0693 -2.4529 -2.4518 -2.2126 -2.1401 -1.3643 -1.2404 -0.9096 -0.8901 -0.0825 0.0665 0.1211 0.1227 0.9118 0.9307 0.9857 0.9985 1.7862 1.8301 1.9495 1.9612 2.5237 2.5262 2.6799 2.6810 2.9484 2.9495 3.0737 3.0774 3.4547 3.4609 3.6221 3.6280 7.9696 8.4227 9.7841 9.8887 10.5311 10.5939 11.7779 11.7849 11.9990 12.0547 k = 0.3124-0.4452 0.0000 ( 4112 PWs) bands (ev): -15.8685 -15.8683 -15.1391 -15.1308 -14.5811 -14.5799 -14.0319 -14.0296 -13.9083 -13.9066 -13.5417 -13.5362 -6.0192 -6.0184 -4.3630 -4.3630 -3.0812 -3.0778 -2.4361 -2.4348 -2.2451 -2.1722 -1.3851 -1.2630 -0.9252 -0.9064 -0.0545 0.0901 0.1301 0.1340 0.9347 0.9571 1.0026 1.0135 1.8091 1.8537 1.9660 1.9778 2.5356 2.5382 2.6656 2.6676 2.9351 2.9359 3.0697 3.0755 3.4475 3.4530 3.5975 3.6038 7.9619 8.4363 9.7741 9.8861 10.5252 10.6091 11.7545 11.7599 11.9936 12.0446 k = 0.3046-0.4341 0.0000 ( 4100 PWs) bands (ev): -15.8907 -15.8905 -15.1348 -15.1262 -14.5666 -14.5653 -14.0265 -14.0243 -13.9095 -13.9078 -13.5370 -13.5314 -5.9941 -5.9932 -4.3875 -4.3875 -3.0906 -3.0868 -2.4205 -2.4189 -2.2765 -2.2035 -1.4050 -1.2847 -0.9394 -0.9211 -0.0277 0.1100 0.1375 0.1461 0.9569 0.9834 1.0220 1.0305 1.8315 1.8766 1.9827 1.9946 2.5464 2.5494 2.6514 2.6543 2.9221 2.9226 3.0647 3.0722 3.4409 3.4456 3.5724 3.5792 7.9534 8.4484 9.7627 9.8820 10.5216 10.6280 11.7319 11.7360 11.9892 12.0341 k = 0.2968-0.4229 0.0000 ( 4098 PWs) bands (ev): -15.9129 -15.9127 -15.1305 -15.1217 -14.5526 -14.5513 -14.0209 -14.0188 -13.9105 -13.9087 -13.5321 -13.5265 -5.9684 -5.9674 -4.4113 -4.4112 -3.1006 -3.0963 -2.4064 -2.4044 -2.3068 -2.2339 -1.4239 -1.3055 -0.9519 -0.9342 -0.0023 0.1237 0.1436 0.1611 0.9776 1.0082 1.0445 1.0503 1.8535 1.8984 1.9995 2.0114 2.5555 2.5592 2.6374 2.6414 2.9096 2.9097 3.0584 3.0675 3.4348 3.4388 3.5468 3.5541 7.9444 8.4588 9.7502 9.8764 10.5202 10.6502 11.7100 11.7130 11.9859 12.0233 k = 0.2890-0.4118 0.0000 ( 4100 PWs) bands (ev): -15.9350 -15.9348 -15.1262 -15.1173 -14.5391 -14.5378 -14.0152 -14.0133 -13.9110 -13.9092 -13.5270 -13.5215 -5.9422 -5.9412 -4.4344 -4.4341 -3.1112 -3.1063 -2.3944 -2.3914 -2.3354 -2.2633 -1.4417 -1.3251 -0.9626 -0.9454 0.0212 0.1314 0.1486 0.1792 0.9965 1.0303 1.0700 1.0741 1.8749 1.9192 2.0162 2.0279 2.5621 2.5669 2.6244 2.6297 2.8975 2.8978 3.0511 3.0613 3.4292 3.4325 3.5209 3.5288 7.9350 8.4675 9.7369 9.8696 10.5204 10.6751 11.6888 11.6909 11.9838 12.0123 k = 0.2812-0.4007 0.0000 ( 4096 PWs) bands (ev): -15.9570 -15.9568 -15.1220 -15.1130 -14.5262 -14.5248 -14.0094 -14.0076 -13.9111 -13.9093 -13.5217 -13.5162 -5.9155 -5.9145 -4.4566 -4.4563 -3.1223 -3.1168 -2.3873 -2.3800 -2.3596 -2.2917 -1.4582 -1.3435 -0.9711 -0.9544 0.0426 0.1349 0.1531 0.1985 1.0138 1.0495 1.0978 1.1015 1.8956 1.9387 2.0328 2.0442 2.5644 2.5708 2.6138 2.6208 2.8863 2.8870 3.0427 3.0537 3.4242 3.4267 3.4947 3.5032 7.9254 8.4746 9.7229 9.8619 10.5221 10.7021 11.6681 11.6694 11.9830 12.0012 k = 0.2733-0.3896 0.0000 ( 4094 PWs) bands (ev): -15.9788 -15.9786 -15.1179 -15.1087 -14.5139 -14.5125 -14.0035 -14.0017 -13.9107 -13.9089 -13.5163 -13.5109 -5.8885 -5.8874 -4.4780 -4.4776 -3.1339 -3.1280 -2.3993 -2.3705 -2.3655 -2.3190 -1.4733 -1.3604 -0.9772 -0.9610 0.0610 0.1357 0.1578 0.2175 1.0300 1.0669 1.1273 1.1313 1.9156 1.9569 2.0490 2.0600 2.5611 2.5684 2.6080 2.6160 2.8764 2.8775 3.0333 3.0447 3.4196 3.4213 3.4684 3.4778 7.9157 8.4800 9.7086 9.8535 10.5248 10.7305 11.6479 11.6485 11.9836 11.9902 k = 0.2655-0.3784 0.0000 ( 4098 PWs) bands (ev): -16.0004 -16.0003 -15.1139 -15.1046 -14.5023 -14.5009 -13.9974 -13.9958 -13.9099 -13.9081 -13.5108 -13.5054 -5.8611 -5.8600 -4.4986 -4.4980 -3.1462 -3.1397 -2.4230 -2.3639 -2.3604 -2.3444 -1.4869 -1.3758 -0.9808 -0.9651 0.0756 0.1345 0.1638 0.2356 1.0454 1.0832 1.1578 1.1622 1.9348 1.9735 2.0647 2.0752 2.5527 2.5594 2.6071 2.6147 2.8680 2.8695 3.0230 3.0344 3.4154 3.4159 3.4423 3.4528 7.9061 8.4839 9.6942 9.8448 10.5279 10.7596 11.6279 11.6282 11.9795 11.9858 k = 0.2577-0.3673 0.0000 ( 4098 PWs) bands (ev): -16.0218 -16.0216 -15.1099 -15.1006 -14.4913 -14.4899 -13.9912 -13.9898 -13.9086 -13.9068 -13.5051 -13.4998 -5.8335 -5.8323 -4.5182 -4.5175 -3.1590 -3.1521 -2.4474 -2.3733 -2.3555 -2.3547 -1.4989 -1.3896 -0.9817 -0.9665 0.0855 0.1316 0.1719 0.2527 1.0602 1.0988 1.1887 1.1936 1.9530 1.9884 2.0798 2.0898 2.5412 2.5470 2.6078 2.6147 2.8614 2.8633 3.0119 3.0230 3.4089 3.4105 3.4173 3.4301 7.8968 8.4863 9.6800 9.8359 10.5312 10.7888 11.6081 11.6083 11.9694 11.9895 k = 0.2499-0.3562 0.0000 ( 4098 PWs) bands (ev): -16.0429 -16.0428 -15.1061 -15.0967 -14.4812 -14.4797 -13.9850 -13.9837 -13.9067 -13.9049 -13.4993 -13.4941 -5.8057 -5.8044 -4.5368 -4.5360 -3.1724 -3.1650 -2.4711 -2.3966 -2.3523 -2.3523 -1.5091 -1.4017 -0.9797 -0.9650 0.0907 0.1275 0.1823 0.2684 1.0745 1.1141 1.2196 1.2247 1.9701 2.0013 2.0942 2.1035 2.5285 2.5333 2.6080 2.6142 2.8568 2.8591 3.0001 3.0105 3.3897 3.3940 3.4090 3.4159 7.8880 8.4874 9.6663 9.8271 10.5341 10.8171 11.5884 11.5887 11.9601 11.9949 k = 0.2421-0.3450 0.0000 ( 4104 PWs) bands (ev): -16.0637 -16.0636 -15.1024 -15.0930 -14.4717 -14.4703 -13.9787 -13.9776 -13.9043 -13.9026 -13.4934 -13.4883 -5.7777 -5.7764 -4.5544 -4.5536 -3.1864 -3.1786 -2.4938 -2.4198 -2.3513 -2.3512 -1.5175 -1.4119 -0.9747 -0.9605 0.0918 0.1222 0.1945 0.2827 1.0885 1.1290 1.2500 1.2553 1.9859 2.0121 2.1076 2.1163 2.5158 2.5194 2.6069 2.6124 2.8542 2.8569 2.9876 2.9971 3.3646 3.3717 3.4057 3.4098 7.8798 8.4873 9.6532 9.8186 10.5364 10.8439 11.5687 11.5691 11.9520 12.0018 k = 0.2343-0.3339 0.0000 ( 4102 PWs) bands (ev): -16.0842 -16.0840 -15.0989 -15.0894 -14.4631 -14.4616 -13.9723 -13.9714 -13.9013 -13.8996 -13.4874 -13.4824 -5.7497 -5.7484 -4.5710 -4.5700 -3.2008 -3.1927 -2.5154 -2.4422 -2.3525 -2.3523 -1.5239 -1.4203 -0.9667 -0.9530 0.0898 0.1159 0.2076 0.2956 1.1023 1.1436 1.2796 1.2850 2.0002 2.0205 2.1201 2.1280 2.5037 2.5058 2.6042 2.6090 2.8534 2.8565 2.9747 2.9830 3.3401 3.3481 3.4027 3.4059 7.8724 8.4861 9.6410 9.8106 10.5377 10.8685 11.5491 11.5496 11.9453 12.0103 k = 0.2265-0.3228 0.0000 ( 4098 PWs) bands (ev): -16.1043 -16.1042 -15.0955 -15.0860 -14.4552 -14.4537 -13.9659 -13.9651 -13.8978 -13.8961 -13.4813 -13.4765 -5.7218 -5.7204 -4.5865 -4.5854 -3.2156 -3.2073 -2.5359 -2.4636 -2.3559 -2.3557 -1.5285 -1.4268 -0.9556 -0.9425 0.0857 0.1088 0.2207 0.3069 1.1157 1.1579 1.3081 1.3136 2.0127 2.0263 2.1314 2.1385 2.4927 2.4928 2.6000 2.6039 2.8543 2.8578 2.9614 2.9683 3.3164 3.3249 3.3999 3.4025 7.8660 8.4839 9.6298 9.8033 10.5378 10.8901 11.5295 11.5299 11.9404 12.0202 k = 0.2187-0.3116 0.0000 ( 4090 PWs) bands (ev): -16.1240 -16.1239 -15.0922 -15.0828 -14.4481 -14.4466 -13.9594 -13.9588 -13.8937 -13.8921 -13.4752 -13.4706 -5.6940 -5.6925 -4.6008 -4.5996 -3.2309 -3.2224 -2.5555 -2.4842 -2.3615 -2.3613 -1.5311 -1.4313 -0.9415 -0.9289 0.0801 0.1011 0.2333 0.3167 1.1289 1.1718 1.3353 1.3407 2.0233 2.0293 2.1415 2.1479 2.4806 2.4832 2.5945 2.5974 2.8564 2.8604 2.9479 2.9531 3.2938 3.3025 3.3971 3.3994 7.8606 8.4810 9.6199 9.7967 10.5366 10.9082 11.5097 11.5101 11.9376 12.0314 k = 0.2109-0.3005 0.0000 ( 4090 PWs) bands (ev): -16.1433 -16.1432 -15.0891 -15.0798 -14.4418 -14.4402 -13.9530 -13.9525 -13.8892 -13.8876 -13.4691 -13.4646 -5.6664 -5.6649 -4.6140 -4.6127 -3.2464 -3.2378 -2.5740 -2.5040 -2.3694 -2.3691 -1.5317 -1.4339 -0.9244 -0.9124 0.0734 0.0928 0.2450 0.3250 1.1418 1.1854 1.3609 1.3661 2.0294 2.0316 2.1504 2.1559 2.4697 2.4755 2.5880 2.5896 2.8593 2.8638 2.9343 2.9377 3.2725 3.2811 3.3945 3.3964 7.8565 8.4773 9.6112 9.7911 10.5339 10.9222 11.4898 11.4902 11.9370 12.0435 k = 0.2031-0.2894 0.0000 ( 4092 PWs) bands (ev): -16.1621 -16.1620 -15.0862 -15.0769 -14.4362 -14.4346 -13.9465 -13.9461 -13.8841 -13.8826 -13.4630 -13.4586 -5.6392 -5.6376 -4.6259 -4.6245 -3.2622 -3.2536 -2.5916 -2.5230 -2.3793 -2.3790 -1.5304 -1.4346 -0.9045 -0.8931 0.0660 0.0841 0.2558 0.3318 1.1544 1.1984 1.3848 1.3896 2.0266 2.0374 2.1579 2.1627 2.4602 2.4697 2.5809 2.5810 2.8623 2.8679 2.9210 2.9222 3.2527 3.2611 3.3918 3.3935 7.8537 8.4731 9.6039 9.7865 10.5297 10.9318 11.4697 11.4701 11.9388 12.0565 k = 0.1952-0.2783 0.0000 ( 4090 PWs) bands (ev): -16.1805 -16.1804 -15.0834 -15.0743 -14.4313 -14.4298 -13.9400 -13.9398 -13.8786 -13.8772 -13.4568 -13.4527 -5.6124 -5.6108 -4.6365 -4.6350 -3.2782 -3.2695 -2.6083 -2.5413 -2.3912 -2.3908 -1.5272 -1.4335 -0.8819 -0.8711 0.0580 0.0752 0.2655 0.3371 1.1666 1.2109 1.4067 1.4111 2.0210 2.0406 2.1640 2.1681 2.4522 2.4658 2.5716 2.5732 2.8648 2.8720 2.9067 2.9086 3.2345 3.2425 3.3891 3.3905 7.8523 8.4685 9.5982 9.7831 10.5241 10.9367 11.4494 11.4498 11.9430 12.0701 k = 0.1874-0.2671 0.0000 ( 4084 PWs) bands (ev): -16.1984 -16.1983 -15.0808 -15.0718 -14.4272 -14.4256 -13.9336 -13.9335 -13.8727 -13.8713 -13.4507 -13.4467 -5.5861 -5.5845 -4.6458 -4.6442 -3.2942 -3.2856 -2.6242 -2.5589 -2.4049 -2.4044 -1.5221 -1.4305 -0.8569 -0.8467 0.0498 0.0661 0.2741 0.3409 1.1784 1.2227 1.4265 1.4305 2.0128 2.0410 2.1690 2.1723 2.4460 2.4637 2.5617 2.5652 2.8652 2.8756 2.8920 2.8983 3.2182 3.2257 3.3863 3.3874 7.8524 8.4635 9.5941 9.7810 10.5172 10.9369 11.4288 11.4292 11.9496 12.0840 k = 0.1796-0.2560 0.0000 ( 4080 PWs) bands (ev): -16.2157 -16.2156 -15.0783 -15.0695 -14.4237 -14.4221 -13.9272 -13.9272 -13.8665 -13.8651 -13.4447 -13.4409 -5.5606 -5.5589 -4.6536 -4.6520 -3.3102 -3.3018 -2.6393 -2.5758 -2.4202 -2.4196 -1.5152 -1.4258 -0.8296 -0.8200 0.0413 0.0570 0.2814 0.3434 1.1896 1.2337 1.4441 1.4476 2.0025 2.0387 2.1727 2.1754 2.4415 2.4632 2.5514 2.5570 2.8614 2.8729 2.8836 2.8923 3.2037 3.2106 3.3834 3.3842 7.8540 8.4582 9.5916 9.7801 10.5092 10.9325 11.4079 11.4085 11.9582 12.0979 k = 0.1718-0.2449 0.0000 ( 4084 PWs) bands (ev): -16.2325 -16.2324 -15.0760 -15.0674 -14.4207 -14.4192 -13.9210 -13.9209 -13.8599 -13.8587 -13.4387 -13.4351 -5.5359 -5.5342 -4.6600 -4.6583 -3.3261 -3.3178 -2.6537 -2.5922 -2.4369 -2.4363 -1.5066 -1.4195 -0.8003 -0.7914 0.0329 0.0480 0.2877 0.3447 1.2002 1.2437 1.4595 1.4623 1.9904 2.0337 2.1753 2.1775 2.4386 2.4638 2.5408 2.5486 2.8529 2.8598 2.8858 2.8909 3.1913 3.1974 3.3803 3.3808 7.8571 8.4527 9.5909 9.7807 10.5002 10.9237 11.3866 11.3874 11.9687 12.1117 k = 0.1640-0.2337 0.0000 ( 4086 PWs) bands (ev): -16.2487 -16.2487 -15.0738 -15.0655 -14.4184 -14.4168 -13.9149 -13.9147 -13.8532 -13.8519 -13.4328 -13.4294 -5.5122 -5.5104 -4.6649 -4.6631 -3.3418 -3.3338 -2.6673 -2.6079 -2.4549 -2.4542 -1.4964 -1.4116 -0.7693 -0.7610 0.0245 0.0391 0.2928 0.3447 1.2099 1.2525 1.4726 1.4748 1.9770 2.0262 2.1770 2.1787 2.4369 2.4652 2.5300 2.5401 2.8421 2.8459 2.8889 2.8920 3.1808 3.1862 3.3771 3.3773 7.8619 8.4470 9.5919 9.7826 10.4905 10.9108 11.3650 11.3660 11.9806 12.1250 k = 0.1562-0.2226 0.0000 ( 4084 PWs) bands (ev): -16.2643 -16.2643 -15.0718 -15.0637 -14.4165 -14.4150 -13.9089 -13.9086 -13.8462 -13.8450 -13.4271 -13.4238 -5.4895 -5.4877 -4.6683 -4.6665 -3.3573 -3.3495 -2.6803 -2.6231 -2.4739 -2.4731 -1.4846 -1.4024 -0.7370 -0.7293 0.0165 0.0306 0.2968 0.3437 1.2187 1.2598 1.4835 1.4850 1.9629 2.0168 2.1779 2.1793 2.4362 2.4668 2.5190 2.5313 2.8308 2.8326 2.8918 2.8938 3.1723 3.1768 3.3737 3.3738 7.8682 8.4411 9.5948 9.7861 10.4804 10.8943 11.3430 11.3442 11.9937 12.1378 k = 0.1484-0.2115 0.0000 ( 4085 PWs) bands (ev): -16.2793 -16.2793 -15.0700 -15.0621 -14.4151 -14.4136 -13.9030 -13.9026 -13.8391 -13.8380 -13.4215 -13.4183 -5.4679 -5.4662 -4.6701 -4.6682 -3.3724 -3.3649 -2.6927 -2.6377 -2.4938 -2.4929 -1.4716 -1.3919 -0.7035 -0.6965 0.0088 0.0225 0.2999 0.3418 1.2263 1.2655 1.4922 1.4932 1.9485 2.0057 2.1782 2.1794 2.4359 2.4679 2.5083 2.5225 2.8198 2.8201 2.8943 2.8959 3.1655 3.1693 3.3699 3.3703 7.8762 8.4351 9.5994 9.7911 10.4701 10.8746 11.3205 11.3219 12.0076 12.1499 k = 0.1406-0.2003 0.0000 ( 4087 PWs) bands (ev): -16.2937 -16.2936 -15.0683 -15.0607 -14.4142 -14.4127 -13.8972 -13.8968 -13.8320 -13.8310 -13.4160 -13.4131 -5.4477 -5.4459 -4.6704 -4.6685 -3.3871 -3.3799 -2.7044 -2.6518 -2.5143 -2.5133 -1.4573 -1.3804 -0.6693 -0.6629 0.0017 0.0150 0.3021 0.3390 1.2326 1.2692 1.4989 1.4994 1.9342 1.9933 2.1780 2.1792 2.4355 2.4674 2.4985 2.5136 2.8086 2.8094 2.8966 2.8980 3.1603 3.1634 3.3660 3.3667 7.8856 8.4289 9.6059 9.7975 10.4599 10.8522 11.2974 11.2992 12.0219 12.1611 k = 0.1328-0.1892 0.0000 ( 4089 PWs) bands (ev): -16.3074 -16.3073 -15.0667 -15.0594 -14.4135 -14.4121 -13.8916 -13.8912 -13.8249 -13.8239 -13.4107 -13.4079 -5.4288 -5.4271 -4.6691 -4.6672 -3.4013 -3.3945 -2.7156 -2.6654 -2.5352 -2.5341 -1.4420 -1.3679 -0.6346 -0.6290 -0.0047 0.0082 0.3035 0.3356 1.2373 1.2707 1.5037 1.5040 1.9205 1.9803 2.1776 2.1789 2.4343 2.4635 2.4912 2.5049 2.7983 2.8001 2.8987 2.9000 3.1565 3.1590 3.3619 3.3629 7.8966 8.4225 9.6142 9.8055 10.4500 10.8277 11.2739 11.2758 12.0363 12.1713 k = 0.1250-0.1781 0.0000 ( 4087 PWs) bands (ev): -16.3204 -16.3203 -15.0653 -15.0583 -14.4132 -14.4118 -13.8862 -13.8857 -13.8178 -13.8169 -13.4056 -13.4030 -5.4113 -5.4097 -4.6664 -4.6645 -3.4149 -3.4085 -2.7262 -2.6785 -2.5564 -2.5551 -1.4257 -1.3547 -0.6000 -0.5950 -0.0103 0.0022 0.3041 0.3316 1.2403 1.2699 1.5068 1.5072 1.9077 1.9669 2.1771 2.1786 2.4318 2.4552 2.4870 2.4966 2.7893 2.7919 2.9007 2.9021 3.1538 3.1558 3.3578 3.3590 7.9090 8.4158 9.6244 9.8149 10.4409 10.8014 11.2497 11.2519 12.0507 12.1805 k = 0.1171-0.1670 0.0000 ( 4085 PWs) bands (ev): -16.3327 -16.3326 -15.0639 -15.0573 -14.4131 -14.4118 -13.8810 -13.8805 -13.8109 -13.8101 -13.4007 -13.3983 -5.3954 -5.3937 -4.6622 -4.6603 -3.4280 -3.4220 -2.7361 -2.6911 -2.5775 -2.5762 -1.4088 -1.3409 -0.5657 -0.5615 -0.0150 -0.0028 0.3041 0.3272 1.2414 1.2666 1.5085 1.5092 1.8961 1.9537 2.1766 2.1785 2.4275 2.4439 2.4846 2.4890 2.7817 2.7851 2.9026 2.9042 3.1522 3.1537 3.3536 3.3551 7.9227 8.4087 9.6362 9.8256 10.4326 10.7739 11.2248 11.2274 12.0648 12.1887 k = 0.1093-0.1558 0.0000 ( 4087 PWs) bands (ev): -16.3443 -16.3442 -15.0627 -15.0565 -14.4132 -14.4120 -13.8760 -13.8755 -13.8042 -13.8034 -13.3960 -13.3938 -5.3809 -5.3793 -4.6568 -4.6549 -3.4404 -3.4348 -2.7456 -2.7032 -2.5985 -2.5971 -1.3914 -1.3268 -0.5323 -0.5287 -0.0185 -0.0067 0.3036 0.3226 1.2405 1.2610 1.5088 1.5102 1.8858 1.9409 2.1763 2.1786 2.4210 2.4311 2.4823 2.4823 2.7757 2.7796 2.9045 2.9062 3.1513 3.1525 3.3494 3.3510 7.9378 8.4012 9.6498 9.8376 10.4255 10.7456 11.1994 11.2021 12.0784 12.1958 k = 0.1015-0.1447 0.0000 ( 4083 PWs) bands (ev): -16.3551 -16.3551 -15.0616 -15.0558 -14.4135 -14.4123 -13.8713 -13.8707 -13.7977 -13.7969 -13.3915 -13.3895 -5.3679 -5.3664 -4.6502 -4.6484 -3.4522 -3.4469 -2.7544 -2.7147 -2.6190 -2.6176 -1.3736 -1.3126 -0.5001 -0.4972 -0.0206 -0.0092 0.3026 0.3178 1.2377 1.2531 1.5080 1.5103 1.8770 1.9290 2.1763 2.1789 2.4124 2.4176 2.4762 2.4795 2.7711 2.7754 2.9064 2.9083 3.1510 3.1519 3.3452 3.3470 7.9540 8.3932 9.6650 9.8505 10.4198 10.7170 11.1733 11.1763 12.0915 12.2018 k = 0.0937-0.1336 0.0000 ( 4089 PWs) bands (ev): -16.3652 -16.3652 -15.0606 -15.0552 -14.4139 -14.4128 -13.8668 -13.8662 -13.7914 -13.7908 -13.3874 -13.3855 -5.3563 -5.3549 -4.6427 -4.6410 -3.4632 -3.4583 -2.7627 -2.7259 -2.6389 -2.6375 -1.3558 -1.2985 -0.4696 -0.4673 -0.0213 -0.0104 0.3012 0.3130 1.2329 1.2433 1.5062 1.5095 1.8699 1.9182 2.1765 2.1796 2.4022 2.4037 2.4706 2.4759 2.7680 2.7726 2.9083 2.9103 3.1512 3.1519 3.3410 3.3429 7.9712 8.3846 9.6817 9.8641 10.4157 10.6884 11.1467 11.1498 12.1040 12.2068 k = 0.0859-0.1224 0.0000 ( 4089 PWs) bands (ev): -16.3746 -16.3746 -15.0597 -15.0546 -14.4145 -14.4134 -13.8626 -13.8620 -13.7855 -13.7850 -13.3835 -13.3818 -5.3461 -5.3448 -4.6345 -4.6329 -3.4734 -3.4689 -2.7705 -2.7365 -2.6579 -2.6565 -1.3381 -1.2847 -0.4412 -0.4396 -0.0204 -0.0100 0.2997 0.3084 1.2263 1.2319 1.5037 1.5079 1.8644 1.9087 2.1771 2.1806 2.3899 2.3908 2.4651 2.4715 2.7662 2.7710 2.9101 2.9123 3.1516 3.1522 3.3369 3.3389 7.9894 8.3753 9.6997 9.8782 10.4133 10.6603 11.1197 11.1229 12.1157 12.2108 k = 0.0781-0.1113 0.0000 ( 4093 PWs) bands (ev): -16.3832 -16.3832 -15.0589 -15.0542 -14.4150 -14.4141 -13.8587 -13.8582 -13.7800 -13.7795 -13.3798 -13.3783 -5.3372 -5.3360 -4.6258 -4.6243 -3.4828 -3.4787 -2.7778 -2.7468 -2.6758 -2.6745 -1.3207 -1.2714 -0.4154 -0.4143 -0.0178 -0.0080 0.2979 0.3040 1.2182 1.2195 1.5004 1.5055 1.8606 1.9006 2.1780 2.1818 2.3763 2.3788 2.4596 2.4663 2.7656 2.7705 2.9118 2.9141 3.1524 3.1528 3.3330 3.3350 8.0085 8.3652 9.7190 9.8924 10.4127 10.6332 11.0924 11.0956 12.1268 12.2138 k = 0.0703-0.1002 0.0000 ( 4087 PWs) bands (ev): -16.3910 -16.3910 -15.0581 -15.0539 -14.4156 -14.4148 -13.8551 -13.8546 -13.7749 -13.7744 -13.3765 -13.3751 -5.3296 -5.3285 -4.6168 -4.6154 -3.4914 -3.4877 -2.7845 -2.7567 -2.6923 -2.6913 -1.3038 -1.2588 -0.3923 -0.3917 -0.0135 -0.0045 