Program PWSCF v.5.1.1 starts on 25Nov2015 at 12:36:28 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 33 19 5 1536 668 102 Max 34 20 6 1547 689 109 Sum 1629 941 273 74147 32621 5107 bravais-lattice index = 14 lattice parameter (alat) = 8.2192 a.u. unit-cell volume = 749.7767 (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)= 8.219165 celldm(2)= 1.000000 celldm(3)= 1.495380 celldm(4)= 0.218156 celldm(5)= 0.218156 celldm(6)= 0.350308 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.350308 0.936635 0.000000 ) a(3) = ( 0.326226 0.226285 1.441712 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.374007 -0.167574 ) b(2) = ( 0.000000 1.067652 -0.167574 ) b(3) = ( 0.000000 0.000000 0.693620 ) 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= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0108696 0.0075396 -0.0036429), wk = 0.0029674 k( 3) = ( 0.0217391 0.0150792 -0.0072858), wk = 0.0029674 k( 4) = ( 0.0326087 0.0226189 -0.0109288), wk = 0.0029674 k( 5) = ( 0.0434783 0.0301585 -0.0145717), wk = 0.0029674 k( 6) = ( 0.0543478 0.0376981 -0.0182146), wk = 0.0029674 k( 7) = ( 0.0652174 0.0452377 -0.0218575), wk = 0.0029674 k( 8) = ( 0.0760870 0.0527774 -0.0255004), wk = 0.0029674 k( 9) = ( 0.0869565 0.0603170 -0.0291433), wk = 0.0029674 k( 10) = ( 0.0978261 0.0678566 -0.0327863), wk = 0.0029674 k( 11) = ( 0.1086957 0.0753962 -0.0364292), wk = 0.0029674 k( 12) = ( 0.1195652 0.0829359 -0.0400721), wk = 0.0029674 k( 13) = ( 0.1304348 0.0904755 -0.0437150), wk = 0.0029674 k( 14) = ( 0.1413043 0.0980151 -0.0473579), wk = 0.0029674 k( 15) = ( 0.1521739 0.1055547 -0.0510009), wk = 0.0029674 k( 16) = ( 0.1630435 0.1130944 -0.0546438), wk = 0.0029674 k( 17) = ( 0.1739130 0.1206340 -0.0582867), wk = 0.0029674 k( 18) = ( 0.1847826 0.1281736 -0.0619296), wk = 0.0029674 k( 19) = ( 0.1956522 0.1357132 -0.0655725), wk = 0.0029674 k( 20) = ( 0.2065217 0.1432529 -0.0692154), wk = 0.0029674 k( 21) = ( 0.2173913 0.1507925 -0.0728584), wk = 0.0029674 k( 22) = ( 0.2282609 0.1583321 -0.0765013), wk = 0.0029674 k( 23) = ( 0.2391304 0.1658717 -0.0801442), wk = 0.0029674 k( 24) = ( 0.2500000 0.1734114 -0.0837871), wk = 0.0029674 k( 25) = ( 0.2608696 0.1809510 -0.0874300), wk = 0.0029674 k( 26) = ( 0.2717391 0.1884906 -0.0910730), wk = 0.0029674 k( 27) = ( 0.2826087 0.1960302 -0.0947159), wk = 0.0029674 k( 28) = ( 0.2934783 0.2035699 -0.0983588), wk = 0.0029674 k( 29) = ( 0.3043478 0.2111095 -0.1020017), wk = 0.0029674 k( 30) = ( 0.3152174 0.2186491 -0.1056446), wk = 0.0029674 k( 31) = ( 0.3260870 0.2261887 -0.1092875), wk = 0.0029674 k( 32) = ( 0.3369565 0.2337283 -0.1129305), wk = 0.0029674 k( 33) = ( 0.3478261 0.2412680 -0.1165734), wk = 0.0029674 k( 34) = ( 0.3586956 0.2488076 -0.1202163), wk = 0.0029674 k( 35) = ( 0.3695652 0.2563472 -0.1238592), wk = 0.0029674 k( 36) = ( 0.3804348 0.2638868 -0.1275021), wk = 0.0029674 k( 37) = ( 0.3913044 0.2714265 -0.1311450), wk = 0.0029674 k( 38) = ( 0.4021739 0.2789661 -0.1347880), wk = 0.0029674 k( 39) = ( 0.4130435 0.2865057 -0.1384309), wk = 0.0029674 k( 40) = ( 0.4239130 0.2940453 -0.1420738), wk = 0.0029674 k( 41) = ( 0.4347826 0.3015850 -0.1457167), wk = 0.0029674 k( 42) = ( 0.4456522 0.3091246 -0.1493596), wk = 0.0029674 k( 43) = ( 0.4565217 0.3166642 -0.1530026), wk = 0.0029674 k( 44) = ( 0.4673913 0.3242038 -0.1566455), wk = 0.0029674 k( 45) = ( 0.4782609 0.3317435 -0.1602884), wk = 0.0029674 k( 46) = ( 0.4891304 0.3392831 -0.1639313), wk = 0.0029674 k( 47) = ( 0.5000000 0.3468227 -0.1675742), wk = 0.0029674 k( 48) = ( 0.5000000 0.3468227 -0.1675742), wk = 0.0029674 k( 49) = ( 0.5028969 0.3488321 -0.1547717), wk = 0.0029674 k( 50) = ( 0.5057938 0.3508416 -0.1419691), wk = 0.0029674 k( 51) = ( 0.5086908 0.3528510 -0.1291666), wk = 0.0029674 k( 52) = ( 0.5115877 0.3548604 -0.1163640), wk = 0.0029674 k( 53) = ( 0.5144846 0.3568699 -0.1035615), wk = 0.0029674 k( 54) = ( 0.5173815 0.3588793 -0.0907589), wk = 0.0029674 k( 55) = ( 0.5202784 0.3608887 -0.0779564), wk = 0.0029674 k( 56) = ( 0.5231754 0.3628982 -0.0651539), wk = 0.0029674 k( 57) = ( 0.5260723 0.3649076 -0.0523513), wk = 0.0029674 k( 58) = ( 0.5289692 0.3669171 -0.0395488), wk = 0.0029674 k( 59) = ( 0.5318661 0.3689265 -0.0267462), wk = 0.0029674 k( 60) = ( 0.5347630 0.3709359 -0.0139437), wk = 0.0029674 k( 61) = ( 0.5376599 0.3729454 -0.0011411), wk = 0.0029674 k( 62) = ( 0.5405569 0.3749548 0.0116614), wk = 0.0029674 k( 63) = ( 0.5405569 0.3749548 0.0116614), wk = 0.0029674 k( 64) = ( 0.5374371 0.3727908 0.0245517), wk = 0.0029674 k( 65) = ( 0.5343173 0.3706268 0.0374421), wk = 0.0029674 k( 66) = ( 0.5311976 0.3684628 0.0503324), wk = 0.0029674 k( 67) = ( 0.5280778 0.3662988 0.0632227), wk = 0.0029674 k( 68) = ( 0.5249581 0.3641348 0.0761130), wk = 0.0029674 k( 69) = ( 0.5218383 0.3619708 0.0890034), wk = 0.0029674 k( 70) = ( 0.5187186 0.3598067 0.1018937), wk = 0.0029674 k( 71) = ( 0.5155988 0.3576427 0.1147840), wk = 0.0029674 k( 72) = ( 0.5124790 0.3554787 0.1276743), wk = 0.0029674 k( 73) = ( 0.5093593 0.3533147 0.1405647), wk = 0.0029674 k( 74) = ( 0.5062395 0.3511507 0.1534550), wk = 0.0029674 k( 75) = ( 0.5031198 0.3489867 0.1663453), wk = 0.0029674 k( 76) = ( 0.5000000 0.3468227 0.1792356), wk = 0.0029674 k( 77) = ( 0.5000000 0.3468227 0.1792356), wk = 0.0029674 k( 78) = ( 0.5075405 0.3359519 0.1792356), wk = 0.0029674 k( 79) = ( 0.5150809 0.3250812 0.1792356), wk = 0.0029674 k( 80) = ( 0.5226214 0.3142104 0.1792356), wk = 0.0029674 k( 81) = ( 0.5301619 0.3033396 0.1792356), wk = 0.0029674 k( 82) = ( 0.5377023 0.2924688 0.1792356), wk = 0.0029674 k( 83) = ( 0.5452428 0.2815981 0.1792356), wk = 0.0029674 k( 84) = ( 0.5527832 0.2707273 0.1792356), wk = 0.0029674 k( 85) = ( 0.5603237 0.2598565 0.1792356), wk = 0.0029674 k( 86) = ( 0.5678642 0.2489857 0.1792356), wk = 0.0029674 k( 87) = ( 0.5754046 0.2381149 0.1792356), wk = 0.0029674 k( 88) = ( 0.5829451 0.2272442 0.1792356), wk = 0.0029674 k( 89) = ( 0.5904856 0.2163734 0.1792356), wk = 0.0029674 k( 90) = ( 0.5980260 0.2055026 0.1792356), wk = 0.0029674 k( 91) = ( 0.6055665 0.1946319 0.1792356), wk = 0.0029674 k( 92) = ( 0.6131070 0.1837611 0.1792356), wk = 0.0029674 k( 93) = ( 0.6206474 0.1728903 0.1792356), wk = 0.0029674 k( 94) = ( 0.6281879 0.1620195 0.1792356), wk = 0.0029674 k( 95) = ( 0.6357284 0.1511487 0.1792356), wk = 0.0029674 k( 96) = ( 0.6432688 0.1402780 0.1792356), wk = 0.0029674 k( 97) = ( 0.6508093 0.1294072 0.1792356), wk = 0.0029674 k( 98) = ( 0.6583497 0.1185364 0.1792356), wk = 0.0029674 k( 99) = ( 0.3416503 -0.4925431 0.3468099), wk = 0.0029674 k( 100) = ( 0.3338855 -0.4813489 0.3468099), wk = 0.0029674 k( 101) = ( 0.3261207 -0.4701548 0.3468099), wk = 0.0029674 k( 102) = ( 0.3183559 -0.4589606 0.3468099), wk = 0.0029674 k( 103) = ( 0.3105911 -0.4477664 0.3468099), wk = 0.0029674 k( 104) = ( 0.3028264 -0.4365723 0.3468099), wk = 0.0029674 k( 105) = ( 0.2950616 -0.4253781 0.3468099), wk = 0.0029674 k( 106) = ( 0.2872968 -0.4141840 0.3468099), wk = 0.0029674 k( 107) = ( 0.2795320 -0.4029898 0.3468099), wk = 0.0029674 k( 108) = ( 0.2717673 -0.3917956 0.3468099), wk = 0.0029674 k( 109) = ( 0.2640025 -0.3806015 0.3468099), wk = 0.0029674 k( 110) = ( 0.2562377 -0.3694073 0.3468099), wk = 0.0029674 k( 111) = ( 0.2484729 -0.3582131 0.3468099), wk = 0.0029674 k( 112) = ( 0.2407081 -0.3470190 0.3468099), wk = 0.0029674 k( 113) = ( 0.2329434 -0.3358248 0.3468099), wk = 0.0029674 k( 114) = ( 0.2251786 -0.3246307 0.3468099), wk = 0.0029674 k( 115) = ( 0.2174138 -0.3134365 0.3468099), wk = 0.0029674 k( 116) = ( 0.2096490 -0.3022423 0.3468099), wk = 0.0029674 k( 117) = ( 0.2018842 -0.2910482 0.3468099), wk = 0.0029674 k( 118) = ( 0.1941195 -0.2798540 0.3468099), wk = 0.0029674 k( 119) = ( 0.1863547 -0.2686599 0.3468099), wk = 0.0029674 k( 120) = ( 0.1785899 -0.2574657 0.3468099), wk = 0.0029674 k( 121) = ( 0.1708251 -0.2462715 0.3468099), wk = 0.0029674 k( 122) = ( 0.1630603 -0.2350774 0.3468099), wk = 0.0029674 k( 123) = ( 0.1552956 -0.2238832 0.3468099), wk = 0.0029674 k( 124) = ( 0.1475308 -0.2126891 0.3468099), wk = 0.0029674 k( 125) = ( 0.1397660 -0.2014949 0.3468099), wk = 0.0029674 k( 126) = ( 0.1320012 -0.1903007 0.3468099), wk = 0.0029674 k( 127) = ( 0.1242365 -0.1791066 0.3468099), wk = 0.0029674 k( 128) = ( 0.1164717 -0.1679124 0.3468099), wk = 0.0029674 k( 129) = ( 0.1087069 -0.1567183 0.3468099), wk = 0.0029674 k( 130) = ( 0.1009421 -0.1455241 0.3468099), wk = 0.0029674 k( 131) = ( 0.0931773 -0.1343299 0.3468099), wk = 0.0029674 k( 