0.2960 0.2999 1.2066 1.2088 1.4967 1.5024 1.8583 1.8939 2.1792 2.1833 2.3630 2.3665 2.4539 2.4606 2.7659 2.7707 2.9135 2.9158 3.1532 3.1536 3.3292 3.3312 8.0282 8.3543 9.7392 9.9060 10.4139 10.6076 11.0652 11.0683 12.1372 12.2159 k = 0.0625-0.0890 0.0000 ( 4081 PWs) bands (ev): -16.3980 -16.3980 -15.0574 -15.0537 -14.4163 -14.4155 -13.8518 -13.8514 -13.7702 -13.7698 -13.3735 -13.3723 -5.3231 -5.3221 -4.6079 -4.6066 -3.4991 -3.4958 -2.7907 -2.7662 -2.7072 -2.7066 -1.2877 -1.2472 -0.3723 -0.3720 -0.0078 0.0004 0.2941 0.2962 1.1935 1.1986 1.4927 1.4987 1.8573 1.8886 2.1808 2.1851 2.3504 2.3542 2.4483 2.4546 2.7670 2.7716 2.9150 2.9172 3.1542 3.1545 3.3257 3.3276 8.0485 8.3425 9.7603 9.9186 10.4169 10.5837 11.0383 11.0413 12.1468 12.2171 k = 0.0547-0.0779 0.0000 ( 4081 PWs) bands (ev): -16.4042 -16.4042 -15.0568 -15.0535 -14.4168 -14.4161 -13.8489 -13.8485 -13.7660 -13.7657 -13.3708 -13.3698 -5.3176 -5.3167 -4.5992 -4.5981 -3.5059 -3.5030 -2.7964 -2.7753 -2.7204 -2.7202 -1.2726 -1.2367 -0.3554 -0.3553 -0.0009 0.0064 0.2923 0.2930 1.1810 1.1879 1.4885 1.4945 1.8576 1.8845 2.1827 2.1870 2.3386 2.3424 2.4427 2.4485 2.7686 2.7728 2.9165 2.9185 3.1552 3.1554 3.3225 3.3243 8.0692 8.3298 9.7819 9.9296 10.4215 10.5621 11.0122 11.0149 12.1558 12.2175 k = 0.0469-0.0668 0.0000 ( 4079 PWs) bands (ev): -16.4096 -16.4096 -15.0563 -15.0534 -14.4174 -14.4168 -13.8463 -13.8460 -13.7623 -13.7620 -13.3685 -13.3676 -5.3130 -5.3123 -4.5911 -4.5902 -3.5118 -3.5094 -2.8016 -2.7839 -2.7320 -2.7317 -1.2587 -1.2276 -0.3416 -0.3415 0.0068 0.0131 0.2903 0.2905 1.1693 1.1773 1.4844 1.4901 1.8587 1.8814 2.1848 2.1890 2.3277 2.3312 2.4375 2.4426 2.7706 2.7743 2.9177 2.9196 3.1561 3.1563 3.3196 3.3213 8.0902 8.3160 9.8037 9.9383 10.4276 10.5430 10.9874 10.9898 12.1641 12.2171 k = 0.0390-0.0557 0.0000 ( 4079 PWs) bands (ev): -16.4142 -16.4142 -15.0558 -15.0534 -14.4179 -14.4173 -13.8441 -13.8438 -13.7592 -13.7589 -13.3664 -13.3657 -5.3093 -5.3087 -4.5838 -4.5830 -3.5168 -3.5148 -2.8063 -2.7919 -2.7418 -2.7411 -1.2461 -1.2200 -0.3305 -0.3304 0.0147 0.0199 0.2882 0.2889 1.1588 1.1671 1.4805 1.4857 1.8605 1.8791 2.1871 2.1911 2.3179 2.3210 2.4327 2.4370 2.7726 2.7758 2.9188 2.9205 3.1569 3.1572 3.3171 3.3185 8.1114 8.3013 9.8255 9.9441 10.4349 10.5266 10.9645 10.9665 12.1718 12.2161 k = 0.0312-0.0445 0.0000 ( 4079 PWs) bands (ev): -16.4180 -16.4180 -15.0553 -15.0534 -14.4183 -14.4178 -13.8423 -13.8421 -13.7565 -13.7563 -13.3648 -13.3642 -5.3064 -5.3059 -4.5775 -4.5768 -3.5209 -3.5193 -2.8102 -2.7991 -2.7497 -2.7487 -1.2351 -1.2140 -0.3220 -0.3218 0.0223 0.0264 0.2865 0.2875 1.1501 1.1577 1.4772 1.4816 1.8627 1.8774 2.1895 2.1929 2.3095 2.3119 2.4286 2.4321 2.7745 2.7772 2.9197 2.9211 3.1577 3.1579 3.3150 3.3162 8.1325 8.2857 9.8468 9.9464 10.4429 10.5128 10.9442 10.9458 12.1788 12.2143 k = 0.0234-0.0334 0.0000 ( 4079 PWs) bands (ev): -16.4209 -16.4209 -15.0549 -15.0535 -14.4186 -14.4183 -13.8409 -13.8407 -13.7545 -13.7543 -13.3634 -13.3630 -5.3042 -5.3038 -4.5724 -4.5718 -3.5240 -3.5228 -2.8133 -2.8052 -2.7556 -2.7545 -1.2257 -1.2099 -0.3157 -0.3155 0.0290 0.0320 0.2853 0.2864 1.1433 1.1496 1.4745 1.4780 1.8651 1.8759 2.1917 2.1946 2.3026 2.3044 2.4253 2.4280 2.7763 2.7783 2.9205 2.9216 3.1583 3.1585 3.3134 3.3143 8.1534 8.2690 9.8673 9.9451 10.4514 10.5015 10.9272 10.9284 12.1853 12.2119 k = 0.0156-0.0223 0.0000 ( 4081 PWs) bands (ev): -16.4230 -16.4230 -15.0546 -15.0536 -14.4188 -14.4186 -13.8399 -13.8397 -13.7530 -13.7529 -13.3625 -13.3622 -5.3026 -5.3023 -4.5685 -4.5682 -3.5262 -3.5254 -2.8153 -2.8101 -2.7596 -2.7587 -1.2182 -1.2076 -0.3114 -0.3112 0.0342 0.0362 0.2846 0.2854 1.1387 1.1432 1.4726 1.4751 1.8674 1.8746 2.1937 2.1957 2.2975 2.2987 2.4230 2.4248 2.7777 2.7791 2.9211 2.9218 3.1588 3.1589 3.3123 3.3129 8.1741 8.2515 9.8865 9.9399 10.4598 10.4920 10.9145 10.9152 12.1911 12.2089 k = 0.0078-0.0111 0.0000 ( 4085 PWs) bands (ev): -16.4242 -16.4242 -15.0543 -15.0538 -14.4189 -14.4188 -13.8392 -13.8392 -13.7521 -13.7520 -13.3619 -13.3617 -5.3016 -5.3015 -4.5662 -4.5660 -3.5275 -3.5271 -2.8161 -2.8136 -2.7618 -2.7613 -1.2126 -1.2073 -0.3088 -0.3088 0.0377 0.0387 0.2843 0.2848 1.1363 1.1387 1.4717 1.4730 1.8696 1.8731 2.1952 2.1963 2.2945 2.2951 2.4217 2.4226 2.7787 2.7794 2.9215 2.9219 3.1591 3.1591 3.3117 3.3120 8.1944 8.2332 9.9038 9.9310 10.4680 10.4837 10.9065 10.9069 12.1964 12.2053 k = 0.0000 0.0000 0.0000 ( 4079 PWs) bands (ev): -16.4247 -16.4247 -15.0540 -15.0540 -14.4189 -14.4189 -13.8390 -13.8390 -13.7518 -13.7518 -13.3616 -13.3616 -5.3013 -5.3013 -4.5653 -4.5653 -3.5277 -3.5277 -2.8156 -2.8156 -2.7624 -2.7624 -1.2089 -1.2089 -0.3080 -0.3080 0.0393 0.0393 0.2844 0.2844 1.1364 1.1364 1.4718 1.4718 1.8715 1.8715 2.1961 2.1961 2.2936 2.2936 2.4216 2.4216 2.7793 2.7793 2.9218 2.9218 3.1592 3.1592 3.3116 3.3116 8.2141 8.2141 9.9189 9.9189 10.4759 10.4759 10.9040 10.9040 12.2011 12.2011 k = 0.0000 0.0000 0.0000 ( 4079 PWs) bands (ev): -16.4247 -16.4247 -15.0540 -15.0540 -14.4189 -14.4189 -13.8390 -13.8390 -13.7518 -13.7518 -13.3616 -13.3616 -5.3013 -5.3013 -4.5653 -4.5653 -3.5277 -3.5277 -2.8156 -2.8156 -2.7624 -2.7624 -1.2089 -1.2089 -0.3080 -0.3080 0.0393 0.0393 0.2844 0.2844 1.1364 1.1364 1.4718 1.4718 1.8715 1.8715 2.1961 2.1961 2.2936 2.2936 2.4216 2.4216 2.7793 2.7793 2.9218 2.9218 3.1592 3.1592 3.3116 3.3116 8.2141 8.2141 9.9189 9.9189 10.4759 10.4759 10.9040 10.9040 12.2011 12.2011 k = 0.0128-0.0046-0.0022 ( 4081 PWs) bands (ev): -16.4242 -16.4241 -15.0543 -15.0538 -14.4190 -14.4186 -13.8395 -13.8394 -13.7522 -13.7517 -13.3622 -13.3616 -5.3015 -5.3012 -4.5669 -4.5667 -3.5273 -3.5267 -2.8183 -2.8106 -2.7642 -2.7584 -1.2138 -1.2057 -0.3097 -0.3084 0.0286 0.0476 0.2807 0.2889 1.1324 1.1419 1.4625 1.4820 1.8657 1.8705 2.1941 2.2026 2.2942 2.2965 2.4217 2.4227 2.7786 2.7793 2.9217 2.9222 3.1590 3.1591 3.3115 3.3118 8.1961 8.2315 9.9045 9.9308 10.4650 10.4861 10.8975 10.9160 12.1948 12.2076 k = 0.0256-0.0093-0.0044 ( 4079 PWs) bands (ev): -16.4228 -16.4226 -15.0545 -15.0535 -14.4190 -14.4181 -13.8407 -13.8405 -13.7529 -13.7519 -13.3634 -13.3621 -5.3019 -5.3013 -4.5713 -4.5709 -3.5253 -3.5242 -2.8188 -2.8038 -2.7635 -2.7521 -1.2203 -1.2042 -0.3137 -0.3109 0.0163 0.0531 0.2782 0.2939 1.1300 1.1487 1.4543 1.4927 1.8539 1.8627 2.1970 2.2119 2.2978 2.3034 2.4231 2.4250 2.7771 2.7786 2.9221 2.9230 3.1584 3.1588 3.3115 3.3121 8.1776 8.2481 9.8878 9.9405 10.4541 10.4951 10.8971 10.9327 12.1886 12.2142 k = 0.0385-0.0139-0.0066 ( 4079 PWs) bands (ev): -16.4204 -16.4201 -15.0548 -15.0532 -14.4188 -14.4175 -13.8428 -13.8425 -13.7538 -13.7524 -13.3652 -13.3633 -5.3026 -5.3016 -4.5784 -4.5777 -3.5219 -3.5202 -2.8175 -2.7965 -2.7590 -2.7432 -1.2283 -1.2043 -0.3201 -0.3154 0.0032 0.0556 0.2771 0.2991 1.1291 1.1559 1.4478 1.5036 1.8375 1.8493 2.2042 2.2223 2.3041 2.3145 2.4257 2.4289 2.7751 2.7773 2.9228 2.9242 3.1575 3.1580 3.3117 3.3126 8.1586 8.2641 9.8689 9.9478 10.4438 10.5027 10.9032 10.9532 12.1826 12.2207 k = 0.0513-0.0185-0.0087 ( 4078 PWs) bands (ev): -16.4171 -16.4167 -15.0551 -15.0530 -14.4185 -14.4167 -13.8457 -13.8454 -13.7550 -13.7532 -13.3675 -13.3650 -5.3035 -5.3022 -4.5880 -4.5870 -3.5169 -3.5147 -2.8152 -2.7909 -2.7492 -2.7313 -1.2378 -1.2061 -0.3289 -0.3218 -0.0102 0.0551 0.2774 0.3042 1.1291 1.1627 1.4436 1.5146 1.8177 1.8320 2.2141 2.2324 2.3125 2.3292 2.4300 2.4350 2.7724 2.7753 2.9239 2.9258 3.1562 3.1569 3.3120 3.3132 8.1392 8.2793 9.8479 9.9529 10.4348 10.5093 10.9155 10.9765 12.1769 12.2270 k = 0.0641-0.0232-0.0109 ( 4077 PWs) bands (ev): -16.4128 -16.4123 -15.0554 -15.0528 -14.4180 -14.4158 -13.8494 -13.8491 -13.7564 -13.7542 -13.3704 -13.3673 -5.3049 -5.3032 -4.5998 -4.5984 -3.5105 -3.5076 -2.8123 -2.7873 -2.7337 -2.7159 -1.2486 -1.2094 -0.3402 -0.3299 -0.0230 0.0521 0.2791 0.3091 1.1295 1.1677 1.4424 1.5252 1.7958 1.8125 2.2254 2.2422 2.3225 2.3458 2.4364 2.4441 2.7692 2.7727 2.9255 2.9277 3.1545 3.1553 3.3126 3.3141 8.1195 8.2937 9.8250 9.9558 10.4275 10.5157 10.9333 11.0018 12.1714 12.2330 k = 0.0769-0.0278-0.0131 ( 4079 PWs) bands (ev): -16.4075 -16.4070 -15.0556 -15.0526 -14.4174 -14.4149 -13.8540 -13.8536 -13.7578 -13.7553 -13.3738 -13.3701 -5.3069 -5.3048 -4.6133 -4.6114 -3.5026 -3.4990 -2.8092 -2.7852 -2.7139 -2.6971 -1.2607 -1.2142 -0.3539 -0.3397 -0.0348 0.0472 0.2818 0.3137 1.1296 1.1699 1.4445 1.5352 1.7727 1.7925 2.2366 2.2518 2.3333 2.3621 2.4455 2.4572 2.7658 2.7697 2.9274 2.9301 3.1524 3.1532 3.3135 3.3153 8.0997 8.3074 9.8006 9.9568 10.4220 10.5225 10.9556 11.0285 12.1660 12.2384 k = 0.0897-0.0325-0.0153 ( 4077 PWs) bands (ev): -16.4013 -16.4007 -15.0560 -15.0524 -14.4168 -14.4139 -13.8595 -13.8589 -13.7593 -13.7566 -13.3776 -13.3734 -5.3095 -5.3070 -4.6282 -4.6258 -3.4932 -3.4888 -2.8062 -2.7836 -2.6909 -2.6751 -1.2737 -1.2203 -0.3696 -0.3510 -0.0453 0.0409 0.2852 0.3179 1.1286 1.1686 1.4500 1.5441 1.7497 1.7733 2.2471 2.2617 2.3440 2.3762 2.4578 2.4751 2.7623 2.7665 2.9297 2.9329 3.1497 3.1507 3.3147 3.3169 8.0798 8.3204 9.7749 9.9560 10.4186 10.5307 10.9815 11.0561 12.1607 12.2433 k = 0.1026-0.0371-0.0175 ( 4080 PWs) bands (ev): -16.3943 -16.3936 -15.0563 -15.0522 -14.4162 -14.4129 -13.8658 -13.8651 -13.7609 -13.7580 -13.3820 -13.3772 -5.3131 -5.3102 -4.6441 -4.6410 -3.4824 -3.4770 -2.8033 -2.7822 -2.6658 -2.6503 -1.2874 -1.2276 -0.3871 -0.3637 -0.0542 0.0339 0.2890 0.3216 1.1256 1.1634 1.4582 1.5513 1.7279 1.7561 2.2566 2.2719 2.3537 2.3873 2.4735 2.4970 2.7592 2.7634 2.9324 2.9361 3.1465 3.1477 3.3164 3.3188 8.0601 8.3325 9.7482 9.9536 10.4173 10.5407 11.0100 11.0843 12.1555 12.2475 k = 0.1154-0.0417-0.0197 ( 4087 PWs) bands (ev): -16.3863 -16.3855 -15.0567 -15.0521 -14.4157 -14.4120 -13.8729 -13.8719 -13.7624 -13.7593 -13.3868 -13.3814 -5.3178 -5.3145 -4.6603 -4.6565 -3.4701 -3.4636 -2.8005 -2.7807 -2.6391 -2.6234 -1.3016 -1.2358 -0.4059 -0.3774 -0.0616 0.0266 0.2929 0.3249 1.1196 1.1550 1.4676 1.5564 1.7085 1.7417 2.2653 2.2822 2.3623 2.3960 2.4919 2.5212 2.7571 2.7611 2.9355 2.9397 3.1429 3.1444 3.3184 3.3211 8.0407 8.3439 9.7210 9.9500 10.4181 10.5529 11.0405 11.1126 12.1501 12.2509 k = 0.1282-0.0464-0.0219 ( 4080 PWs) bands (ev): -16.3775 -16.3766 -15.0571 -15.0521 -14.4153 -14.4112 -13.8807 -13.8794 -13.7638 -13.7607 -13.3920 -13.3861 -5.3238 -5.3201 -4.6765 -4.6719 -3.4565 -3.4488 -2.7977 -2.7791 -2.6113 -2.5949 -1.3159 -1.2445 -0.4255 -0.3921 -0.0675 0.0196 0.2965 0.3277 1.1097 1.1443 1.4759 1.5594 1.6924 1.7311 2.2736 2.2921 2.3696 2.4030 2.5120 2.5454 2.7567 2.7608 2.9388 2.9437 3.1391 3.1408 3.3208 3.3238 8.0218 8.3545 9.6936 9.9453 10.4210 10.5675 11.0723 11.1410 12.1446 12.2535 k = 0.1410-0.0510-0.0240 ( 4084 PWs) bands (ev): -16.3678 -16.3668 -15.0575 -15.0521 -14.4150 -14.4106 -13.8891 -13.8875 -13.7652 -13.7620 -13.3976 -13.3912 -5.3313 -5.3271 -4.6922 -4.6869 -3.4415 -3.4325 -2.7948 -2.7772 -2.5829 -2.5657 -1.3299 -1.2535 -0.4455 -0.4075 -0.0721 0.0129 0.2998 0.3300 1.0954 1.1320 1.4810 1.5610 1.6804 1.7247 2.2815 2.3016 2.3758 2.4091 2.5319 2.5670 2.7585 2.7646 2.9423 2.9481 3.1351 3.1372 3.3237 3.3269 8.0036 8.3643 9.6664 9.9398 10.4258 10.5844 11.1048 11.1693 12.1388 12.2552 k = 0.1538-0.0556-0.0262 ( 4087 PWs) bands (ev): -16.3573 -16.3563 -15.0581 -15.0522 -14.4150 -14.4103 -13.8980 -13.8961 -13.7665 -13.7632 -13.4035 -13.3967 -5.3404 -5.3358 -4.7071 -4.7010 -3.4253 -3.4150 -2.7918 -2.7751 -2.5544 -2.5363 -1.3431 -1.2624 -0.4653 -0.4232 -0.0757 0.0069 0.3025 0.3319 1.0769 1.1182 1.4811 1.5614 1.6730 1.7220 2.2892 2.3106 2.3814 2.4144 2.5496 2.5832 2.7637 2.7747 2.9461 2.9529 3.1313 3.1340 3.3270 3.3303 7.9862 8.3733 9.6395 9.9337 10.4325 10.6033 11.1378 11.1974 12.1327 12.2560 k = 0.1667-0.0603-0.0284 ( 4088 PWs) bands (ev): -16.3461 -16.3450 -15.0587 -15.0525 -14.4154 -14.4104 -13.9072 -13.9049 -13.7677 -13.7644 -13.4097 -13.4025 -5.3512 -5.3461 -4.7207 -4.7140 -3.4080 -3.3962 -2.7887 -2.7727 -2.5263 -2.5074 -1.3552 -1.2706 -0.4847 -0.4392 -0.0782 0.0015 0.3044 0.3334 1.0552 1.1026 1.4769 1.5602 1.6706 1.7221 2.2966 2.3189 2.3862 2.4190 2.5633 2.5924 2.7739 2.7918 2.9500 2.9582 3.1279 3.1314 3.3307 3.3342 7.9698 8.3816 9.6134 9.9272 10.4409 10.6241 11.1708 11.2254 12.1262 12.2560 k = 0.1795-0.0649-0.0306 ( 4084 PWs) bands (ev): -16.3341 -16.3329 -15.0594 -15.0528 -14.4161 -14.4109 -13.9167 -13.9140 -13.7688 -13.7656 -13.4162 -13.4086 -5.3637 -5.3582 -4.7330 -4.7256 -3.3897 -3.3764 -2.7853 -2.7699 -2.4992 -2.4795 -1.3655 -1.2777 -0.5034 -0.4551 -0.0801 -0.0032 0.3054 0.3344 1.0312 1.0847 1.4697 1.5564 1.6727 1.7238 2.3038 2.3268 2.3904 2.4231 2.5715 2.5947 2.7903 2.8151 2.9540 2.9640 3.1252 3.1299 3.3349 3.3384 7.9546 8.3890 9.5883 9.9203 10.4509 10.6463 11.2037 11.2531 12.1192 12.2552 k = 0.1923-0.0696-0.0328 ( 4084 PWs) bands (ev): -16.3214 -16.3202 -15.0603 -15.0533 -14.4174 -14.4119 -13.9262 -13.9232 -13.7699 -13.7666 -13.4229 -13.4150 -5.3780 -5.3720 -4.7436 -4.7356 -3.3706 -3.3558 -2.7815 -2.7666 -2.4735 -2.4532 -1.3736 -1.2831 -0.5212 -0.4708 -0.0814 -0.0073 0.3054 0.3351 1.0055 1.0646 1.4614 1.5501 1.6777 1.7258 2.3109 2.3341 2.3938 2.4264 2.5740 2.5916 2.8124 2.8421 2.9583 2.9708 3.1236 3.1302 3.3394 3.3429 7.9408 8.3955 9.5642 9.9133 10.4622 10.6697 11.2362 11.2808 12.1119 12.2536 k = 0.2051-0.0742-0.0350 ( 4087 PWs) bands (ev): -16.3081 -16.3068 -15.0612 -15.0539 -14.4193 -14.4136 -13.9356 -13.9323 -13.7709 -13.7676 -13.4298 -13.4216 -5.3938 -5.3875 -4.7526 -4.7441 -3.3509 -3.3346 -2.7774 -2.7629 -2.4497 -2.4288 -1.3789 -1.2864 -0.5378 -0.4862 -0.0823 -0.0108 0.3043 0.3355 0.9787 1.0424 1.4531 1.5420 1.6837 1.7275 2.3179 2.3409 2.3963 2.4287 2.5717 2.5848 2.8388 2.8699 2.9629 2.9791 3.1235 3.1331 3.3444 3.3479 7.9285 8.4012 9.5415 9.9061 10.4747 10.6939 11.2683 11.3082 12.1041 12.2512 k = 0.2179-0.0788-0.0372 ( 4085 PWs) bands (ev): -16.2942 -16.2929 -15.0623 -15.0547 -14.4218 -14.4160 -13.9446 -13.9411 -13.7718 -13.7685 -13.4369 -13.4284 -5.4111 -5.4044 -4.7599 -4.7510 -3.3308 -3.3130 -2.7727 -2.7586 -2.4282 -2.4068 -1.3809 -1.2871 -0.5533 -0.5010 -0.0831 -0.0138 0.3021 0.3356 0.9513 1.0184 1.4453 1.5330 1.6889 1.7281 2.3248 2.3471 2.3977 2.4298 2.5658 2.5764 2.8668 2.8954 2.9684 2.9898 3.1253 3.1394 3.3499 3.3534 7.9178 8.4058 9.5203 9.8986 10.4881 10.7185 11.2997 11.3356 12.0961 12.2480 k = 0.2308-0.0835-0.0393 ( 4089 PWs) bands (ev): -16.2798 -16.2784 -15.0636 -15.0558 -14.4250 -14.4191 -13.9533 -13.9495 -13.7727 -13.7694 -13.4442 -13.4354 -5.4297 -5.4227 -4.7656 -4.7564 -3.3107 -3.2914 -2.7675 -2.7537 -2.4093 -2.3873 -1.3794 -1.2849 -0.5676 -0.5153 -0.0837 -0.0164 0.2989 0.3353 0.9237 0.9929 1.4384 1.5235 1.6918 1.7276 2.3318 2.3524 2.3979 2.4294 2.5572 2.5676 2.8931 2.9163 2.9762 3.0034 3.1297 3.1503 3.3559 3.3595 7.9088 8.4094 9.5008 9.8910 10.5023 10.7431 11.3305 11.3627 12.0877 12.2441 k = 0.2436-0.0881-0.0415 ( 4092 PWs) bands (ev): -16.2649 -16.2635 -15.0651 -15.0570 -14.4290 -14.4230 -13.9613 -13.9573 -13.7735 -13.7702 -13.4515 -13.4425 -5.4493 -5.4420 -4.7698 -4.7604 -3.2907 -3.2700 -2.7616 -2.7482 -2.3930 -2.3705 -1.3740 -1.2795 -0.5806 -0.5290 -0.0844 -0.0186 0.2947 0.3347 0.8961 0.9665 1.4324 1.5139 1.6917 1.7258 2.3387 2.3563 2.3969 2.4275 2.5473 2.5595 2.9135 2.9318 2.9886 3.0189 3.1374 3.1665 3.3626 3.3666 7.9017 8.4119 9.4829 9.8831 10.5170 10.7672 11.3604 11.3897 12.0791 12.2394 k = 0.2564-0.0927-0.0437 ( 4091 PWs) bands (ev): -16.2496 -16.2481 -15.0668 -15.0585 -14.4339 -14.4278 -13.9686 -13.9645 -13.7743 -13.7709 -13.4588 -13.4497 -5.4697 -5.4622 -4.7727 -4.7631 -3.2711 -3.2493 -2.7551 -2.7420 -2.3795 -2.3564 -1.3647 -1.2708 -0.5924 -0.5421 -0.0853 -0.0205 0.2896 0.3337 0.8689 0.9395 1.4271 1.5044 1.6878 1.7225 2.3454 2.3576 2.3952 2.4246 2.5375 2.5522 2.9263 2.9418 3.0064 3.0342 3.1493 3.1880 3.3701 3.3749 7.8965 8.4131 9.4670 9.8749 10.5320 10.7906 11.3895 11.4165 12.0705 12.2339 k = 0.2692-0.0974-0.0459 ( 4090 PWs) bands (ev): -16.2340 -16.2325 -15.0687 -15.0602 -14.4395 -14.4334 -13.9751 -13.9709 -13.7750 -13.7716 -13.4662 -13.4570 -5.4905 -5.4829 -4.7743 -4.7648 -3.2523 -3.2295 -2.7477 -2.7350 -2.3685 -2.3447 -1.3514 -1.2589 -0.6029 -0.5545 -0.0864 -0.0222 0.2838 0.3322 0.8423 0.9123 1.4225 1.4950 1.6801 1.7177 2.3512 2.3557 2.3927 2.4220 2.5286 2.5460 2.9337 2.9474 3.0263 3.0478 3.1662 3.2135 3.3787 3.3852 7.8932 8.4130 9.4531 9.8663 10.5473 10.8129 11.4176 11.4428 12.0619 12.2277 k = 0.2821-0.1020-0.0481 ( 4087 PWs) bands (ev): -16.2181 -16.2166 -15.0708 -15.0622 -14.4458 -14.4398 -13.9807 -13.9765 -13.7756 -13.7722 -13.4736 -13.4643 -5.5115 -5.5038 -4.7750 -4.7655 -3.2346 -3.2110 -2.7397 -2.7274 -2.3596 -2.3352 -1.3343 -1.2439 -0.6124 -0.5664 -0.0877 -0.0238 0.2773 0.3303 0.8164 0.8852 1.4182 1.4859 1.6689 1.7111 2.3483 2.3569 2.3894 