132) = ( 0.0854126 -0.1231358 0.3468099), wk = 0.0029674 k( 133) = ( 0.0776478 -0.1119416 0.3468099), wk = 0.0029674 k( 134) = ( 0.0698830 -0.1007475 0.3468099), wk = 0.0029674 k( 135) = ( 0.0621182 -0.0895533 0.3468099), wk = 0.0029674 k( 136) = ( 0.0543534 -0.0783591 0.3468099), wk = 0.0029674 k( 137) = ( 0.0465887 -0.0671650 0.3468099), wk = 0.0029674 k( 138) = ( 0.0388239 -0.0559708 0.3468099), wk = 0.0029674 k( 139) = ( 0.0310591 -0.0447766 0.3468099), wk = 0.0029674 k( 140) = ( 0.0232943 -0.0335825 0.3468099), wk = 0.0029674 k( 141) = ( 0.0155296 -0.0223883 0.3468099), wk = 0.0029674 k( 142) = ( 0.0077648 -0.0111942 0.3468099), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.3468099), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.3468099), wk = 0.0029674 k( 145) = ( 0.0112059 0.0077729 0.3468099), wk = 0.0029674 k( 146) = ( 0.0224119 0.0155459 0.3468099), wk = 0.0029674 k( 147) = ( 0.0336178 0.0233188 0.3468099), wk = 0.0029674 k( 148) = ( 0.0448237 0.0310918 0.3468099), wk = 0.0029674 k( 149) = ( 0.0560297 0.0388647 0.3468099), wk = 0.0029674 k( 150) = ( 0.0672356 0.0466377 0.3468099), wk = 0.0029674 k( 151) = ( 0.0784415 0.0544106 0.3468099), wk = 0.0029674 k( 152) = ( 0.0896474 0.0621835 0.3468099), wk = 0.0029674 k( 153) = ( 0.1008534 0.0699565 0.3468099), wk = 0.0029674 k( 154) = ( 0.1120593 0.0777294 0.3468099), wk = 0.0029674 k( 155) = ( 0.1232652 0.0855024 0.3468099), wk = 0.0029674 k( 156) = ( 0.1344712 0.0932753 0.3468099), wk = 0.0029674 k( 157) = ( 0.1456771 0.1010482 0.3468099), wk = 0.0029674 k( 158) = ( 0.1568830 0.1088212 0.3468099), wk = 0.0029674 k( 159) = ( 0.1680889 0.1165941 0.3468099), wk = 0.0029674 k( 160) = ( 0.1792949 0.1243671 0.3468099), wk = 0.0029674 k( 161) = ( 0.1905008 0.1321400 0.3468099), wk = 0.0029674 k( 162) = ( 0.2017067 0.1399130 0.3468099), wk = 0.0029674 k( 163) = ( 0.2129127 0.1476859 0.3468099), wk = 0.0029674 k( 164) = ( 0.2241186 0.1554588 0.3468099), wk = 0.0029674 k( 165) = ( 0.2353245 0.1632318 0.3468099), wk = 0.0029674 k( 166) = ( 0.2465305 0.1710047 0.3468099), wk = 0.0029674 k( 167) = ( 0.2577364 0.1787777 0.3468099), wk = 0.0029674 k( 168) = ( 0.2689423 0.1865506 0.3468099), wk = 0.0029674 k( 169) = ( 0.2801483 0.1943236 0.3468099), wk = 0.0029674 k( 170) = ( 0.2913542 0.2020965 0.3468099), wk = 0.0029674 k( 171) = ( 0.3025601 0.2098694 0.3468099), wk = 0.0029674 k( 172) = ( 0.3137661 0.2176424 0.3468099), wk = 0.0029674 k( 173) = ( 0.3249720 0.2254153 0.3468099), wk = 0.0029674 k( 174) = ( 0.3361779 0.2331883 0.3468099), wk = 0.0029674 k( 175) = ( 0.3473838 0.2409612 0.3468099), wk = 0.0029674 k( 176) = ( 0.3585898 0.2487342 0.3468099), wk = 0.0029674 k( 177) = ( 0.3697957 0.2565071 0.3468099), wk = 0.0029674 k( 178) = ( 0.3810016 0.2642800 0.3468099), wk = 0.0029674 k( 179) = ( 0.3922076 0.2720530 0.3468099), wk = 0.0029674 k( 180) = ( 0.4034135 0.2798259 0.3468099), wk = 0.0029674 k( 181) = ( 0.4146194 0.2875989 0.3468099), wk = 0.0029674 k( 182) = ( 0.4258253 0.2953718 0.3468099), wk = 0.0029674 k( 183) = ( 0.4370313 0.3031447 0.3468099), wk = 0.0029674 k( 184) = ( 0.4482372 0.3109177 0.3468099), wk = 0.0029674 k( 185) = ( 0.4594431 0.3186906 0.3468099), wk = 0.0029674 k( 186) = ( 0.5000000 0.3468227 -0.1675742), wk = 0.0029674 k( 187) = ( 0.5075370 0.3359569 -0.1675742), wk = 0.0029674 k( 188) = ( 0.5150740 0.3250911 -0.1675742), wk = 0.0029674 k( 189) = ( 0.5226110 0.3142254 -0.1675742), wk = 0.0029674 k( 190) = ( 0.5301480 0.3033596 -0.1675742), wk = 0.0029674 k( 191) = ( 0.5376850 0.2924938 -0.1675742), wk = 0.0029674 k( 192) = ( 0.5452220 0.2816280 -0.1675742), wk = 0.0029674 k( 193) = ( 0.5527590 0.2707623 -0.1675742), wk = 0.0029674 k( 194) = ( 0.5602960 0.2598965 -0.1675742), wk = 0.0029674 k( 195) = ( 0.5678330 0.2490307 -0.1675742), wk = 0.0029674 k( 196) = ( 0.5753700 0.2381649 -0.1675742), wk = 0.0029674 k( 197) = ( 0.5829070 0.2272991 -0.1675742), wk = 0.0029674 k( 198) = ( 0.5904440 0.2164334 -0.1675742), wk = 0.0029674 k( 199) = ( 0.5979810 0.2055676 -0.1675742), wk = 0.0029674 k( 200) = ( 0.6055180 0.1947018 -0.1675742), wk = 0.0029674 k( 201) = ( 0.6130550 0.1838360 -0.1675742), wk = 0.0029674 k( 202) = ( 0.6205920 0.1729703 -0.1675742), wk = 0.0029674 k( 203) = ( 0.3794080 -0.5469769 0.0000000), wk = 0.0029674 k( 204) = ( 0.3716650 -0.5358141 0.0000000), wk = 0.0029674 k( 205) = ( 0.3639220 -0.5246513 0.0000000), wk = 0.0029674 k( 206) = ( 0.3561790 -0.5134885 0.0000000), wk = 0.0029674 k( 207) = ( 0.3484359 -0.5023257 0.0000000), wk = 0.0029674 k( 208) = ( 0.3406929 -0.4911629 0.0000000), wk = 0.0029674 k( 209) = ( 0.3329499 -0.4800002 0.0000000), wk = 0.0029674 k( 210) = ( 0.3252069 -0.4688374 0.0000000), wk = 0.0029674 k( 211) = ( 0.3174639 -0.4576746 0.0000000), wk = 0.0029674 k( 212) = ( 0.3097208 -0.4465118 0.0000000), wk = 0.0029674 k( 213) = ( 0.3019778 -0.4353490 0.0000000), wk = 0.0029674 k( 214) = ( 0.2942348 -0.4241862 0.0000000), wk = 0.0029674 k( 215) = ( 0.2864918 -0.4130234 0.0000000), wk = 0.0029674 k( 216) = ( 0.2787488 -0.4018606 0.0000000), wk = 0.0029674 k( 217) = ( 0.2710057 -0.3906978 0.0000000), wk = 0.0029674 k( 218) = ( 0.2632627 -0.3795350 0.0000000), wk = 0.0029674 k( 219) = ( 0.2555197 -0.3683722 0.0000000), wk = 0.0029674 k( 220) = ( 0.2477767 -0.3572094 0.0000000), wk = 0.0029674 k( 221) = ( 0.2400337 -0.3460466 0.0000000), wk = 0.0029674 k( 222) = ( 0.2322906 -0.3348838 0.0000000), wk = 0.0029674 k( 223) = ( 0.2245476 -0.3237210 0.0000000), wk = 0.0029674 k( 224) = ( 0.2168046 -0.3125582 0.0000000), wk = 0.0029674 k( 225) = ( 0.2090616 -0.3013954 0.0000000), wk = 0.0029674 k( 226) = ( 0.2013186 -0.2902327 0.0000000), wk = 0.0029674 k( 227) = ( 0.1935755 -0.2790699 0.0000000), wk = 0.0029674 k( 228) = ( 0.1858325 -0.2679071 0.0000000), wk = 0.0029674 k( 229) = ( 0.1780895 -0.2567443 0.0000000), wk = 0.0029674 k( 230) = ( 0.1703465 -0.2455815 0.0000000), wk = 0.0029674 k( 231) = ( 0.1626034 -0.2344187 0.0000000), wk = 0.0029674 k( 232) = ( 0.1548604 -0.2232559 0.0000000), wk = 0.0029674 k( 233) = ( 0.1471174 -0.2120931 0.0000000), wk = 0.0029674 k( 234) = ( 0.1393744 -0.2009303 0.0000000), wk = 0.0029674 k( 235) = ( 0.1316314 -0.1897675 0.0000000), wk = 0.0029674 k( 236) = ( 0.1238883 -0.1786047 0.0000000), wk = 0.0029674 k( 237) = ( 0.1161453 -0.1674419 0.0000000), wk = 0.0029674 k( 238) = ( 0.1084023 -0.1562791 0.0000000), wk = 0.0029674 k( 239) = ( 0.1006593 -0.1451163 0.0000000), wk = 0.0029674 k( 240) = ( 0.0929163 -0.1339535 0.0000000), wk = 0.0029674 k( 241) = ( 0.0851732 -0.1227907 0.0000000), wk = 0.0029674 k( 242) = ( 0.0774302 -0.1116279 0.0000000), wk = 0.0029674 k( 243) = ( 0.0696872 -0.1004651 0.0000000), wk = 0.0029674 k( 244) = ( 0.0619442 -0.0893024 0.0000000), wk = 0.0029674 k( 245) = ( 0.0542011 -0.0781396 0.0000000), wk = 0.0029674 k( 246) = ( 0.0464581 -0.0669768 0.0000000), wk = 0.0029674 k( 247) = ( 0.0387151 -0.0558140 0.0000000), wk = 0.0029674 k( 248) = ( 0.0309721 -0.0446512 0.0000000), wk = 0.0029674 k( 249) = ( 0.0232291 -0.0334884 0.0000000), wk = 0.0029674 k( 250) = ( 0.0154860 -0.0223256 0.0000000), wk = 0.0029674 k( 251) = ( 0.0077430 -0.0111628 0.0000000), wk = 0.0029674 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 254) = ( 0.0125000 -0.0046751 -0.0020947), wk = 0.0029674 k( 255) = ( 0.0250000 -0.0093502 -0.0041894), wk = 0.0029674 k( 256) = ( 0.0375000 -0.0140253 -0.0062840), wk = 0.0029674 k( 257) = ( 0.0500000 -0.0187003 -0.0083787), wk = 0.0029674 k( 258) = ( 0.0625000 -0.0233754 -0.0104734), wk = 0.0029674 k( 259) = ( 0.0750000 -0.0280505 -0.0125681), wk = 0.0029674 k( 260) = ( 0.0875000 -0.0327256 -0.0146627), wk = 0.0029674 k( 261) = ( 0.1000000 -0.0374007 -0.0167574), wk = 0.0029674 k( 262) = ( 0.1125000 -0.0420758 -0.0188521), wk = 0.0029674 k( 263) = ( 0.1250000 -0.0467508 -0.0209468), wk = 0.0029674 k( 264) = ( 0.1375000 -0.0514259 -0.0230415), wk = 0.0029674 k( 265) = ( 0.1500000 -0.0561010 -0.0251361), wk = 0.0029674 k( 266) = ( 0.1625000 -0.0607761 -0.0272308), wk = 0.0029674 k( 267) = ( 0.1750000 -0.0654512 -0.0293255), wk = 0.0029674 k( 268) = ( 0.1875000 -0.0701263 -0.0314202), wk = 0.0029674 k( 269) = ( 0.2000000 -0.0748013 -0.0335148), wk = 0.0029674 k( 270) = ( 0.2125000 -0.0794764 -0.0356095), wk = 0.0029674 k( 271) = ( 0.2250000 -0.0841515 -0.0377042), wk = 0.0029674 k( 272) = ( 0.2375000 -0.0888266 -0.0397989), wk = 0.0029674 k( 273) = ( 0.2500000 -0.0935017 -0.0418936), wk = 0.0029674 k( 274) = ( 0.2625000 -0.0981768 -0.0439882), wk = 0.0029674 k( 275) = ( 0.2750000 -0.1028518 -0.0460829), wk = 0.0029674 k( 276) = ( 0.2875000 -0.1075269 -0.0481776), wk = 0.0029674 k( 277) = ( 0.3000000 -0.1122020 -0.0502723), wk = 0.0029674 k( 278) = ( 0.3125000 -0.1168771 -0.0523669), wk = 0.0029674 k( 279) = ( 0.3250000 -0.1215522 -0.0544616), wk = 0.0029674 k( 280) = ( 0.3375000 -0.1262273 -0.0565563), wk = 0.0029674 k( 281) = ( 0.3500000 -0.1309023 -0.0586510), wk = 0.0029674 k( 282) = ( 0.3625000 -0.1355774 -0.0607457), wk = 0.0029674 k( 283) = ( 0.3750000 -0.1402525 -0.0628403), wk = 0.0029674 k( 284) = ( 0.3875000 -0.1449276 -0.0649350), wk = 0.0029674 k( 285) = ( 0.4000000 -0.1496027 -0.0670297), wk = 0.0029674 k( 286) = ( 0.4125000 -0.1542778 -0.0691244), wk = 0.0029674 k( 287) = ( 0.4250000 -0.1589528 -0.0712190), wk = 0.0029674 k( 288) = ( 0.4375000 -0.1636279 -0.0733137), wk = 0.0029674 k( 289) = ( 0.4500000 -0.1683030 -0.0754084), wk = 0.0029674 k( 290) = ( 0.4625000 -0.1729781 -0.0775031), wk = 0.0029674 k( 291) = ( 0.4750000 -0.1776532 -0.0795978), wk = 0.0029674 k( 292) = ( 0.4875000 -0.1823283 -0.0816924), wk = 0.0029674 k( 293) = ( 0.5000000 -0.1870033 -0.0837871), wk = 0.0029674 k( 294) = ( 0.5000000 -0.1870033 0.2630228), wk = 0.0029674 k( 295) = ( 0.4883721 -0.1826544 0.2569059), wk = 0.0029674 k( 296) = ( 0.4767442 -0.1783055 0.2507891), wk = 0.0029674 k( 297) = ( 0.4651163 -0.1739566 0.2446723), wk = 0.0029674 k( 298) = ( 0.4534884 -0.1696077 0.2385555), wk = 0.0029674 k( 299) = ( 0.4418605 -0.1652588 0.2324387), wk = 0.0029674 k( 300) = ( 0.4302326 -0.1609098 0.2263219), wk = 0.0029674 k( 301) = ( 0.4186047 -0.1565609 0.2202051), wk = 0.0029674 k( 302) = ( 0.4069767 -0.1522120 0.2140883), wk = 0.0029674 k( 303) = ( 0.3953488 -0.1478631 0.2079715), wk = 0.0029674 k( 304) = ( 0.3837209 -0.1435142 0.2018547), wk = 0.0029674 k( 305) = ( 0.3720930 -0.1391653 0.1957379), wk = 0.0029674 k( 306) = ( 0.3604651 -0.1348164 0.1896211), wk = 0.0029674 k( 307) = ( 0.3488372 -0.1304674 0.1835043), wk = 0.0029674 k( 308) = ( 0.3372093 -0.1261185 0.1773874), wk = 0.0029674 k( 309) = ( 0.3255814 -0.1217696 0.1712706), wk = 0.0029674 k( 310) = ( 0.3139535 -0.1174207 0.1651538), wk = 0.0029674 k( 311) = ( 0.3023256 -0.1130718 0.1590370), wk = 0.0029674 k( 312) = ( 0.2906977 -0.1087229 0.1529202), wk = 0.0029674 k( 313) = ( 0.2790698 -0.1043740 0.1468034), wk = 0.0029674 k( 314) = ( 0.2674419 -0.1000250 0.1406866), wk = 0.0029674 k( 315) = ( 0.2558140 -0.0956761 0.1345698), wk = 0.0029674 k( 316) = ( 0.2441860 -0.0913272 0.1284530), wk = 0.0029674 k( 317) = ( 0.2325581 -0.0869783 0.1223362), wk = 0.0029674 k( 318) = ( 0.2209302 -0.0826294 0.1162194), wk = 0.0029674 k( 319) = ( 0.2093023 -0.0782805 0.1101026), wk = 0.0029674 k( 320) = ( 0.1976744 -0.0739316 0.1039857), wk = 0.0029674 k( 321) = ( 0.1860465 -0.0695826 0.0978689), wk = 0.0029674 k( 322) = ( 0.1744186 -0.0652337 0.0917521), wk = 0.0029674 k( 323) = ( 0.1627907 -0.0608848 0.0856353), wk = 0.0029674 k( 324) = ( 0.1511628 -0.0565359 0.0795185), wk = 0.0029674 k( 325) = ( 0.1395349 -0.0521870 0.0734017), wk = 0.0029674 k( 326) = ( 0.1279070 -0.0478381 0.0672849), wk = 0.0029674 k( 327) = ( 0.1162791 -0.0434891 0.0611681), wk = 0.0029674 k( 328) = ( 0.1046512 -0.0391402 0.0550513), wk = 0.0029674 k( 329) = ( 0.0930233 -0.0347913 0.0489345), wk = 0.0029674 k( 330) = ( 0.0813954 -0.0304424 0.0428177), wk = 0.0029674 k( 331) = ( 0.0697674 -0.0260935 0.0367008), wk = 0.0029674 k( 332) = ( 0.0581395 -0.0217446 0.0305840), wk = 0.0029674 k( 333) = ( 0.0465116 -0.0173957 0.0244672), wk = 0.0029674 k( 334) = ( 0.0348837 -0.0130467 0.0183504), wk = 0.0029674 k( 335) = ( 0.0232558 -0.0086978 0.0122336), wk = 0.0029674 k( 336) = ( 0.0116279 -0.0043489 0.0061168), wk = 0.0029674 k( 337) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0029674 k( 5) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0029674 k( 7) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0029674 k( 8) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0029674 k( 9) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0029674 k( 10) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0029674 k( 11) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0029674 k( 12) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0029674 k( 13) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0029674 k( 14) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0029674 k( 15) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0029674 k( 16) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0029674 k( 17) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0029674 k( 18) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0029674 k( 19) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0029674 k( 20) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0029674 k( 21) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0029674 k( 22) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0029674 k( 23) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0029674 k( 24) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029674 k( 25) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0029674 k( 26) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0029674 k( 27) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0029674 k( 28) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0029674 k( 29) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0029674 k( 30) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0029674 k( 31) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0029674 k( 32) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0029674 k( 33) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0029674 k( 34) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0029674 k( 35) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0029674 k( 36) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0029674 k( 37) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0029674 k( 38) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0029674 k( 39) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0029674 k( 40) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0029674 k( 41) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0029674 k( 42) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0029674 k( 43) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0029674 k( 44) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0029674 k( 45) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0029674 k( 46) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0029674 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029674 k( 48) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029674 k( 49) = ( 0.5028969 0.5028969 0.0198573), wk = 0.0029674 k( 50) = ( 0.5057938 0.5057938 0.0397147), wk = 0.0029674 k( 51) = ( 0.5086908 0.5086908 0.0595720), wk = 0.0029674 k( 52) = ( 0.5115877 0.5115877 0.0794294), wk = 0.0029674 k( 53) = ( 0.5144846 0.5144846 0.0992867), wk = 0.0029674 k( 54) = ( 0.5173815 0.5173815 0.1191441), wk = 0.0029674 k( 55) = ( 0.5202784 0.5202784 0.1390014), wk = 0.0029674 k( 56) = ( 0.5231754 0.5231754 0.1588587), wk = 0.0029674 k( 57) = ( 0.5260723 0.5260723 0.1787161), wk = 0.0029674 k( 58) = ( 0.5289692 0.5289692 0.1985734), wk = 0.0029674 k( 59) = ( 0.5318661 0.5318661 0.2184308), wk = 0.0029674 k( 60) = ( 0.5347630 0.5347630 0.2382881), wk = 0.0029674 k( 61) = ( 0.5376599 0.5376599 0.2581454), wk = 0.0029674 k( 62) = ( 0.5405569 0.5405569 0.2780028), wk = 0.0029674 k( 63) = ( 0.5405569 0.5405569 0.2780028), wk = 0.0029674 k( 64) = ( 0.5374371 0.5374371 0.2950795), wk = 0.0029674 k( 65) = ( 0.5343173 0.5343173 0.3121562), wk = 0.0029674 k( 66) = ( 0.5311976 0.5311976 0.3292329), wk = 0.0029674 k( 67) = ( 0.5280778 0.5280778 0.3463096), wk = 0.0029674 k( 68) = ( 0.5249581 0.5249581 0.3633863), wk = 0.0029674 k( 69) = ( 0.5218383 0.5218383 0.3804630), wk = 0.0029674 k( 70) = ( 0.5187186 0.5187186 0.3975397), wk = 0.0029674 k( 71) = ( 0.5155988 0.5155988 0.4146165), wk = 0.0029674 k( 72) = ( 0.5124790 0.5124790 0.4316932), wk = 0.0029674 k( 73) = ( 0.5093593 0.5093593 0.4487699), wk = 0.0029674 k( 74) = ( 0.5062395 0.5062395 0.4658466), wk = 0.0029674 k( 75) = ( 0.5031198 0.5031198 0.4829233), wk = 0.0029674 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 78) = ( 0.5075405 0.4924595 0.5000000), wk = 0.0029674 k( 79) = ( 0.5150809 0.4849191 0.5000000), wk = 0.0029674 k( 80) = ( 0.5226214 0.4773786 0.5000000), wk = 