2.4217 2.5211 2.5408 2.9381 2.9505 3.0443 3.0595 3.1880 3.2407 3.3886 3.3983 7.8920 8.4115 9.4413 9.8571 10.5626 10.8336 11.4448 11.4687 12.0534 12.2207 k = 0.2949-0.1067-0.0503 ( 4093 PWs) bands (ev): -16.2021 -16.2006 -15.0731 -15.0645 -14.4529 -14.4469 -13.9854 -13.9813 -13.7762 -13.7728 -13.4808 -13.4716 -5.5326 -5.5248 -4.7749 -4.7655 -3.2182 -3.1940 -2.7309 -2.7192 -2.3525 -2.3275 -1.3139 -1.2262 -0.6207 -0.5776 -0.0893 -0.0254 0.2703 0.3280 0.7916 0.8586 1.4139 1.4771 1.6546 1.7025 2.3388 2.3570 2.3872 2.4245 2.5151 2.5366 2.9408 2.9522 3.0589 3.0697 3.2135 3.2669 3.4006 3.4152 7.8927 8.4083 9.4317 9.8473 10.5779 10.8524 11.4708 11.4940 12.0452 12.2129 k = 0.3077-0.1113-0.0525 ( 4096 PWs) bands (ev): -16.1861 -16.1846 -15.0757 -15.0671 -14.4606 -14.4546 -13.9893 -13.9852 -13.7768 -13.7734 -13.4880 -13.4788 -5.5533 -5.5456 -4.7741 -4.7649 -3.2033 -3.1789 -2.7216 -2.7105 -2.3466 -2.3211 -1.2904 -1.2061 -0.6281 -0.5883 -0.0910 -0.0270 0.2630 0.3251 0.7679 0.8327 1.4094 1.4685 1.6378 1.6920 2.3271 2.3503 2.3893 2.4294 2.5103 2.5332 2.9426 2.9532 3.0704 3.0788 3.2402 3.2900 3.4153 3.4365 7.8955 8.4035 9.4244 9.8369 10.5931 10.8691 11.4958 11.5185 12.0374 12.2044 k = 0.3205-0.1159-0.0546 ( 4093 PWs) bands (ev): -16.1701 -16.1687 -15.0785 -15.0700 -14.4687 -14.4628 -13.9922 -13.9882 -13.7773 -13.7739 -13.4951 -13.4860 -5.5736 -5.5660 -4.7727 -4.7638 -3.1901 -3.1658 -2.7120 -2.7014 -2.3414 -2.3155 -1.2644 -1.1841 -0.6345 -0.5984 -0.0929 -0.0287 0.2553 0.3217 0.7455 0.8077 1.4043 1.4601 1.6190 1.6798 2.3142 2.3391 2.3946 2.4354 2.5066 2.5304 2.9439 2.9538 3.0795 3.0868 3.2658 3.3089 3.4335 3.4623 7.9003 8.3969 9.4195 9.8257 10.6080 10.8833 11.5196 11.5422 12.0300 12.1951 k = 0.3333-0.1206-0.0568 ( 4094 PWs) bands (ev): -16.1544 -16.1529 -15.0815 -15.0731 -14.4771 -14.4714 -13.9943 -13.9905 -13.7778 -13.7743 -13.5019 -13.4930 -5.5931 -5.5858 -4.7709 -4.7624 -3.1786 -3.1548 -2.7022 -2.6923 -2.3362 -2.3102 -1.2364 -1.1609 -0.6403 -0.6081 -0.0947 -0.0305 0.2476 0.3177 0.7245 0.7838 1.3983 1.4517 1.5991 1.6661 2.3009 2.3259 2.4012 2.4419 2.5036 2.5281 2.9448 2.9542 3.0871 3.0939 3.2885 3.3239 3.4556 3.4914 7.9071 8.3884 9.4171 9.8136 10.6228 10.8948 11.5422 11.5651 12.0231 12.1851 k = 0.3462-0.1252-0.0590 ( 4091 PWs) bands (ev): -16.1389 -16.1374 -15.0847 -15.0765 -14.4858 -14.4803 -13.9957 -13.9920 -13.7781 -13.7748 -13.5084 -13.4998 -5.6118 -5.6047 -4.7689 -4.7607 -3.1689 -3.1458 -2.6926 -2.6833 -2.3307 -2.3048 -1.2071 -1.1368 -0.6454 -0.6173 -0.0963 -0.0323 0.2398 0.3131 0.7051 0.7613 1.3910 1.4429 1.5791 1.6515 2.2878 2.3123 2.4081 2.4483 2.5013 2.5262 2.9456 2.9545 3.0936 3.1001 3.3074 3.3358 3.4814 3.5224 7.9158 8.3781 9.4171 9.8007 10.6375 10.9034 11.5635 11.5870 12.0168 12.1745 k = 0.3590-0.1298-0.0612 ( 4091 PWs) bands (ev): -16.1238 -16.1224 -15.0880 -15.0801 -14.4944 -14.4891 -13.9964 -13.9929 -13.7785 -13.7752 -13.5147 -13.5064 -5.6295 -5.6227 -4.7666 -4.7589 -3.1608 -3.1389 -2.6835 -2.6748 -2.3244 -2.2990 -1.1769 -1.1125 -0.6502 -0.6260 -0.0976 -0.0341 0.2321 0.3077 0.6874 0.7401 1.3824 1.4332 1.5601 1.6363 2.2752 2.2988 2.4149 2.4543 2.4995 2.5245 2.9464 2.9547 3.0993 3.1054 3.3228 3.3454 3.5099 3.5539 7.9264 8.3659 9.4197 9.7867 10.6519 10.9092 11.5836 11.6078 12.0111 12.1632 k = 0.3718-0.1345-0.0634 ( 4094 PWs) bands (ev): -16.1094 -16.1080 -15.0914 -15.0839 -14.5029 -14.4978 -13.9965 -13.9933 -13.7788 -13.7756 -13.5206 -13.5127 -5.6460 -5.6396 -4.7643 -4.7571 -3.1543 -3.1337 -2.6752 -2.6670 -2.3172 -2.2927 -1.1466 -1.0883 -0.6550 -0.6340 -0.0982 -0.0357 0.2245 0.3015 0.6715 0.7205 1.3725 1.4216 1.5434 1.6211 2.2634 2.2859 2.4214 2.4596 2.4984 2.5231 2.9472 2.9550 3.1044 3.1101 3.3352 3.3533 3.5399 3.5847 7.9388 8.3517 9.4247 9.7718 10.6663 10.9119 11.6024 11.6276 12.0060 12.1513 k = 0.3846-0.1391-0.0656 ( 4095 PWs) bands (ev): -16.0957 -16.0944 -15.0949 -15.0878 -14.5110 -14.5063 -13.9962 -13.9932 -13.7790 -13.7760 -13.5261 -13.5187 -5.6612 -5.6553 -4.7619 -4.7553 -3.1493 -3.1301 -2.6677 -2.6602 -2.3090 -2.2857 -1.1165 -1.0647 -0.6600 -0.6414 -0.0982 -0.0371 0.2171 0.2944 0.6575 0.7025 1.3615 1.4078 1.5300 1.6063 2.2527 2.2738 2.4275 2.4640 2.4980 2.5218 2.9480 2.9553 3.1088 3.1140 3.3453 3.3600 3.5700 3.6140 7.9529 8.3358 9.4321 9.7559 10.6806 10.9118 11.6200 11.6461 12.0017 12.1388 k = 0.3974-0.1438-0.0678 ( 4093 PWs) bands (ev): -16.0828 -16.0816 -15.0982 -15.0917 -14.5187 -14.5143 -13.9956 -13.9928 -13.7792 -13.7763 -13.5312 -13.5243 -5.6751 -5.6696 -4.7596 -4.7535 -3.1454 -3.1279 -2.6612 -2.6543 -2.2999 -2.2784 -1.0875 -1.0422 -0.6655 -0.6479 -0.0971 -0.0383 0.2102 0.2864 0.6455 0.6862 1.3496 1.3917 1.5203 1.5923 2.2432 2.2626 2.4331 2.4670 2.4986 2.5208 2.9488 2.9555 3.1127 3.1174 3.3537 3.3658 3.5994 3.6411 7.9687 8.3182 9.4418 9.7390 10.6950 10.9088 11.6365 11.6633 11.9982 12.1259 k = 0.4103-0.1484-0.0699 ( 4091 PWs) bands (ev): -16.0710 -16.0699 -15.1015 -15.0956 -14.5257 -14.5217 -13.9947 -13.9923 -13.7793 -13.7766 -13.5357 -13.5295 -5.6874 -5.6825 -4.7573 -4.7519 -3.1424 -3.1269 -2.6557 -2.6495 -2.2903 -2.2708 -1.0599 -1.0209 -0.6714 -0.6537 -0.0951 -0.0392 0.2039 0.2774 0.6354 0.6717 1.3374 1.3741 1.5140 1.5794 2.2350 2.2525 2.4382 2.4687 2.5000 2.5200 2.9497 2.9557 3.1160 3.1202 3.3607 3.3706 3.6272 3.6655 7.9861 8.2991 9.4536 9.7212 10.7096 10.9033 11.6518 11.6789 11.9958 12.1127 k = 0.4231-0.1530-0.0721 ( 4090 PWs) bands (ev): -16.0603 -16.0594 -15.1045 -15.0993 -14.5320 -14.5285 -13.9937 -13.9916 -13.7793 -13.7770 -13.5397 -13.5342 -5.6982 -5.6939 -4.7552 -4.7505 -3.1402 -3.1267 -2.6511 -2.6458 -2.2806 -2.2633 -1.0343 -1.0014 -0.6775 -0.6592 -0.0919 -0.0400 0.1985 0.2675 0.6273 0.6588 1.3253 1.3561 1.5105 1.5677 2.2280 2.2435 2.4427 2.4692 2.5021 2.5193 2.9506 2.9559 3.1188 3.1225 3.3667 3.3748 3.6527 3.6869 8.0048 8.2786 9.4674 9.7025 10.7243 10.8955 11.6660 11.6926 11.9945 12.0992 k = 0.4359-0.1577-0.0743 ( 4090 PWs) bands (ev): -16.0510 -16.0502 -15.1072 -15.1027 -14.5374 -14.5344 -13.9926 -13.9908 -13.7793 -13.7773 -13.5430 -13.5383 -5.7074 -5.7038 -4.7533 -4.7494 -3.1386 -3.1272 -2.6475 -2.6430 -2.2711 -2.2563 -1.0112 -0.9840 -0.6831 -0.6646 -0.0876 -0.0408 0.1944 0.2568 0.6211 0.6477 1.3140 1.3388 1.5092 1.5571 2.2224 2.2356 2.4467 2.4688 2.5046 2.5187 2.9514 2.9560 3.1212 3.1243 3.3717 3.3782 3.6755 3.7050 8.0249 8.2569 9.4829 9.6830 10.7392 10.8856 11.6790 11.7041 11.9947 12.0855 k = 0.4487-0.1623-0.0765 ( 4092 PWs) bands (ev): -16.0432 -16.0425 -15.1095 -15.1058 -14.5419 -14.5394 -13.9916 -13.9901 -13.7793 -13.7776 -13.5458 -13.5419 -5.7149 -5.7120 -4.7516 -4.7484 -3.1373 -3.1281 -2.6446 -2.6409 -2.2622 -2.2502 -0.9912 -0.9692 -0.6878 -0.6701 -0.0824 -0.0422 0.1919 0.2457 0.6168 0.6382 1.3040 1.3232 1.5094 1.5479 2.2181 2.2289 2.4502 2.4678 2.5071 2.5181 2.9523 2.9560 3.1231 3.1256 3.3758 3.3809 3.6953 3.7194 8.0461 8.2343 9.5000 9.6628 10.7544 10.8740 11.6907 11.7131 11.9966 12.0719 k = 0.4615-0.1669-0.0787 ( 4094 PWs) bands (ev): -16.0369 -16.0364 -15.1112 -15.1084 -14.5453 -14.5435 -13.9907 -13.9896 -13.7792 -13.7779 -13.5478 -13.5448 -5.7207 -5.7185 -4.7502 -4.7478 -3.1362 -3.1292 -2.6423 -2.6396 -2.2546 -2.2454 -0.9744 -0.9576 -0.6911 -0.6757 -0.0764 -0.0443 0.1916 0.2345 0.6142 0.6304 1.2960 1.3099 1.5109 1.5397 2.2151 2.2233 2.4533 2.4664 2.5094 2.5175 2.9531 2.9559 3.1247 3.1265 3.3791 3.3828 3.7117 3.7301 8.0682 8.2109 9.5184 9.6421 10.7698 10.8610 11.7010 11.7194 12.0003 12.0586 k = 0.4744-0.1716-0.0809 ( 4102 PWs) bands (ev): -16.0323 -16.0320 -15.1124 -15.1105 -14.5478 -14.5465 -13.9900 -13.9892 -13.7790 -13.7781 -13.5491 -13.5471 -5.7248 -5.7233 -4.7490 -4.7474 -3.1352 -3.1305 -2.6407 -2.6389 -2.2483 -2.2422 -0.9612 -0.9497 -0.6926 -0.6811 -0.0699 -0.0474 0.1936 0.2236 0.6132 0.6240 1.2904 1.2994 1.5135 1.5326 2.2133 2.2189 2.4561 2.4648 2.5115 2.5168 2.9538 2.9557 3.1258 3.1271 3.3816 3.3841 3.7245 3.7369 8.0912 8.1870 9.5378 9.6211 10.7854 10.8469 11.7097 11.7227 12.0060 12.0458 k = 0.4872-0.1762-0.0831 ( 4098 PWs) bands (ev): -16.0295 -16.0293 -15.1129 -15.1120 -14.5491 -14.5485 -13.9894 -13.9890 -13.7788 -13.7784 -13.5497 -13.5487 -5.7270 -5.7263 -4.7482 -4.7473 -3.1342 -3.1318 -2.6396 -2.6386 -2.2439 -2.2408 -0.9519 -0.9460 -0.6921 -0.6860 -0.0634 -0.0518 0.1981 0.2135 0.6137 0.6192 1.2878 1.2922 1.5170 1.5265 2.2129 2.2157 2.4586 2.4629 2.5133 2.5159 2.9545 2.9554 3.1267 3.1273 3.3834 3.3846 3.7335 3.7398 8.1148 8.1629 9.5580 9.5999 10.8011 10.8321 11.7165 11.7233 12.0136 12.0338 k = 0.5000-0.1809-0.0852 ( 4100 PWs) bands (ev): -16.0285 -16.0285 -15.1128 -15.1128 -14.5494 -14.5494 -13.9891 -13.9891 -13.7786 -13.7786 -13.5496 -13.5496 -5.7275 -5.7275 -4.7476 -4.7476 -3.1330 -3.1330 -2.6389 -2.6389 -2.2413 -2.2413 -0.9468 -0.9468 -0.6898 -0.6898 -0.0572 -0.0572 0.2049 0.2049 0.6157 0.6157 1.2883 1.2883 1.5213 1.5213 2.2137 2.2137 2.4609 2.4609 2.5148 2.5148 2.9550 2.9550 3.1271 3.1271 3.3844 3.3844 3.7386 3.7386 8.1387 8.1387 9.5788 9.5788 10.8167 10.8167 11.7211 11.7211 12.0230 12.0230 k = 0.5000-0.1809 0.2616 ( 4068 PWs) bands (ev): -15.9840 -15.9840 -15.0905 -15.0905 -14.7522 -14.7522 -13.9622 -13.9622 -13.7336 -13.7336 -13.4715 -13.4715 -5.9582 -5.9582 -4.3330 -4.3330 -2.8430 -2.8430 -2.7734 -2.7734 -2.4796 -2.4796 -1.2950 -1.2950 -0.6485 -0.6485 0.0153 0.0153 0.2157 0.2157 0.4644 0.4644 1.1575 1.1575 1.9133 1.9133 2.1764 2.1764 2.3234 2.3234 2.6635 2.6635 3.0648 3.0648 3.1822 3.1822 3.3650 3.3650 3.5921 3.5921 8.2049 8.2049 9.6630 9.6630 11.0208 11.0208 11.5983 11.5983 11.8534 11.8534 k = 0.4884-0.1767 0.2555 ( 4071 PWs) bands (ev): -15.9849 -15.9846 -15.0920 -15.0910 -14.7506 -14.7493 -13.9626 -13.9622 -13.7338 -13.7336 -13.4716 -13.4713 -5.9576 -5.9567 -4.3342 -4.3336 -2.8481 -2.8423 -2.7764 -2.7702 -2.4795 -2.4755 -1.2974 -1.2932 -0.6532 -0.6434 -0.0034 0.0217 0.2094 0.2312 0.4631 0.4686 1.1556 1.1616 1.9125 1.9147 2.1748 2.1788 2.3221 2.3239 2.6635 2.6654 3.0625 3.0655 3.1807 3.1817 3.3645 3.3653 3.5886 3.5945 8.1903 8.2185 9.6550 9.6702 11.0137 11.0260 11.5969 11.5994 11.8530 11.8558 k = 0.4767-0.1724 0.2494 ( 4070 PWs) bands (ev): -15.9872 -15.9867 -15.0955 -15.0936 -14.7449 -14.7424 -13.9633 -13.9625 -13.7342 -13.7337 -13.4717 -13.4711 -5.9550 -5.9532 -4.3371 -4.3360 -2.8571 -2.8463 -2.7787 -2.7675 -2.4750 -2.4674 -1.3005 -1.2920 -0.6575 -0.6381 -0.0302 0.0144 0.2132 0.2522 0.4647 0.4758 1.1560 1.1679 1.9123 1.9167 2.1740 2.1820 2.3200 2.3236 2.6654 2.6690 3.0585 3.0644 3.1772 3.1791 3.3639 3.3655 3.5841 3.5957 8.1748 8.2309 9.6463 9.6766 11.0046 11.0293 11.5950 11.6001 11.8544 11.8599 k = 0.4651-0.1682 0.2434 ( 4072 PWs) bands (ev): -15.9910 -15.9902 -15.1006 -15.0979 -14.7352 -14.7316 -13.9643 -13.9631 -13.7347 -13.7340 -13.4718 -13.4709 -5.9503 -5.9477 -4.3418 -4.3401 -2.8692 -2.8546 -2.7802 -2.7656 -2.4666 -2.4560 -1.3044 -1.2914 -0.6614 -0.6323 -0.0615 -0.0034 0.2236 0.2752 0.4693 0.4859 1.1586 1.1765 1.9129 1.9193 2.1740 2.1859 2.3172 2.3227 2.6689 2.6742 3.0530 3.0617 3.1718 3.1746 3.3631 3.3654 3.5786 3.5957 8.1586 8.2421 9.6369 9.6823 10.9936 11.0307 11.5929 11.6002 11.8576 11.8657 k = 0.4535-0.1640 0.2373 ( 4071 PWs) bands (ev): -15.9962 -15.9952 -15.1069 -15.1035 -14.7219 -14.7174 -13.9656 -13.9641 -13.7354 -13.7344 -13.4718 -13.4706 -5.9436 -5.9401 -4.3481 -4.3459 -2.8838 -2.8664 -2.7811 -2.7645 -2.4548 -2.4421 -1.3091 -1.2913 -0.6647 -0.6260 -0.0949 -0.0274 0.2361 0.2979 0.4770 0.4989 1.1635 1.1873 1.9143 1.9225 2.1746 2.1904 2.3138 2.3213 2.6740 2.6807 3.0460 3.0574 3.1645 3.1679 3.3623 3.3651 3.5723 3.5945 8.1417 8.2521 9.6271 9.6873 10.9808 11.0302 11.5904 11.5998 11.8626 11.8730 k = 0.4419-0.1598 0.2312 ( 4074 PWs) bands (ev): -16.0027 -16.0015 -15.1140 -15.1101 -14.7056 -14.7004 -13.9673 -13.9654 -13.7362 -13.7350 -13.4717 -13.4702 -5.9349 -5.9306 -4.3561 -4.3535 -2.9003 -2.8810 -2.7817 -2.7641 -2.4403 -2.4263 -1.3148 -1.2918 -0.6671 -0.6190 -0.1289 -0.0542 0.2476 0.3184 0.4879 0.5143 1.1708 1.2003 1.9166 1.9263 2.1756 2.1952 2.3101 2.3196 2.6804 2.6882 3.0378 3.0517 3.1553 3.1592 3.3613 3.3646 3.5652 3.5921 8.1243 8.2607 9.6169 9.6917 10.9661 11.0278 11.5876 11.5987 11.8692 11.8816 k = 0.4302-0.1556 0.2251 ( 4076 PWs) bands (ev): -16.0106 -16.0092 -15.1215 -15.1172 -14.6868 -14.6810 -13.9693 -13.9670 -13.7372 -13.7358 -13.4715 -13.4697 -5.9243 -5.9191 -4.3656 -4.3626 -2.9182 -2.8975 -2.7824 -2.7643 -2.4240 -2.4092 -1.3214 -1.2930 -0.6685 -0.6112 -0.1625 -0.0818 0.2569 0.3359 0.5017 0.5315 1.1806 1.2155 1.9198 1.9309 2.1768 2.2001 2.3064 2.3181 2.6876 2.6963 3.0285 3.0447 3.1443 3.1485 3.3603 3.3639 3.5574 3.5885 8.1065 8.2678 9.6066 9.6956 10.9498 11.0237 11.5844 11.5970 11.8771 11.8914 k = 0.4186-0.1514 0.2190 ( 4080 PWs) bands (ev): -16.0197 -16.0180 -15.1290 -15.1244 -14.6660 -14.6598 -13.9716 -13.9690 -13.7383 -13.7368 -13.4711 -13.4690 -5.9117 -5.9058 -4.3766 -4.3732 -2.9372 -2.9155 -2.7832 -2.7650 -2.4065 -2.3916 -1.3291 -1.2948 -0.6686 -0.6022 -0.1949 -0.1092 0.2638 0.3500 0.5177 0.5498 1.1929 1.2327 1.9240 1.9362 2.1779 2.2047 2.3030 2.3170 2.6952 2.7047 3.0183 3.0367 3.1316 3.1360 3.3592 3.3630 3.5491 3.5837 8.0884 8.2736 9.5963 9.6992 10.9318 11.0177 11.5807 11.5945 11.8863 11.9021 k = 0.4070-0.1472 0.2129 ( 4078 PWs) bands (ev): -16.0300 -16.0281 -15.1362 -15.1315 -14.6434 -14.6370 -13.9742 -13.9712 -13.7396 -13.7380 -13.4705 -13.4682 -5.8973 -5.8906 -4.3889 -4.3852 -2.9569 -2.9346 -2.7843 -2.7660 -2.3886 -2.3739 -1.3378 -1.2972 -0.6672 -0.5920 -0.2256 -0.1354 0.2684 0.3608 0.5351 0.5686 1.2078 1.2519 1.9290 1.9422 2.1788 2.2086 2.3003 2.3166 2.7028 2.7128 3.0076 3.0279 3.1175 3.1219 3.3578 3.3618 3.5404 3.5779 8.0703 8.2779 9.5863 9.7027 10.9124 11.0100 11.5764 11.5911 11.8966 11.9135 k = 0.3953-0.1430 0.2069 ( 4079 PWs) bands (ev): -16.0413 -16.0392 -15.1430 -15.1382 -14.6197 -14.6131 -13.9770 -13.9738 -13.7411 -13.7394 -13.4697 -13.4672 -5.8811 -5.8736 -4.4024 -4.3986 -2.9770 -2.9546 -2.7857 -2.7673 -2.3709 -2.3566 -1.3474 -1.3004 -0.6641 -0.5804 -0.2541 -0.1600 0.2710 0.3690 0.5527 0.5872 1.2250 1.2727 1.9347 1.9491 2.1791 2.2113 2.2989 2.3172 2.7098 2.7201 2.9966 3.0186 3.1020 3.1067 3.3561 3.3602 3.5313 3.5709 8.0522 8.2810 9.5767 9.7062 10.8916 11.0006 11.5714 11.5869 11.9077 11.9254 k = 0.3837-0.1388 0.2008 ( 4075 PWs) bands (ev): -16.0536 -16.0513 -15.1491 -15.1443 -14.5950 -14.5883 -13.9802 -13.9767 -13.7428 -13.7410 -13.4686 -13.4659 -5.8631 -5.8550 -4.4170 -4.4131 -2.9976 -2.9751 -2.7873 -2.7688 -2.3538 -2.3402 -1.3577 -1.3042 -0.6590 -0.5672 -0.2802 -0.1827 0.2720 0.3749 0.5697 0.6053 1.2445 1.2948 1.9409 1.9567 2.1788 2.2124 2.2993 2.3190 2.7156 2.7262 2.9856 3.0091 3.0855 3.0909 3.3539 3.3582 3.5220 3.5631 8.0344 8.2828 9.5678 9.7098 10.8697 10.9896 11.5655 11.5815 11.9194 11.9377 k = 0.3721-0.1346 0.1947 ( 4075 PWs) bands (ev): -16.0668 -16.0644 -15.1546 -15.1496 -14.5697 -14.5631 -13.9835 -13.9798 -13.7446 -13.7427 -13.4673 -13.4643 -5.8434 -5.8347 -4.4326 -4.4286 -3.0183 -2.9961 -2.7892 -2.7705 -2.3378 -2.3250 -1.3686 -1.3086 -0.6519 -0.5526 -0.3035 -0.2030 0.2717 0.3790 0.5856 0.6228 1.2659 1.3179 1.9473 1.9649 2.1776 2.2118 2.3018 2.3221 2.7197 2.7305 2.9749 2.9998 3.0683 3.0751 3.3509 3.3556 3.5126 3.5543 8.0169 8.2835 9.5596 9.7136 10.8468 10.9768 11.5587 11.5751 11.9317 11.9502 k = 0.3605-0.1304 0.1886 ( 4075 PWs) bands (ev): -16.0807 -16.0781 -15.1592 -15.1542 -14.5441 -14.5376 -13.9870 -13.9831 -13.7466 -13.7447 -13.4656 -13.4624 -5.8222 -5.8130 -4.4490 -4.4450 -3.0393 -3.0175 -2.7913 -2.7724 -2.3234 -2.3114 -1.3798 -1.3135 -0.6427 -0.5367 -0.3235 -0.2209 0.2704 0.3818 0.6001 0.6396 1.2889 1.3415 1.9534 1.9735 2.1755 2.2096 2.3063 2.3267 2.7214 2.7323 2.9648 2.9911 3.0508 3.0598 3.3468 3.3524 3.5033 3.5447 8.0000 8.2833 9.5524 9.7178 10.8231 10.9625 11.5506 11.5674 11.9444 11.9629 k = 0.3488-0.1262 0.1825 ( 4074 PWs) bands (ev): -16.0953 -16.0926 -15.1630 -15.1579 -14.5184 -14.5122 -13.9906 -13.9866 -13.7487 -13.7468 -13.4636 -13.4603 -5.7996 -5.7898 -4.4660 -4.4622 -3.0604 -3.0391 -2.7937 -2.7744 -2.3109 -2.2998 -1.3908 -1.3188 -0.6314 -0.5201 -0.3396 -0.2360 0.2684 0.3833 0.6131 0.6556 1.3130 1.3651 1.9588 1.9822 2.1727 2.2062 2.3126 2.3328 2.7203 2.7312 2.9555 2.9831 3.0339 3.0458 3.3413 3.3483 3.4942 3.5345 7.9839 8.2824 9.5463 9.7223 10.7987 10.9468 11.5413 11.5582 11.9574 11.9757 k = 0.3372-0.1220 0.1764 ( 4073 PWs) bands (ev): -16.1104 -16.1076 -15.1659 -15.1608 -14.4930 -14.4871 -13.9942 -13.9901 -13.7509 -13.7490 -13.4612 -13.4578 -5.7756 -5.7654 -4.4835 -4.4798 -3.0817 -3.0609 -2.7963 -2.7765 -2.3006 -2.2904 -1.4014 -1.3241 -0.6183 -0.5037 -0.3510 -0.2483 0.2659 0.3837 0.6249 0.6710 1.3378 1.3884 1.9630 1.9905 2.1692 2.2023 2.3205 2.3404 2.7162 2.7269 2.9469 2.9759 3.0183 