0.0029674 k( 81) = ( 0.5301619 0.4698381 0.5000000), wk = 0.0029674 k( 82) = ( 0.5377023 0.4622977 0.5000000), wk = 0.0029674 k( 83) = ( 0.5452428 0.4547572 0.5000000), wk = 0.0029674 k( 84) = ( 0.5527832 0.4472168 0.5000000), wk = 0.0029674 k( 85) = ( 0.5603237 0.4396763 0.5000000), wk = 0.0029674 k( 86) = ( 0.5678642 0.4321358 0.5000000), wk = 0.0029674 k( 87) = ( 0.5754046 0.4245954 0.5000000), wk = 0.0029674 k( 88) = ( 0.5829451 0.4170549 0.5000000), wk = 0.0029674 k( 89) = ( 0.5904856 0.4095144 0.5000000), wk = 0.0029674 k( 90) = ( 0.5980260 0.4019740 0.5000000), wk = 0.0029674 k( 91) = ( 0.6055665 0.3944335 0.5000000), wk = 0.0029674 k( 92) = ( 0.6131070 0.3868930 0.5000000), wk = 0.0029674 k( 93) = ( 0.6206474 0.3793526 0.5000000), wk = 0.0029674 k( 94) = ( 0.6281879 0.3718121 0.5000000), wk = 0.0029674 k( 95) = ( 0.6357284 0.3642716 0.5000000), wk = 0.0029674 k( 96) = ( 0.6432688 0.3567312 0.5000000), wk = 0.0029674 k( 97) = ( 0.6508093 0.3491907 0.5000000), wk = 0.0029674 k( 98) = ( 0.6583497 0.3416503 0.5000000), wk = 0.0029674 k( 99) = ( 0.3416503 -0.3416503 0.5000000), wk = 0.0029674 k( 100) = ( 0.3338855 -0.3338855 0.5000000), wk = 0.0029674 k( 101) = ( 0.3261207 -0.3261207 0.5000000), wk = 0.0029674 k( 102) = ( 0.3183559 -0.3183559 0.5000000), wk = 0.0029674 k( 103) = ( 0.3105911 -0.3105911 0.5000000), wk = 0.0029674 k( 104) = ( 0.3028264 -0.3028264 0.5000000), wk = 0.0029674 k( 105) = ( 0.2950616 -0.2950616 0.5000000), wk = 0.0029674 k( 106) = ( 0.2872968 -0.2872968 0.5000000), wk = 0.0029674 k( 107) = ( 0.2795320 -0.2795320 0.5000000), wk = 0.0029674 k( 108) = ( 0.2717673 -0.2717673 0.5000000), wk = 0.0029674 k( 109) = ( 0.2640025 -0.2640025 0.5000000), wk = 0.0029674 k( 110) = ( 0.2562377 -0.2562377 0.5000000), wk = 0.0029674 k( 111) = ( 0.2484729 -0.2484729 0.5000000), wk = 0.0029674 k( 112) = ( 0.2407081 -0.2407081 0.5000000), wk = 0.0029674 k( 113) = ( 0.2329434 -0.2329434 0.5000000), wk = 0.0029674 k( 114) = ( 0.2251786 -0.2251786 0.5000000), wk = 0.0029674 k( 115) = ( 0.2174138 -0.2174138 0.5000000), wk = 0.0029674 k( 116) = ( 0.2096490 -0.2096490 0.5000000), wk = 0.0029674 k( 117) = ( 0.2018842 -0.2018842 0.5000000), wk = 0.0029674 k( 118) = ( 0.1941195 -0.1941195 0.5000000), wk = 0.0029674 k( 119) = ( 0.1863547 -0.1863547 0.5000000), wk = 0.0029674 k( 120) = ( 0.1785899 -0.1785899 0.5000000), wk = 0.0029674 k( 121) = ( 0.1708251 -0.1708251 0.5000000), wk = 0.0029674 k( 122) = ( 0.1630603 -0.1630603 0.5000000), wk = 0.0029674 k( 123) = ( 0.1552956 -0.1552956 0.5000000), wk = 0.0029674 k( 124) = ( 0.1475308 -0.1475308 0.5000000), wk = 0.0029674 k( 125) = ( 0.1397660 -0.1397660 0.5000000), wk = 0.0029674 k( 126) = ( 0.1320012 -0.1320012 0.5000000), wk = 0.0029674 k( 127) = ( 0.1242365 -0.1242365 0.5000000), wk = 0.0029674 k( 128) = ( 0.1164717 -0.1164717 0.5000000), wk = 0.0029674 k( 129) = ( 0.1087069 -0.1087069 0.5000000), wk = 0.0029674 k( 130) = ( 0.1009421 -0.1009421 0.5000000), wk = 0.0029674 k( 131) = ( 0.0931773 -0.0931773 0.5000000), wk = 0.0029674 k( 132) = ( 0.0854126 -0.0854126 0.5000000), wk = 0.0029674 k( 133) = ( 0.0776478 -0.0776478 0.5000000), wk = 0.0029674 k( 134) = ( 0.0698830 -0.0698830 0.5000000), wk = 0.0029674 k( 135) = ( 0.0621182 -0.0621182 0.5000000), wk = 0.0029674 k( 136) = ( 0.0543534 -0.0543535 0.5000000), wk = 0.0029674 k( 137) = ( 0.0465887 -0.0465887 0.5000000), wk = 0.0029674 k( 138) = ( 0.0388239 -0.0388239 0.5000000), wk = 0.0029674 k( 139) = ( 0.0310591 -0.0310591 0.5000000), wk = 0.0029674 k( 140) = ( 0.0232943 -0.0232943 0.5000000), wk = 0.0029674 k( 141) = ( 0.0155296 -0.0155296 0.5000000), wk = 0.0029674 k( 142) = ( 0.0077648 -0.0077648 0.5000000), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 145) = ( 0.0112059 0.0112059 0.5054146), wk = 0.0029674 k( 146) = ( 0.0224119 0.0224119 0.5108291), wk = 0.0029674 k( 147) = ( 0.0336178 0.0336178 0.5162437), wk = 0.0029674 k( 148) = ( 0.0448237 0.0448237 0.5216583), wk = 0.0029674 k( 149) = ( 0.0560297 0.0560297 0.5270728), wk = 0.0029674 k( 150) = ( 0.0672356 0.0672356 0.5324874), wk = 0.0029674 k( 151) = ( 0.0784415 0.0784415 0.5379020), wk = 0.0029674 k( 152) = ( 0.0896474 0.0896474 0.5433165), wk = 0.0029674 k( 153) = ( 0.1008534 0.1008534 0.5487311), wk = 0.0029674 k( 154) = ( 0.1120593 0.1120593 0.5541457), wk = 0.0029674 k( 155) = ( 0.1232652 0.1232652 0.5595602), wk = 0.0029674 k( 156) = ( 0.1344712 0.1344712 0.5649748), wk = 0.0029674 k( 157) = ( 0.1456771 0.1456771 0.5703894), wk = 0.0029674 k( 158) = ( 0.1568830 0.1568830 0.5758039), wk = 0.0029674 k( 159) = ( 0.1680889 0.1680889 0.5812185), wk = 0.0029674 k( 160) = ( 0.1792949 0.1792949 0.5866331), wk = 0.0029674 k( 161) = ( 0.1905008 0.1905008 0.5920476), wk = 0.0029674 k( 162) = ( 0.2017067 0.2017067 0.5974622), wk = 0.0029674 k( 163) = ( 0.2129127 0.2129127 0.6028768), wk = 0.0029674 k( 164) = ( 0.2241186 0.2241186 0.6082913), wk = 0.0029674 k( 165) = ( 0.2353245 0.2353245 0.6137059), wk = 0.0029674 k( 166) = ( 0.2465305 0.2465305 0.6191205), wk = 0.0029674 k( 167) = ( 0.2577364 0.2577364 0.6245350), wk = 0.0029674 k( 168) = ( 0.2689423 0.2689423 0.6299496), wk = 0.0029674 k( 169) = ( 0.2801483 0.2801483 0.6353642), wk = 0.0029674 k( 170) = ( 0.2913542 0.2913542 0.6407787), wk = 0.0029674 k( 171) = ( 0.3025601 0.3025601 0.6461933), wk = 0.0029674 k( 172) = ( 0.3137661 0.3137661 0.6516079), wk = 0.0029674 k( 173) = ( 0.3249720 0.3249720 0.6570224), wk = 0.0029674 k( 174) = ( 0.3361779 0.3361779 0.6624370), wk = 0.0029674 k( 175) = ( 0.3473838 0.3473838 0.6678516), wk = 0.0029674 k( 176) = ( 0.3585898 0.3585898 0.6732661), wk = 0.0029674 k( 177) = ( 0.3697957 0.3697957 0.6786807), wk = 0.0029674 k( 178) = ( 0.3810016 0.3810016 0.6840953), wk = 0.0029674 k( 179) = ( 0.3922076 0.3922076 0.6895098), wk = 0.0029674 k( 180) = ( 0.4034135 0.4034135 0.6949244), wk = 0.0029674 k( 181) = ( 0.4146194 0.4146194 0.7003390), wk = 0.0029674 k( 182) = ( 0.4258253 0.4258253 0.7057535), wk = 0.0029674 k( 183) = ( 0.4370313 0.4370313 0.7111681), wk = 0.0029674 k( 184) = ( 0.4482372 0.4482372 0.7165827), wk = 0.0029674 k( 185) = ( 0.4594431 0.4594431 0.7219972), wk = 0.0029674 k( 186) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029674 k( 187) = ( 0.5075370 0.4924630 0.0000000), wk = 0.0029674 k( 188) = ( 0.5150740 0.4849260 0.0000000), wk = 0.0029674 k( 189) = ( 0.5226110 0.4773890 -0.0000000), wk = 0.0029674 k( 190) = ( 0.5301480 0.4698520 0.0000000), wk = 0.0029674 k( 191) = ( 0.5376850 0.4623150 -0.0000000), wk = 0.0029674 k( 192) = ( 0.5452220 0.4547780 -0.0000000), wk = 0.0029674 k( 193) = ( 0.5527590 0.4472410 -0.0000000), wk = 0.0029674 k( 194) = ( 0.5602960 0.4397040 -0.0000000), wk = 0.0029674 k( 195) = ( 0.5678330 0.4321670 -0.0000000), wk = 0.0029674 k( 196) = ( 0.5753700 0.4246300 -0.0000000), wk = 0.0029674 k( 197) = ( 0.5829070 0.4170930 -0.0000000), wk = 0.0029674 k( 198) = ( 0.5904440 0.4095560 0.0000000), wk = 0.0029674 k( 199) = ( 0.5979810 0.4020190 -0.0000000), wk = 0.0029674 k( 200) = ( 0.6055180 0.3944820 0.0000000), wk = 0.0029674 k( 201) = ( 0.6130550 0.3869450 -0.0000000), wk = 0.0029674 k( 202) = ( 0.6205920 0.3794080 -0.0000000), wk = 0.0029674 k( 203) = ( 0.3794080 -0.3794080 -0.0000000), wk = 0.0029674 k( 204) = ( 0.3716650 -0.3716650 -0.0000000), wk = 0.0029674 k( 205) = ( 0.3639220 -0.3639220 -0.0000000), wk = 0.0029674 k( 206) = ( 0.3561790 -0.3561790 -0.0000000), wk = 0.0029674 k( 207) = ( 0.3484359 -0.3484359 -0.0000000), wk = 0.0029674 k( 208) = ( 0.3406929 -0.3406929 -0.0000000), wk = 0.0029674 k( 209) = ( 0.3329499 -0.3329499 -0.0000000), wk = 0.0029674 k( 210) = ( 0.3252069 -0.3252069 -0.0000000), wk = 0.0029674 k( 211) = ( 0.3174639 -0.3174639 -0.0000000), wk = 0.0029674 k( 212) = ( 0.3097208 -0.3097208 0.0000000), wk = 0.0029674 k( 213) = ( 0.3019778 -0.3019778 -0.0000000), wk = 0.0029674 k( 214) = ( 0.2942348 -0.2942348 -0.0000000), wk = 0.0029674 k( 215) = ( 0.2864918 -0.2864918 0.0000000), wk = 0.0029674 k( 216) = ( 0.2787488 -0.2787488 -0.0000000), wk = 0.0029674 k( 217) = ( 0.2710057 -0.2710057 0.0000000), wk = 0.0029674 k( 218) = ( 0.2632627 -0.2632627 -0.0000000), wk = 0.0029674 k( 219) = ( 0.2555197 -0.2555197 0.0000000), wk = 0.0029674 k( 220) = ( 0.2477767 -0.2477767 0.0000000), wk = 0.0029674 k( 221) = ( 0.2400337 -0.2400337 -0.0000000), wk = 0.0029674 k( 222) = ( 0.2322906 -0.2322906 0.0000000), wk = 0.0029674 k( 223) = ( 0.2245476 -0.2245476 0.0000000), wk = 0.0029674 k( 224) = ( 0.2168046 -0.2168046 0.0000000), wk = 0.0029674 k( 225) = ( 0.2090616 -0.2090616 -0.0000000), wk = 0.0029674 k( 226) = ( 0.2013186 -0.2013185 -0.0000000), wk = 0.0029674 k( 227) = ( 0.1935755 -0.1935755 0.0000000), wk = 0.0029674 k( 228) = ( 0.1858325 -0.1858325 -0.0000000), wk = 0.0029674 k( 229) = ( 0.1780895 -0.1780895 0.0000000), wk = 0.0029674 k( 230) = ( 0.1703465 -0.1703465 0.0000000), wk = 0.0029674 k( 231) = ( 0.1626034 -0.1626034 -0.0000000), wk = 0.0029674 k( 232) = ( 0.1548604 -0.1548604 -0.0000000), wk = 0.0029674 k( 233) = ( 0.1471174 -0.1471174 -0.0000000), wk = 0.0029674 k( 234) = ( 0.1393744 -0.1393744 -0.0000000), wk = 0.0029674 k( 235) = ( 0.1316314 -0.1316314 -0.0000000), wk = 0.0029674 k( 236) = ( 0.1238883 -0.1238883 0.0000000), wk = 0.0029674 k( 237) = ( 0.1161453 -0.1161453 0.0000000), wk = 0.0029674 k( 238) = ( 0.1084023 -0.1084023 -0.0000000), wk = 0.0029674 k( 239) = ( 0.1006593 -0.1006593 0.0000000), wk = 0.0029674 k( 240) = ( 0.0929163 -0.0929163 -0.0000000), wk = 0.0029674 k( 241) = ( 0.0851732 -0.0851732 -0.0000000), wk = 0.0029674 k( 242) = ( 0.0774302 -0.0774302 -0.0000000), wk = 0.0029674 k( 243) = ( 0.0696872 -0.0696872 -0.0000000), wk = 0.0029674 k( 244) = ( 0.0619442 -0.0619442 0.0000000), wk = 0.0029674 k( 245) = ( 0.0542011 -0.0542012 -0.0000000), wk = 0.0029674 k( 246) = ( 0.0464581 -0.0464581 -0.0000000), wk = 0.0029674 k( 247) = ( 0.0387151 -0.0387151 0.0000000), wk = 0.0029674 k( 248) = ( 0.0309721 -0.0309721 0.0000000), wk = 0.0029674 k( 249) = ( 0.0232291 -0.0232291 -0.0000000), wk = 0.0029674 k( 250) = ( 0.0154860 -0.0154860 0.0000000), wk = 0.0029674 k( 251) = ( 0.0077430 -0.0077430 0.0000000), wk = 0.0029674 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 254) = ( 0.0125000 0.0000000 -0.0000000), wk = 0.0029674 k( 255) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0029674 k( 256) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0029674 k( 257) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0029674 k( 258) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0029674 k( 259) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0029674 k( 260) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0029674 k( 261) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0029674 k( 262) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0029674 k( 263) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0029674 k( 264) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0029674 k( 265) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0029674 k( 266) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0029674 k( 267) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0029674 k( 268) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0029674 k( 269) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0029674 k( 270) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0029674 k( 271) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0029674 k( 272) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0029674 k( 273) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0029674 k( 274) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0029674 k( 275) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0029674 k( 276) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0029674 k( 277) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0029674 k( 278) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0029674 k( 279) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0029674 k( 280) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0029674 k( 281) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0029674 k( 282) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0029674 k( 283) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0029674 k( 284) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0029674 k( 285) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0029674 k( 286) = ( 0.4125000 0.0000000 -0.0000000), wk = 0.0029674 k( 287) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0029674 k( 288) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0029674 k( 289) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0029674 k( 290) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0029674 k( 291) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0029674 k( 292) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0029674 k( 293) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029674 k( 294) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 295) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0029674 k( 296) = ( 0.4767442 -0.0000000 0.4767442), wk = 0.0029674 k( 297) = ( 0.4651163 0.0000000 0.4651163), wk = 0.0029674 k( 298) = ( 0.4534884 0.0000000 0.4534884), wk = 0.0029674 k( 299) = ( 0.4418605 0.0000000 0.4418605), wk = 0.0029674 k( 300) = ( 0.4302326 0.0000000 0.4302326), wk = 0.0029674 k( 301) = ( 0.4186047 -0.0000000 0.4186047), wk = 0.0029674 k( 302) = ( 0.4069767 0.0000000 0.4069767), wk = 0.0029674 k( 303) = ( 0.3953488 0.0000000 0.3953488), wk = 0.0029674 k( 304) = ( 0.3837209 0.0000000 0.3837209), wk = 0.0029674 k( 305) = ( 0.3720930 0.0000000 0.3720930), wk = 0.0029674 k( 306) = ( 0.3604651 0.0000000 0.3604651), wk = 0.0029674 k( 307) = ( 0.3488372 -0.0000000 0.3488372), wk = 0.0029674 k( 308) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0029674 k( 309) = ( 0.3255814 0.0000000 0.3255814), wk = 0.0029674 k( 310) = ( 0.3139535 0.0000000 0.3139535), wk = 0.0029674 k( 311) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0029674 k( 312) = ( 0.2906977 0.0000000 0.2906977), wk = 0.0029674 k( 313) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0029674 k( 314) = ( 0.2674419 0.0000000 0.2674419), wk = 0.0029674 k( 315) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0029674 k( 316) = ( 0.2441860 0.0000000 0.2441860), wk = 0.0029674 k( 317) = ( 0.2325581 0.0000000 0.2325581), wk = 0.0029674 k( 318) = ( 0.2209302 0.0000000 0.2209302), wk = 0.0029674 k( 319) = ( 0.2093023 0.0000000 0.2093023), wk = 0.0029674 k( 320) = ( 0.1976744 0.0000000 0.1976744), wk = 0.0029674 k( 321) = ( 0.1860465 0.0000000 0.1860465), wk = 0.0029674 k( 322) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0029674 k( 323) = ( 0.1627907 0.0000000 0.1627907), wk = 0.0029674 k( 324) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0029674 k( 325) = ( 0.1395349 0.0000000 0.1395349), wk = 0.0029674 k( 326) = ( 0.1279070 0.0000000 0.1279070), wk = 0.0029674 k( 327) = ( 0.1162791 0.0000000 0.1162791), wk = 0.0029674 k( 328) = ( 0.1046512 0.0000000 0.1046512), wk = 0.0029674 k( 329) = ( 0.0930233 0.0000000 0.0930233), wk = 0.0029674 k( 330) = ( 0.0813954 0.0000000 0.0813954), wk = 0.0029674 k( 331) = ( 0.0697674 0.0000000 0.0697674), wk = 0.0029674 k( 332) = ( 0.0581395 0.0000000 0.0581395), wk = 0.0029674 k( 333) = ( 0.0465116 0.0000000 0.0465116), wk = 0.0029674 k( 334) = ( 0.0348837 0.0000000 0.0348837), wk = 0.0029674 k( 335) = ( 0.0232558 0.0000000 0.0232558), wk = 0.0029674 k( 336) = ( 0.0116279 0.0000000 0.0116279), wk = 0.0029674 k( 337) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 Dense grid: 74147 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32621 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 180, 60) NL pseudopotentials 0.20 Mb ( 90, 142) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1537) G-vector shells 0.01 Mb ( 1506) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 180, 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): 7.542E-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 41.1 secs Computing kpt #: 2 total cpu time spent up to now is 44.0 secs Computing kpt #: 3 total cpu time spent up to now is 46.9 secs Computing kpt #: 4 total cpu time spent up to now is 49.7 secs Computing kpt #: 5 total cpu time spent up to now is 52.6 secs Computing kpt #: 6 total cpu time spent up to now is 55.4 secs Computing kpt #: 7 total cpu time spent up to now is 58.5 secs Computing kpt #: 8 total cpu time spent up to now is 61.6 secs Computing kpt #: 9 total cpu time spent up to now is 64.6 secs Computing kpt #: 10 total cpu time spent up to now is 67.6 secs Computing kpt #: 11 total cpu time spent up to now is 70.6 secs Computing kpt #: 12 total cpu time spent up to now is 73.6 secs Computing kpt #: 13 total cpu time spent up to now is 76.6 secs Computing kpt #: 14 total cpu time spent up to now is 79.6 secs Computing kpt #: 15 total cpu time spent up to now is 82.5 secs Computing kpt #: 16 total cpu time spent up to now