3.0337 3.3342 3.3432 3.4855 3.5238 7.9687 8.2809 9.5415 9.7273 10.7738 10.9296 11.5306 11.5477 11.9705 11.9886 k = 0.3256-0.1178 0.1704 ( 4072 PWs) bands (ev): -16.1260 -16.1231 -15.1679 -15.1627 -14.4681 -14.4626 -13.9976 -13.9935 -13.7532 -13.7513 -13.4586 -13.4549 -5.7503 -5.7398 -4.5014 -4.4979 -3.1030 -3.0828 -2.7991 -2.7788 -2.2930 -2.2836 -1.4111 -1.3292 -0.6035 -0.4890 -0.3562 -0.2576 0.2630 0.3833 0.6358 0.6859 1.3627 1.4109 1.9655 1.9974 2.1654 2.1984 2.3296 2.3493 2.7089 2.7194 2.9388 2.9689 3.0053 3.0239 3.3251 3.3367 3.4772 3.5127 7.9546 8.2790 9.5379 9.7328 10.7487 10.9111 11.5183 11.5356 11.9836 12.0015 k = 0.3140-0.1136 0.1643 ( 4071 PWs) bands (ev): -16.1419 -16.1389 -15.1691 -15.1638 -14.4440 -14.4390 -14.0007 -13.9968 -13.7555 -13.7537 -13.4556 -13.4518 -5.7241 -5.7132 -4.5194 -4.5161 -3.1245 -3.1048 -2.8021 -2.7812 -2.2882 -2.2795 -1.4196 -1.3340 -0.5875 -0.4779 -0.3536 -0.2635 0.2600 0.3821 0.6460 0.7006 1.3873 1.4322 1.9659 2.0023 2.1618 2.1949 2.3399 2.3595 2.6989 2.7090 2.9312 2.9609 2.9963 3.0167 3.3138 3.3286 3.4695 3.5015 7.9418 8.2771 9.5359 9.7387 10.7235 10.8914 11.5046 11.5219 11.9967 12.0146 k = 0.3023-0.1094 0.1582 ( 4071 PWs) bands (ev): -16.1580 -16.1550 -15.1694 -15.1640 -14.4211 -14.4167 -14.0033 -13.9996 -13.7578 -13.7560 -13.4522 -13.4484 -5.6969 -5.6857 -4.5374 -4.5343 -3.1461 -3.1269 -2.8052 -2.7836 -2.2864 -2.2782 -1.4264 -1.3381 -0.5708 -0.4714 -0.3426 -0.2659 0.2569 0.3802 0.6560 0.7152 1.4112 1.4519 1.9637 2.0042 2.1588 2.1922 2.3510 2.3707 2.6866 2.6965 2.9237 2.9514 2.9919 3.0121 3.3004 3.3185 3.4623 3.4903 7.9305 8.2753 9.5353 9.7451 10.6983 10.8707 11.4893 11.5066 12.0097 12.0277 k = 0.2907-0.1052 0.1521 ( 4079 PWs) bands (ev): -16.1743 -16.1712 -15.1689 -15.1634 -14.3997 -14.3959 -14.0051 -14.0017 -13.7601 -13.7584 -13.4486 -13.4447 -5.6689 -5.6576 -4.5551 -4.5523 -3.1677 -3.1490 -2.8085 -2.7862 -2.2879 -2.2799 -1.4315 -1.3412 -0.5539 -0.4686 -0.3242 -0.2644 0.2540 0.3776 0.6662 0.7300 1.4340 1.4697 1.9587 2.0023 2.1571 2.1902 2.3629 2.3827 2.6729 2.6826 2.9166 2.9412 2.9908 3.0099 3.2848 3.3062 3.4556 3.4794 7.9209 8.2737 9.5364 9.7519 10.6734 10.8492 11.4725 11.4896 12.0224 12.0410 k = 0.2791-0.1009 0.1460 ( 4081 PWs) bands (ev): -16.1906 -16.1874 -15.1676 -15.1620 -14.3802 -14.3770 -14.0059 -14.0029 -13.7623 -13.7607 -13.4447 -13.4407 -5.6405 -5.6291 -4.5724 -4.5699 -3.1894 -3.1711 -2.8120 -2.7888 -2.2927 -2.2845 -1.4345 -1.3432 -0.5374 -0.4679 -0.3009 -0.2588 0.2514 0.3745 0.6768 0.7453 1.4552 1.4852 1.9506 1.9962 2.1569 2.1891 2.3752 2.3951 2.6586 2.6683 2.9099 2.9313 2.9918 3.0097 3.2670 3.2916 3.4492 3.4688 7.9132 8.2726 9.5390 9.7592 10.6489 10.8269 11.4542 11.4711 12.0347 12.0544 k = 0.2674-0.0967 0.1399 ( 4081 PWs) bands (ev): -16.2067 -16.2036 -15.1656 -15.1599 -14.3631 -14.3603 -14.0053 -14.0030 -13.7645 -13.7628 -13.4406 -13.4365 -5.6117 -5.6002 -4.5890 -4.5868 -3.2111 -3.1932 -2.8155 -2.7914 -2.3008 -2.2920 -1.4353 -1.3440 -0.5218 -0.4676 -0.2750 -0.2487 0.2491 0.3710 0.6883 0.7613 1.4747 1.4984 1.9396 1.9857 2.1583 2.1888 2.3874 2.4075 2.6448 2.6547 2.9039 2.9222 2.9937 3.0108 3.2474 3.2745 3.4430 3.4586 7.9074 8.2720 9.5434 9.7669 10.6249 10.8041 11.4344 11.4510 12.0466 12.0678 k = 0.2558-0.0925 0.1339 ( 4074 PWs) bands (ev): -16.2228 -16.2197 -15.1629 -15.1571 -14.3487 -14.3460 -14.0032 -14.0014 -13.7665 -13.7649 -13.4363 -13.4321 -5.5828 -5.5714 -4.6047 -4.6028 -3.2328 -3.2151 -2.8191 -2.7940 -2.3121 -2.3023 -1.4339 -1.3433 -0.5076 -0.4666 -0.2492 -0.2328 0.2474 0.3672 0.7008 0.7783 1.4921 1.5089 1.9258 1.9713 2.1611 2.1893 2.3990 2.4191 2.6323 2.6426 2.8987 2.9143 2.9959 3.0130 3.2261 3.2551 3.4369 3.4489 7.9036 8.2720 9.5495 9.7751 10.6016 10.7811 11.4132 11.4295 12.0581 12.0813 k = 0.2442-0.0883 0.1278 ( 4077 PWs) bands (ev): -16.2386 -16.2355 -15.1595 -15.1536 -14.3375 -14.3344 -13.9993 -13.9981 -13.7683 -13.7668 -13.4318 -13.4276 -5.5542 -5.5428 -4.6193 -4.6177 -3.2543 -3.2368 -2.8228 -2.7967 -2.3265 -2.3153 -1.4304 -1.3413 -0.4951 -0.4642 -0.2268 -0.2095 0.2462 0.3631 0.7147 0.7967 1.5072 1.5167 1.9094 1.9534 2.1650 2.1906 2.4093 2.4292 2.6221 2.6329 2.8942 2.9074 2.9977 3.0156 3.2037 3.2336 3.4307 3.4395 7.9021 8.2727 9.5573 9.7836 10.5791 10.7581 11.3906 11.4067 12.0690 12.0948 k = 0.2326-0.0841 0.1217 ( 4082 PWs) bands (ev): -16.2541 -16.2511 -15.1555 -15.1495 -14.3294 -14.3256 -13.9937 -13.9928 -13.7700 -13.7686 -13.4272 -13.4230 -5.5260 -5.5148 -4.6326 -4.6311 -3.2756 -3.2583 -2.8265 -2.7992 -2.3436 -2.3309 -1.4248 -1.3378 -0.4846 -0.4600 -0.2056 -0.1823 0.2457 0.3588 0.7301 0.8166 1.5192 1.5225 1.8910 1.9328 2.1696 2.1926 2.4176 2.4369 2.6150 2.6264 2.8903 2.9017 2.9985 3.0183 3.1806 3.2103 3.4242 3.4304 7.9027 8.2740 9.5668 9.7925 10.5575 10.7353 11.3666 11.3828 12.0795 12.1080 k = 0.2209-0.0799 0.1156 ( 4083 PWs) bands (ev): -16.2692 -16.2662 -15.1510 -15.1448 -14.3245 -14.3198 -13.9865 -13.9853 -13.7715 -13.7701 -13.4225 -13.4183 -5.4986 -5.4876 -4.6442 -4.6429 -3.2966 -3.2796 -2.8302 -2.8018 -2.3632 -2.3488 -1.4174 -1.3330 -0.4757 -0.4539 -0.1835 -0.1547 0.2458 0.3545 0.7472 0.8385 1.5229 1.5311 1.8710 1.9100 2.1749 2.1953 2.4232 2.4416 2.6114 2.6235 2.8869 2.8969 2.9976 3.0203 3.1579 3.1860 3.4175 3.4216 7.9055 8.2760 9.5780 9.8018 10.5369 10.7131 11.3411 11.3581 12.0894 12.1209 k = 0.2093-0.0757 0.1095 ( 4081 PWs) bands (ev): -16.2839 -16.2810 -15.1459 -15.1397 -14.3225 -14.3169 -13.9777 -13.9760 -13.7728 -13.7714 -13.4177 -13.4136 -5.4722 -5.4615 -4.6540 -4.6527 -3.3173 -3.3004 -2.8338 -2.8042 -2.3850 -2.3687 -1.4083 -1.3270 -0.4679 -0.4461 -0.1604 -0.1282 0.2467 0.3502 0.7661 0.8624 1.5223 1.5388 1.8499 1.8858 2.1807 2.1988 2.4258 2.4430 2.6115 2.6240 2.8835 2.8930 2.9942 3.0210 3.1369 3.1616 3.4104 3.4131 7.9106 8.2785 9.5910 9.8115 10.5172 10.6917 11.3142 11.3326 12.0987 12.1334 k = 0.1977-0.0715 0.1034 ( 4082 PWs) bands (ev): -16.2981 -16.2953 -15.1405 -15.1342 -14.3231 -14.3168 -13.9674 -13.9653 -13.7738 -13.7725 -13.4129 -13.4088 -5.4473 -5.4369 -4.6617 -4.6604 -3.3375 -3.3209 -2.8374 -2.8065 -2.4086 -2.3905 -1.3977 -1.3198 -0.4602 -0.4373 -0.1369 -0.1034 0.2483 0.3460 0.7868 0.8885 1.5188 1.5442 1.8284 1.8610 2.1870 2.2030 2.4256 2.4413 2.6144 2.6275 2.8795 2.8895 2.9872 3.0189 3.1194 3.1388 3.4028 3.4050 7.9179 8.2814 9.6055 9.8215 10.4987 10.6714 11.2859 11.3066 12.1075 12.1454 k = 0.1860-0.0673 0.0973 ( 4083 PWs) bands (ev): -16.3117 -16.3090 -15.1346 -15.1283 -14.3259 -14.3190 -13.9559 -13.9535 -13.7746 -13.7732 -13.4081 -13.4042 -5.4240 -5.4140 -4.6671 -4.6658 -3.3571 -3.3408 -2.8409 -2.8085 -2.4338 -2.4138 -1.3860 -1.3117 -0.4521 -0.4281 -0.1138 -0.0807 0.2505 0.3419 0.8092 0.9170 1.5128 1.5471 1.8072 1.8362 2.1936 2.2079 2.4230 2.4371 2.6193 2.6330 2.8741 2.8859 2.9762 3.0123 3.1068 3.1202 3.3947 3.3973 7.9272 8.2845 9.6215 9.8319 10.4812 10.6525 11.2562 11.2803 12.1157 12.1567 k = 0.1744-0.0631 0.0913 ( 4084 PWs) bands (ev): -16.3248 -16.3221 -15.1284 -15.1221 -14.3305 -14.3232 -13.9437 -13.9412 -13.7751 -13.7737 -13.4034 -13.3996 -5.4027 -5.3932 -4.6701 -4.6686 -3.3761 -3.3602 -2.8442 -2.8104 -2.4603 -2.4383 -1.3732 -1.3029 -0.4433 -0.4184 -0.0915 -0.0604 0.2532 0.3381 0.8331 0.9477 1.5044 1.5477 1.7870 1.8125 2.2005 2.2134 2.4185 2.4311 2.6246 2.6393 2.8660 2.8811 2.9621 3.0001 3.0998 3.1080 3.3865 3.3897 7.9385 8.2877 9.6390 9.8427 10.4647 10.6354 11.2254 11.2536 12.1234 12.1672 k = 0.1628-0.0589 0.0852 ( 4084 PWs) bands (ev): -16.3371 -16.3346 -15.1220 -15.1158 -14.3366 -14.3290 -13.9312 -13.9286 -13.7753 -13.7739 -13.3989 -13.3951 -5.3836 -5.3745 -4.6705 -4.6689 -3.3944 -3.3789 -2.8473 -2.8120 -2.4876 -2.4637 -1.3598 -1.2934 -0.4337 -0.4086 -0.0706 -0.0426 0.2562 0.3344 0.8584 0.9804 1.4941 1.5460 1.7685 1.7905 2.2077 2.2194 2.4127 2.4239 2.6291 2.6453 2.8540 2.8739 2.9478 2.9838 3.0975 3.1024 3.3784 3.3821 7.9517 8.2907 9.6577 9.8537 10.4494 10.6201 11.1937 11.2266 12.1305 12.1769 k = 0.1512-0.0547 0.0791 ( 4082 PWs) bands (ev): -16.3488 -16.3464 -15.1154 -15.1093 -14.3437 -14.3361 -13.9187 -13.9161 -13.7751 -13.7736 -13.3944 -13.3908 -5.3668 -5.3583 -4.6683 -4.6667 -3.4118 -3.3968 -2.8501 -2.8132 -2.5157 -2.4897 -1.3458 -1.2836 -0.4234 -0.3985 -0.0516 -0.0271 0.2593 0.3309 0.8845 1.0147 1.4820 1.5424 1.7526 1.7712 2.2149 2.2258 2.4057 2.4159 2.6312 2.6495 2.8378 2.8622 2.9361 2.9675 3.0986 3.1017 3.3705 3.3745 7.9665 8.2933 9.6775 9.8650 10.4353 10.6069 11.1612 11.1995 12.1371 12.1856 k = 0.1395-0.0505 0.0730 ( 4074 PWs) bands (ev): -16.3597 -16.3575 -15.1087 -15.1027 -14.3516 -14.3440 -13.9065 -13.9040 -13.7745 -13.7730 -13.3901 -13.3867 -5.3523 -5.3444 -4.6637 -4.6621 -3.4283 -3.4139 -2.8526 -2.8141 -2.5440 -2.5160 -1.3315 -1.2736 -0.4125 -0.3884 -0.0348 -0.0136 0.2623 0.3275 0.9111 1.0499 1.4686 1.5374 1.7398 1.7553 2.2222 2.2324 2.3980 2.4073 2.6290 2.6505 2.8192 2.8455 2.9281 2.9546 3.1020 3.1042 3.3628 3.3671 7.9829 8.2952 9.6982 9.8765 10.4225 10.5959 11.1282 11.1722 12.1433 12.1933 k = 0.1279-0.0463 0.0669 ( 4073 PWs) bands (ev): -16.3699 -16.3679 -15.1020 -15.0962 -14.3599 -14.3524 -13.8949 -13.8927 -13.7736 -13.7720 -13.3860 -13.3829 -5.3402 -5.3329 -4.6569 -4.6553 -3.4438 -3.4301 -2.8547 -2.8145 -2.5725 -2.5422 -1.3172 -1.2636 -0.4010 -0.3782 -0.0206 -0.0016 0.2652 0.3241 0.9376 1.0849 1.4545 1.5314 1.7307 1.7434 2.2294 2.2390 2.3893 2.3983 2.6206 2.6463 2.8015 2.8257 2.9234 2.9457 3.1068 3.1086 3.3554 3.3598 8.0005 8.2964 9.7195 9.8879 10.4112 10.5869 11.0951 11.1450 12.1491 12.1999 k = 0.1163-0.0421 0.0608 ( 4073 PWs) bands (ev): -16.3793 -16.3774 -15.0953 -15.0898 -14.3684 -14.3612 -13.8843 -13.8823 -13.7722 -13.7705 -13.3822 -13.3793 -5.3303 -5.3236 -4.6482 -4.6466 -3.4583 -3.4454 -2.8563 -2.8143 -2.6006 -2.5681 -1.3030 -1.2539 -0.3893 -0.3681 -0.0090 0.0090 0.2678 0.3207 0.9633 1.1185 1.4406 1.5252 1.7257 1.7363 2.2363 2.2455 2.3796 2.3889 2.6046 2.6348 2.7878 2.8071 2.9209 2.9398 3.1125 3.1142 3.3483 3.3528 8.0192 8.2965 9.7411 9.8990 10.4018 10.5796 11.0623 11.1179 12.1545 12.2052 k = 0.1047-0.0379 0.0548 ( 4077 PWs) bands (ev): -16.3879 -16.3861 -15.0889 -15.0837 -14.3768 -14.3700 -13.8747 -13.8730 -13.7704 -13.7687 -13.3786 -13.3759 -5.3225 -5.3164 -4.6381 -4.6366 -3.4715 -3.4595 -2.8572 -2.8136 -2.6283 -2.5935 -1.2892 -1.2446 -0.3775 -0.3582 0.0000 0.0184 0.2700 0.3171 0.9876 1.1487 1.4282 1.5194 1.7252 1.7344 2.2428 2.2518 2.3686 2.3791 2.5813 2.6147 2.7792 2.7930 2.9196 2.9359 3.1189 3.1204 3.3418 3.3461 8.0388 8.2953 9.7628 9.9096 10.3947 10.5738 11.0303 11.0910 12.1596 12.2095 k = 0.0930-0.0336 0.0487 ( 4077 PWs) bands (ev): -16.3956 -16.3940 -15.0827 -15.0779 -14.3849 -14.3785 -13.8663 -13.8650 -13.7681 -13.7665 -13.3753 -13.3729 -5.3164 -5.3110 -4.6270 -4.6257 -3.4836 -3.4726 -2.8574 -2.8122 -2.6551 -2.6180 -1.2759 -1.2359 -0.3658 -0.3487 0.0071 0.0266 0.2720 0.3134 1.0102 1.1733 1.4190 1.5142 1.7295 1.7382 2.2488 2.2575 2.3559 2.3684 2.5532 2.5870 2.7748 2.7843 2.9190 2.9330 3.1255 3.1269 3.3357 3.3398 8.0590 8.2928 9.7843 9.9193 10.3903 10.5688 10.9998 11.0646 12.1646 12.2125 k = 0.0814-0.0294 0.0426 ( 4077 PWs) bands (ev): -16.4024 -16.4010 -15.0769 -15.0725 -14.3925 -14.3867 -13.8592 -13.8581 -13.7656 -13.7640 -13.3723 -13.3702 -5.3118 -5.3071 -4.6155 -4.6143 -3.4943 -3.4844 -2.8568 -2.8100 -2.6809 -2.6414 -1.2634 -1.2281 -0.3545 -0.3397 0.0129 0.0332 0.2736 0.3094 1.0306 1.1900 1.4148 1.5096 1.7390 1.7478 2.2539 2.2624 2.3411 2.3565 2.5233 2.5547 2.7733 2.7799 2.9188 2.9307 3.1320 3.1333 3.3301 3.3339 8.0795 8.2887 9.8052 9.9277 10.3891 10.5640 10.9715 11.0389 12.1694 12.2143 k = 0.0698-0.0252 0.0365 ( 4079 PWs) bands (ev): -16.4083 -16.4072 -15.0715 -15.0676 -14.3994 -14.3942 -13.8533 -13.8525 -13.7629 -13.7613 -13.3697 -13.3678 -5.3084 -5.3044 -4.6042 -4.6032 -3.5036 -3.4949 -2.8552 -2.8070 -2.7052 -2.6636 -1.2517 -1.2213 -0.3439 -0.3315 0.0177 0.0382 0.2751 0.3054 1.0490 1.1975 1.4165 1.5054 1.7537 1.7629 2.2574 2.2659 2.3240 2.3427 2.4948 2.5214 2.7734 2.7782 2.9189 2.9289 3.1383 3.1395 3.3252 3.3286 8.1002 8.2831 9.8254 9.9341 10.3915 10.5584 10.9463 11.0141 12.1741 12.2150 k = 0.0581-0.0210 0.0304 ( 4076 PWs) bands (ev): -16.4134 -16.4124 -15.0667 -15.0633 -14.4055 -14.4010 -13.8486 -13.8480 -13.7601 -13.7587 -13.3674 -13.3658 -5.3060 -5.3026 -4.5935 -4.5927 -3.5115 -3.5041 -2.8524 -2.8031 -2.7280 -2.6843 -1.2412 -1.2156 -0.3342 -0.3242 0.0219 0.0416 0.2764 0.3013 1.0655 1.1965 1.4232 1.5011 1.7731 1.7829 2.2573 2.2665 2.3069 2.3268 2.4701 2.4905 2.7743 2.7780 2.9192 2.9273 3.1440 3.1452 3.3209 3.3239 8.1208 8.2757 9.8446 9.9383 10.3978 10.5511 10.9254 10.9904 12.1788 12.2147 k = 0.0465-0.0168 0.0243 ( 4081 PWs) bands (ev): -16.4175 -16.4167 -15.0626 -15.0598 -14.4105 -14.4069 -13.8450 -13.8446 -13.7575 -13.7564 -13.3654 -13.3642 -5.3043 -5.3016 -4.5840 -4.5834 -3.5179 -3.5119 -2.8483 -2.7982 -2.7489 -2.7034 -1.2318 -1.2113 -0.3258 -0.3180 0.0258 0.0435 0.2776 0.2972 1.0806 1.1891 1.4330 1.4965 1.7960 1.8066 2.2484 2.2618 2.2955 2.3107 2.4505 2.4648 2.7756 2.7784 2.9195 2.9259 3.1491 3.1501 3.3174 3.3199 8.1410 8.2666 9.8626 9.9399 10.4078 10.5413 10.9095 10.9682 12.1834 12.2134 k = 0.0349-0.0126 0.0183 ( 4081 PWs) bands (ev): -16.4207 -16.4201 -15.0592 -15.0570 -14.4145 -14.4117 -13.8423 -13.8420 -13.7553 -13.7543 -13.3639 -13.3629 -5.3031 -5.3011 -4.5762 -4.5757 -3.5228 -3.5182 -2.8427 -2.7928 -2.7672 -2.7208 -1.2239 -1.2084 -0.3188 -0.3131 0.0295 0.0440 0.2790 0.2935 1.0948 1.1779 1.4436 1.4914 1.8204 1.8314 2.2296 2.2484 2.2922 2.2997 2.4364 2.4456 2.7768 2.7789 2.9199 2.9246 3.1533 3.1541 3.3146 3.3166 8.1606 8.2559 9.8792 9.9387 10.4214 10.5287 10.8995 10.9480 12.1880 12.2112 k = 0.0233-0.0084 0.0122 ( 4081 PWs) bands (ev): -16.4230 -16.4226 -15.0566 -15.0551 -14.4172 -14.4154 -13.8405 -13.8403 -13.7535 -13.7528 -13.3627 -13.3621 -5.3023 -5.3009 -4.5703 -4.5700 -3.5260 -3.5229 -2.8354 -2.7917 -2.7778 -2.7364 -1.2173 -1.2070 -0.3134 -0.3097 0.0330 0.0434 0.2805 0.2900 1.1086 1.1646 1.4540 1.4857 1.8439 1.8535 2.2099 2.2277 2.2922 2.2955 2.4272 2.4327 2.7779 2.7793 2.9205 2.9236 3.1564 3.1570 3.3127 3.3140 8.1795 8.2435 9.8942 9.9347 10.4378 10.5131 10.8954 10.9301 12.1926 12.2084 k = 0.0116-0.0042 0.0061 ( 4080 PWs) bands (ev): -16.4243 -16.4241 -15.0548 -15.0541 -14.4187 -14.4178 -13.8394 -13.8393 -13.7523 -13.7520 -13.3620 -13.3616 -5.3017 -5.3010 -4.5666 -4.5665 -3.5277 -3.5261 -2.8264 -2.8032 -2.7724 -2.7503 -1.2123 -1.2071 -0.3098 -0.3080 0.0363 0.0417 0.2822 0.2870 1.1224 1.1506 1.4634 1.4792 1.8623 1.8682 2.1970 2.2078 2.2929 2.2943 2.4224 2.4249 2.7788 2.7795 2.9211 2.9226 3.1584 3.1587 3.3117 3.3124 8.1974 8.2295 9.9075 9.9280 10.4564 10.4952 10.8971 10.9152 12.1970 12.2050 k = 0.0000 0.0000 0.0000 ( 4079 PWs) bands (ev): -16.4247 -16.4247 -15.0540 -15.0540 -14.4189 -14.4189 -13.8390 -13.8390 -13.7518 -13.7518 -13.3616 -13.3616 -5.3013 -5.3013 -4.5653 -4.5653 -3.5277 -3.5277 -2.8156 -2.8156 -2.7624 -2.7624 -1.2089 -1.2089 -0.3080 -0.3080 0.0393 0.0393 0.2844 0.2844 1.1364 1.1364 1.4718 1.4718 1.8715 1.8715 2.1961 2.1961 2.2936 2.2936 2.4216 2.4216 2.7793 2.7793 2.9218 2.9218 3.1592 3.1592 3.3116 3.3116 8.2141 8.2141 9.9189 9.9189 10.4759 10.4759 10.9040 10.9040 12.2011 12.2011 Writing output data file BixBO2x3.save init_run : 2.02s CPU 11.12s WALL ( 1 calls) electrons : 877.88s CPU 885.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.31s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 877.84s CPU 885.61s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.16s CPU 0.53s WALL ( 1 calls) newd : 0.21s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.47s WALL ( 334 calls) cegterg : 819.56s CPU 824.34s WALL ( 726 calls) Called by sum_band: Called by *egterg: h_psi : 328.77s CPU 336.52s WALL ( 13080 calls) s_psi : 23.65s CPU 24.32s WALL ( 13080 calls) g_psi : 0.91s CPU 0.91s WALL ( 12020 calls) cdiaghg : 346.58s CPU 343.74s WALL ( 12354 calls) cegterg:over : 76.21s CPU 73.18s WALL ( 12020 calls) cegterg:upda : 16.68s CPU 20.24s WALL ( 12020 calls) cegterg:last : 14.07s CPU 14.81s WALL ( 2062 calls) Called by h_psi: h_psi:vloc : 261.77s CPU 268.10s WALL ( 13080 calls) h_psi:vnl : 66.71s CPU 67.60s WALL ( 13080 calls) add_vuspsi : 18.75s CPU 22.68s WALL ( 13080 calls) General routines calbec : 47.91s CPU 44.83s WALL ( 13080 calls) fft : 0.20s CPU 1.56s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 250.09s CPU 253.10s WALL ( 1531296 calls) interpolate : 0.01s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 1.35s WALL ( 668 calls) Parallel routines fft_scatter : 160.61s CPU 160.23s WALL ( 1531319 calls) PWSCF : 15m37.85s CPU 17m 8.32s WALL This run was terminated on: 12:47:53 25Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=