is 85.6 secs Computing kpt #: 17 total cpu time spent up to now is 88.6 secs Computing kpt #: 18 total cpu time spent up to now is 91.6 secs Computing kpt #: 19 total cpu time spent up to now is 94.5 secs Computing kpt #: 20 total cpu time spent up to now is 97.6 secs Computing kpt #: 21 total cpu time spent up to now is 100.6 secs Computing kpt #: 22 total cpu time spent up to now is 103.6 secs Computing kpt #: 23 total cpu time spent up to now is 106.5 secs Computing kpt #: 24 total cpu time spent up to now is 109.5 secs Computing kpt #: 25 total cpu time spent up to now is 112.5 secs Computing kpt #: 26 total cpu time spent up to now is 115.5 secs Computing kpt #: 27 total cpu time spent up to now is 118.3 secs Computing kpt #: 28 total cpu time spent up to now is 121.0 secs Computing kpt #: 29 total cpu time spent up to now is 123.9 secs Computing kpt #: 30 total cpu time spent up to now is 126.5 secs Computing kpt #: 31 total cpu time spent up to now is 129.3 secs Computing kpt #: 32 total cpu time spent up to now is 131.9 secs Computing kpt #: 33 total cpu time spent up to now is 134.6 secs Computing kpt #: 34 total cpu time spent up to now is 137.2 secs Computing kpt #: 35 total cpu time spent up to now is 139.6 secs Computing kpt #: 36 total cpu time spent up to now is 142.2 secs Computing kpt #: 37 total cpu time spent up to now is 144.6 secs Computing kpt #: 38 total cpu time spent up to now is 147.0 secs Computing kpt #: 39 total cpu time spent up to now is 149.6 secs Computing kpt #: 40 total cpu time spent up to now is 151.9 secs Computing kpt #: 41 total cpu time spent up to now is 154.3 secs Computing kpt #: 42 total cpu time spent up to now is 156.7 secs Computing kpt #: 43 total cpu time spent up to now is 159.8 secs Computing kpt #: 44 total cpu time spent up to now is 163.3 secs Computing kpt #: 45 total cpu time spent up to now is 166.0 secs Computing kpt #: 46 total cpu time spent up to now is 168.4 secs Computing kpt #: 47 total cpu time spent up to now is 170.8 secs Computing kpt #: 48 total cpu time spent up to now is 173.2 secs Computing kpt #: 49 total cpu time spent up to now is 175.5 secs Computing kpt #: 50 total cpu time spent up to now is 178.0 secs Computing kpt #: 51 total cpu time spent up to now is 180.8 secs Computing kpt #: 52 total cpu time spent up to now is 183.2 secs Computing kpt #: 53 total cpu time spent up to now is 185.5 secs Computing kpt #: 54 total cpu time spent up to now is 187.9 secs Computing kpt #: 55 total cpu time spent up to now is 190.3 secs Computing kpt #: 56 total cpu time spent up to now is 192.6 secs Computing kpt #: 57 total cpu time spent up to now is 195.1 secs Computing kpt #: 58 total cpu time spent up to now is 197.5 secs Computing kpt #: 59 total cpu time spent up to now is 199.8 secs Computing kpt #: 60 total cpu time spent up to now is 202.2 secs Computing kpt #: 61 total cpu time spent up to now is 204.6 secs Computing kpt #: 62 total cpu time spent up to now is 207.3 secs Computing kpt #: 63 total cpu time spent up to now is 209.7 secs Computing kpt #: 64 total cpu time spent up to now is 212.3 secs Computing kpt #: 65 total cpu time spent up to now is 214.7 secs Computing kpt #: 66 total cpu time spent up to now is 217.2 secs Computing kpt #: 67 total cpu time spent up to now is 219.6 secs Computing kpt #: 68 total cpu time spent up to now is 222.1 secs Computing kpt #: 69 total cpu time spent up to now is 224.5 secs Computing kpt #: 70 total cpu time spent up to now is 226.9 secs Computing kpt #: 71 total cpu time spent up to now is 229.3 secs Computing kpt #: 72 total cpu time spent up to now is 231.7 secs Computing kpt #: 73 total cpu time spent up to now is 234.1 secs Computing kpt #: 74 total cpu time spent up to now is 236.8 secs Computing kpt #: 75 total cpu time spent up to now is 239.2 secs Computing kpt #: 76 total cpu time spent up to now is 241.9 secs Computing kpt #: 77 total cpu time spent up to now is 244.3 secs Computing kpt #: 78 total cpu time spent up to now is 246.7 secs Computing kpt #: 79 total cpu time spent up to now is 249.2 secs Computing kpt #: 80 total cpu time spent up to now is 251.7 secs Computing kpt #: 81 total cpu time spent up to now is 254.3 secs Computing kpt #: 82 total cpu time spent up to now is 256.7 secs Computing kpt #: 83 total cpu time spent up to now is 259.1 secs Computing kpt #: 84 total cpu time spent up to now is 261.5 secs Computing kpt #: 85 total cpu time spent up to now is 264.0 secs Computing kpt #: 86 total cpu time spent up to now is 266.4 secs Computing kpt #: 87 total cpu time spent up to now is 268.8 secs Computing kpt #: 88 total cpu time spent up to now is 271.0 secs Computing kpt #: 89 total cpu time spent up to now is 273.3 secs Computing kpt #: 90 total cpu time spent up to now is 275.8 secs Computing kpt #: 91 total cpu time spent up to now is 278.1 secs Computing kpt #: 92 total cpu time spent up to now is 280.4 secs Computing kpt #: 93 total cpu time spent up to now is 282.6 secs Computing kpt #: 94 total cpu time spent up to now is 285.0 secs Computing kpt #: 95 total cpu time spent up to now is 287.4 secs Computing kpt #: 96 total cpu time spent up to now is 289.6 secs Computing kpt #: 97 total cpu time spent up to now is 291.8 secs Computing kpt #: 98 total cpu time spent up to now is 294.1 secs Computing kpt #: 99 total cpu time spent up to now is 296.5 secs Computing kpt #: 100 total cpu time spent up to now is 298.9 secs Computing kpt #: 101 total cpu time spent up to now is 301.0 secs Computing kpt #: 102 total cpu time spent up to now is 303.2 secs Computing kpt #: 103 total cpu time spent up to now is 305.4 secs Computing kpt #: 104 total cpu time spent up to now is 307.6 secs Computing kpt #: 105 total cpu time spent up to now is 310.0 secs Computing kpt #: 106 total cpu time spent up to now is 312.2 secs Computing kpt #: 107 total cpu time spent up to now is 314.4 secs Computing kpt #: 108 total cpu time spent up to now is 316.6 secs Computing kpt #: 109 total cpu time spent up to now is 318.7 secs Computing kpt #: 110 total cpu time spent up to now is 320.8 secs Computing kpt #: 111 total cpu time spent up to now is 322.9 secs Computing kpt #: 112 total cpu time spent up to now is 325.2 secs Computing kpt #: 113 total cpu time spent up to now is 327.3 secs Computing kpt #: 114 total cpu time spent up to now is 329.5 secs Computing kpt #: 115 total cpu time spent up to now is 331.7 secs Computing kpt #: 116 total cpu time spent up to now is 334.0 secs Computing kpt #: 117 total cpu time spent up to now is 336.3 secs Computing kpt #: 118 total cpu time spent up to now is 338.7 secs Computing kpt #: 119 total cpu time spent up to now is 340.9 secs Computing kpt #: 120 total cpu time spent up to now is 343.2 secs Computing kpt #: 121 total cpu time spent up to now is 345.5 secs Computing kpt #: 122 total cpu time spent up to now is 347.9 secs Computing kpt #: 123 total cpu time spent up to now is 351.1 secs Computing kpt #: 124 total cpu time spent up to now is 353.6 secs Computing kpt #: 125 total cpu time spent up to now is 355.9 secs Computing kpt #: 126 total cpu time spent up to now is 358.4 secs Computing kpt #: 127 total cpu time spent up to now is 360.9 secs Computing kpt #: 128 total cpu time spent up to now is 363.4 secs Computing kpt #: 129 total cpu time spent up to now is 365.9 secs Computing kpt #: 130 total cpu time spent up to now is 368.4 secs Computing kpt #: 131 total cpu time spent up to now is 371.0 secs Computing kpt #: 132 total cpu time spent up to now is 373.7 secs Computing kpt #: 133 total cpu time spent up to now is 376.4 secs Computing kpt #: 134 total cpu time spent up to now is 379.0 secs Computing kpt #: 135 total cpu time spent up to now is 381.8 secs Computing kpt #: 136 total cpu time spent up to now is 384.7 secs Computing kpt #: 137 total cpu time spent up to now is 387.5 secs Computing kpt #: 138 total cpu time spent up to now is 390.4 secs Computing kpt #: 139 total cpu time spent up to now is 393.2 secs Computing kpt #: 140 total cpu time spent up to now is 396.1 secs Computing kpt #: 141 total cpu time spent up to now is 399.1 secs Computing kpt #: 142 total cpu time spent up to now is 402.0 secs Computing kpt #: 143 total cpu time spent up to now is 404.9 secs Computing kpt #: 144 total cpu time spent up to now is 407.6 secs Computing kpt #: 145 total cpu time spent up to now is 410.6 secs Computing kpt #: 146 total cpu time spent up to now is 413.5 secs Computing kpt #: 147 total cpu time spent up to now is 416.4 secs Computing kpt #: 148 total cpu time spent up to now is 419.4 secs Computing kpt #: 149 total cpu time spent up to now is 422.4 secs Computing kpt #: 150 total cpu time spent up to now is 425.3 secs Computing kpt #: 151 total cpu time spent up to now is 428.2 secs Computing kpt #: 152 total cpu time spent up to now is 431.1 secs Computing kpt #: 153 total cpu time spent up to now is 434.0 secs Computing kpt #: 154 total cpu time spent up to now is 436.9 secs Computing kpt #: 155 total cpu time spent up to now is 439.8 secs Computing kpt #: 156 total cpu time spent up to now is 442.7 secs Computing kpt #: 157 total cpu time spent up to now is 445.6 secs Computing kpt #: 158 total cpu time spent up to now is 448.5 secs Computing kpt #: 159 total cpu time spent up to now is 451.4 secs Computing kpt #: 160 total cpu time spent up to now is 454.3 secs Computing kpt #: 161 total cpu time spent up to now is 457.3 secs Computing kpt #: 162 total cpu time spent up to now is 461.5 secs Computing kpt #: 163 total cpu time spent up to now is 465.4 secs Computing kpt #: 164 total cpu time spent up to now is 468.5 secs Computing kpt #: 165 total cpu time spent up to now is 471.5 secs Computing kpt #: 166 total cpu time spent up to now is 474.4 secs Computing kpt #: 167 total cpu time spent up to now is 477.2 secs Computing kpt #: 168 total cpu time spent up to now is 479.9 secs Computing kpt #: 169 total cpu time spent up to now is 483.2 secs Computing kpt #: 170 total cpu time spent up to now is 485.9 secs Computing kpt #: 171 total cpu time spent up to now is 488.7 secs Computing kpt #: 172 total cpu time spent up to now is 491.5 secs Computing kpt #: 173 total cpu time spent up to now is 494.2 secs Computing kpt #: 174 total cpu time spent up to now is 496.8 secs Computing kpt #: 175 total cpu time spent up to now is 499.6 secs Computing kpt #: 176 total cpu time spent up to now is 502.3 secs Computing kpt #: 177 total cpu time spent up to now is 504.9 secs Computing kpt #: 178 total cpu time spent up to now is 507.5 secs Computing kpt #: 179 total cpu time spent up to now is 510.1 secs Computing kpt #: 180 total cpu time spent up to now is 512.7 secs Computing kpt #: 181 total cpu time spent up to now is 515.1 secs Computing kpt #: 182 total cpu time spent up to now is 517.6 secs Computing kpt #: 183 total cpu time spent up to now is 520.0 secs Computing kpt #: 184 total cpu time spent up to now is 522.5 secs Computing kpt #: 185 total cpu time spent up to now is 525.0 secs Computing kpt #: 186 total cpu time spent up to now is 527.4 secs Computing kpt #: 187 total cpu time spent up to now is 529.7 secs Computing kpt #: 188 total cpu time spent up to now is 532.3 secs Computing kpt #: 189 total cpu time spent up to now is 534.6 secs Computing kpt #: 190 total cpu time spent up to now is 537.2 secs Computing kpt #: 191 total cpu time spent up to now is 539.5 secs Computing kpt #: 192 total cpu time spent up to now is 542.1 secs Computing kpt #: 193 total cpu time spent up to now is 544.6 secs Computing kpt #: 194 total cpu time spent up to now is 546.9 secs Computing kpt #: 195 total cpu time spent up to now is 549.3 secs Computing kpt #: 196 total cpu time spent up to now is 551.6 secs Computing kpt #: 197 total cpu time spent up to now is 554.1 secs Computing kpt #: 198 total cpu time spent up to now is 556.4 secs Computing kpt #: 199 total cpu time spent up to now is 558.6 secs Computing kpt #: 200 total cpu time spent up to now is 560.8 secs Computing kpt #: 201 total cpu time spent up to now is 563.0 secs Computing kpt #: 202 total cpu time spent up to now is 565.6 secs Computing kpt #: 203 total cpu time spent up to now is 568.0 secs Computing kpt #: 204 total cpu time spent up to now is 570.3 secs Computing kpt #: 205 total cpu time spent up to now is 572.5 secs Computing kpt #: 206 total cpu time spent up to now is 574.7 secs Computing kpt #: 207 total cpu time spent up to now is 577.3 secs Computing kpt #: 208 total cpu time spent up to now is 579.5 secs Computing kpt #: 209 total cpu time spent up to now is 582.2 secs Computing kpt #: 210 total cpu time spent up to now is 584.3 secs Computing kpt #: 211 total cpu time spent up to now is 586.6 secs Computing kpt #: 212 total cpu time spent up to now is 589.0 secs Computing kpt #: 213 total cpu time spent up to now is 591.2 secs Computing kpt #: 214 total cpu time spent up to now is 593.4 secs Computing kpt #: 215 total cpu time spent up to now is 595.7 secs Computing kpt #: 216 total cpu time spent up to now is 598.0 secs Computing kpt #: 217 total cpu time spent up to now is 600.2 secs Computing kpt #: 218 total cpu time spent up to now is 602.4 secs Computing kpt #: 219 total cpu time spent up to now is 604.8 secs Computing kpt #: 220 total cpu time spent up to now is 607.1 secs Computing kpt #: 221 total cpu time spent up to now is 609.7 secs Computing kpt #: 222 total cpu time spent up to now is 612.0 secs Computing kpt #: 223 total cpu time spent up to now is 614.4 secs Computing kpt #: 224 total cpu time spent up to now is 616.7 secs Computing kpt #: 225 total cpu time spent up to now is 619.0 secs Computing kpt #: 226 total cpu time spent up to now is 621.4 secs Computing kpt #: 227 total cpu time spent up to now is 623.9 secs Computing kpt #: 228 total cpu time spent up to now is 626.3 secs Computing kpt #: 229 total cpu time spent up to now is 628.7 secs Computing kpt #: 230 total cpu time spent up to now is 631.2 secs Computing kpt #: 231 total cpu time spent up to now is 633.8 secs Computing kpt #: 232 total cpu time spent up to now is 636.4 secs Computing kpt #: 233 total cpu time spent up to now is 639.0 secs Computing kpt #: 234 total cpu time spent up to now is 641.6 secs Computing kpt #: 235 total cpu time spent up to now is 644.3 secs Computing kpt #: 236 total cpu time spent up to now is 646.9 secs Computing kpt #: 237 total cpu time spent up to now is 649.6 secs Computing kpt #: 238 total cpu time spent up to now is 652.2 secs Computing kpt #: 239 total cpu time spent up to now is 654.9 secs Computing kpt #: 240 total cpu time spent up to now is 657.6 secs Computing kpt #: 241 total cpu time spent up to now is 660.3 secs Computing kpt #: 242 total cpu time spent up to now is 663.1 secs Computing kpt #: 243 total cpu time spent up to now is 665.9 secs Computing kpt #: 244 total cpu time spent up to now is 668.6 secs Computing kpt #: 245 total cpu time spent up to now is 671.4 secs Computing kpt #: 246 total cpu time spent up to now is 674.3 secs Computing kpt #: 247 total cpu time spent up to now is 677.1 secs Computing kpt #: 248 total cpu time spent up to now is 679.9 secs Computing kpt #: 249 total cpu time spent up to now is 682.7 secs Computing kpt #: 250 total cpu time spent up to now is 685.4 secs Computing kpt #: 251 total cpu time spent up to now is 688.2 secs Computing kpt #: 252 total cpu time spent up to now is 690.9 secs Computing kpt #: 253 total cpu time spent up to now is 693.6 secs Computing kpt #: 254 total cpu time spent up to now is 696.4 secs Computing kpt #: 255 total cpu time spent up to now is 699.3 secs Computing kpt #: 256 total cpu time spent up to now is 702.1 secs Computing kpt #: 257 total cpu time spent up to now is 704.9 secs Computing kpt #: 258 total cpu time spent up to now is 707.7 secs Computing kpt #: 259 total cpu time spent up to now is 710.6 secs Computing kpt #: 260 total cpu time spent up to now is 713.4 secs Computing kpt #: 261 total cpu time spent up to now is 716.2 secs Computing kpt #: 262 total cpu time spent up to now is 719.0 secs Computing kpt #: 263 total cpu time spent up to now is 721.8 secs Computing kpt #: 264 total cpu time spent up to now is 724.6 secs Computing kpt #: 265 total cpu time spent up to now is 727.4 secs Computing kpt #: 266 total cpu time spent up to now is 730.2 secs Computing kpt #: 267 total cpu time spent up to now is 733.0 secs Computing kpt #: 268 total cpu time spent up to now is 735.7 secs Computing kpt #: 269 total cpu time spent up to now is 738.4 secs Computing kpt #: 270 total cpu time spent up to now is 741.2 secs Computing kpt #: 271 total cpu time spent up to now is 743.8 secs Computing kpt #: 272 total cpu time spent up to now is 746.6 secs Computing kpt #: 273 total cpu time spent up to now is 749.2 secs Computing kpt #: 274 total cpu time spent up to now is 751.9 secs Computing kpt #: 275 total cpu time spent up to now is 754.5 secs Computing kpt #: 276 total cpu time spent up to now is 757.3 secs Computing kpt #: 277 total cpu time spent up to now is 761.1 secs Computing kpt #: 278 total cpu time spent up to now is 764.7 secs Computing kpt #: 279 total cpu time spent up to now is 767.3 secs Computing kpt #: 280 total cpu time spent up to now is 770.1 secs Computing kpt #: 281 total cpu time spent up to now is 772.7 secs Computing kpt #: 282 total cpu time spent up to now is 775.6 secs Computing kpt #: 283 total cpu time spent up to now is 778.5 secs Computing kpt #: 284 total cpu time spent up to now is 781.0 secs Computing kpt #: 285 total cpu time spent up to now is 783.8 secs Computing kpt #: 286 total cpu time spent up to now is 786.6 secs Computing kpt #: 287 total cpu time spent up to now is 789.1 secs Computing kpt #: 288 total cpu time spent up to now is 791.5 secs Computing kpt #: 289 total cpu time spent up to now is 794.2 secs Computing kpt #: 290 total cpu time spent up to now is 796.9 secs Computing kpt #: 291 total cpu time spent up to now is 799.3 secs Computing kpt #: 292 total cpu time spent up to now is 801.7 secs Computing kpt #: 293 total cpu time spent up to now is 804.3 secs Computing kpt #: 294 total cpu time spent up to now is 807.1 secs Computing kpt #: 295 total cpu time spent up to now is 809.4 secs Computing kpt #: 296 total cpu time spent up to now is 811.7 secs Computing kpt #: 297 total cpu time spent up to now is 814.0 secs Computing kpt #: 298 total cpu time spent up to now is 816.3 secs Computing kpt #: 299 total cpu time spent up to now is 818.7 secs Computing kpt #: 300 total cpu time spent up to now is 820.9 secs Computing kpt #: 301 total cpu time spent up to now is 823.3 secs Computing kpt #: 302 total cpu time spent up to now is 825.8 secs Computing kpt #: 303 total cpu time spent up to now is 828.0 secs Computing kpt #: 304 total cpu time spent up to now is 830.5 secs Computing kpt #: 305 total cpu time spent up to now is 832.9 secs Computing kpt #: 306 total cpu time spent up to now is 835.8 secs Computing kpt #: 307 total cpu time spent up to now is 838.2 secs Computing kpt #: 308 total cpu time spent up to now is 840.7 secs Computing kpt #: 309 total cpu time spent up to now is 843.2 secs Computing kpt #: 310 total cpu time spent up to now is 845.8 secs Computing kpt #: 311 total cpu time spent up to now is 848.4 secs Computing kpt #: 312 total cpu time spent up to now is 851.0 secs Computing kpt #: 313 total cpu time spent up to now is 853.7 secs Computing kpt #: 314 total cpu time spent up to now is 856.3 secs Computing kpt #: 315 total cpu time spent up to now is 859.0 secs Computing kpt #: 316 total cpu time spent up to now is 861.7 secs Computing kpt #: 317 total cpu time spent up to now is 864.4 secs Computing kpt #: 318 total cpu time spent up to now is 867.2 secs Computing kpt #: 319 total cpu time spent up to now is 869.9 secs Computing kpt #: 320 total cpu time spent up to now is 873.0 secs Computing kpt #: 321 total cpu time spent up to now is 875.7 secs Computing kpt #: 322 total cpu time spent up to now is 878.4 secs Computing kpt #: 323 total cpu time spent up to now is 881.1 secs Computing kpt #: 324 total cpu time spent up to now is 884.0 secs Computing kpt #: 325 total cpu time spent up to now is 886.8 secs Computing kpt #: 326 total cpu time spent up to now is 889.6 secs Computing kpt #: 327 total cpu time spent up to now is 892.4 secs Computing kpt #: 328 total cpu time spent up to now is 895.2 secs Computing kpt #: 329 total cpu time spent up to now is 898.2 secs Computing kpt #: 330 total cpu time spent up to now is 900.9 secs Computing kpt #: 331 total cpu time spent up to now is 903.8 secs Computing kpt #: 332 total cpu time spent up to now is 906.6 secs Computing kpt #: 333 total cpu time spent up to now is 909.7 secs Computing kpt #: 334 total cpu time spent up to now is 912.4 secs Computing kpt #: 335 total cpu time spent up to now is 915.2 secs Computing kpt #: 336 total cpu time spent up to now is 918.0 secs Computing kpt #: 337 total cpu time spent up to now is 920.8 secs ethr = 2.00E-11, avg # of iterations = 35.7 total cpu time spent up to now is 920.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4059 PWs) bands (ev): -16.3775 -16.3775 -15.0019 -15.0019 -14.3782 -14.3782 -13.7891 -13.7891 -13.7047 -13.7047 -13.3204 -13.3204 -5.2488 -5.2488 -4.5255 -4.5255 -3.4681 -3.4681 -2.7677 -2.7677 -2.7154 -2.7154 -1.1689 -1.1689 -0.2669 -0.2669 0.0909 0.0909 0.3209 0.3209 1.1625 1.1625 1.4989 1.4989 1.9101 1.9101 2.2211 2.2211 2.3237 2.3237 2.4362 2.4362 2.8029 2.8029 2.9699 2.9699 3.1948 3.1948 3.3443 3.3443 8.2295 8.2295 9.9284 9.9284 10.4997 10.4997 10.9150 10.9150 12.2198 12.2198 k = 0.0109 0.0075-0.0036 ( 4063 PWs) bands (ev): -16.3770 -16.3769 -15.0022 -15.0016 -14.3784 -14.3777 -13.7900 -13.7898 -13.7050 -13.7042 -13.3214 -13.3204 -5.2488 -5.2482 -4.5282 -4.5279 -3.4672 -3.4666 -2.7727 -2.7591 -2.7191 -2.7084 -1.1750 -1.1637 -0.2698 -0.2673 0.0737 0.1055 0.3149 0.3286 1.1547 1.1705 1.4824 1.5156 1.8980 1.9032 2.2218 2.2346 2.3245 2.3285 2.4364 2.4373 2.8020 2.8028 2.9702 2.9709 3.1944 3.1947 3.3438 3.3441 8.2164 8.2420 9.9160 9.9395 10.4865 10.5107 10.9024 10.9329 12.2106 12.2302 k = 0.0217 0.0151-0.0073 ( 4065 PWs) bands (ev): -16.3753 -16.3750 -15.0023 -15.0012 -14.3783 -14.3769 -13.7924 -13.7921 -13.7051 -13.7035 -13.3234 -13.3214 -5.2483 -5.2471 -4.5360 -4.5354 -3.4641 -3.4627 -2.7742 -2.7479 -2.7186 -2.6981 -1.1820 -1.1593 -0.2761 -0.2707 0.0555 0.1163 0.3114 0.3370 1.1472 1.1783 1.4668 1.5321 1.8706 1.8794 2.2357 2.2556 2.3303 2.3402 2.4382 2.4403 2.7999 2.8015 2.9717 2.9732 3.1936 3.1942 3.3427 3.3431 8.2028 8.2538 9.9024 9.9494 10.4730 10.5177 10.8968 10.9550 12.2029 12.2418 k = 0.0326 0.0226-0.0109 ( 4065 PWs) bands (ev): -16.3725 -16.3720 -15.0024 -15.0007 -14.3779 -14.3758 -13.7963 -13.7959 -13.7049 -13.7026 -13.3264 -13.3233 -5.2473 -5.2455 -4.5484 -4.5475 -3.4587 -3.4567 -2.7726 -2.7376 -2.7107 -2.6841 -1.1897 -1.1559 -0.2864 -0.2770 0.0375 0.1224 0.3110 0.3453 1.1404 1.1851 1.4526 1.5475 1.8325 1.8463 2.2559 2.2761 2.3410 2.3589 2.4429 2.4477 2.7968 2.7992 2.9745 2.9766 3.1923 3.1933 3.3409 3.3416 8.1888 8.2650 9.8875 9.9580 10.4607 10.5192 10.8993 10.9798 12.1966 12.2544 k = 0.0435 0.0302-0.0146 ( 4064 PWs) bands (ev): -16.3685 -16.3678 -15.0024 -15.0001 -14.3773 -14.3745 -13.8016 -13.8011 -13.7046 -13.7015 -13.3302 -13.3261 -5.2462 -5.2437 -4.5651 -4.5639 -3.4512 -3.4485 -2.7686 -2.7311 -2.6927 -2.6663 -1.1980 -1.1533 -0.3008 -0.2860 0.0209 0.1237 0.3137 0.3527 1.1341 1.1901 1.4403 1.5608 1.7873 1.8116 2.2760 2.2927 2.3550 2.3780 2.4528 2.4651 2.7927 2.7959 2.9783 2.9811 3.1906 3.1920 3.3385 3.3394 8.1743 8.2753 9.8713 9.9656 10.4507 10.5146 10.9101 11.0067 12.1918 12.2678 k = 0.0543 0.0377-0.0182 ( 4067 PWs) bands (ev): -16.3633 -16.3625 -15.0022 -14.9994 -14.3764 -14.3729 -13.8082 -13.8078 -13.7042 -13.7005 -13.3350 -13.3299 -5.2451 -5.2418 -4.5853 -4.5836 -3.4416 -3.4382 -2.7626 -2.7260 -2.6673 -2.6446 -1.2070 -1.1515 -0.3196 -0.2976 0.0063 0.1209 0.3184 0.3588 1.1282 1.1922 1.4301 1.5704 1.7385 1.7801 2.2935 2.3068 2.3681 2.3894 2.4712 2.4965 2.7879 2.7918 2.9832 2.9866 3.1885 3.1902 3.3356 3.3367 8.1596 8.2848 9.8540 9.9722 10.4436 10.5045 10.9287 11.0350 12.1886 12.2818 k = 0.0652 0.0452-0.0219 ( 4072 PWs) bands (ev): -16.3569 -16.3560 -15.0020 -14.9986 -14.3753 -14.3711 -13.8161 -13.8157 -13.7038 -13.6994 -13.3407 -13.3346 -5.2444 -5.2402 -4.6080 -4.6059 -3.4301 -3.4261 -2.7549 -2.7203 -2.6372 -2.6190 -1.2164 -1.1505 -0.3426 -0.3120 -0.0059 0.1151 0.3240 0.3632 1.1225 1.1905 1.4216 1.5738 1.6897 1.7561 2.3087 2.3199 2.3763 2.3938 2.4992 2.5380 2.7825 2.7872 2.9889 2.9929 3.1859 3.1879 3.3323 3.3337 8.1446 8.2934 9.8355 9.9780 10.4396 10.4903 10.9538 11.0643 12.1870 12.2962 k = 0.0761 0.0528-0.0255 ( 4072 PWs) bands (ev): -16.3494 -16.3483 -15.0016 -14.9978 -14.3740 -14.3692 -13.8252 -13.8248 -13.7034 -13.6984 -13.3471 -13.3401 -5.2446 -5.2395 -4.6323 -4.6297 -3.4168 -3.4123 -2.7459 -2.7136 -2.6033 -2.5898 -1.2262 -1.1501 -0.3694 -0.3289 -0.0156 0.1073 0.3293 0.3656 1.1166 1.1843 1.4133 1.5672 1.6463 1.7427 2.3229 2.3331 2.3799 2.3947 2.5335 2.5834 2.7771 2.7826 2.9952 2.9999 3.1828 3.1852 3.3288 3.3304 8.1294 8.3011 9.8162 9.9832 10.4373 10.4749 10.9839 11.0943 12.1869 12.3109 k = 0.0870 0.0603-0.0291 ( 4078 PWs) bands (ev): -16.3407 -16.3395 -15.0012 -14.9968 -14.3726 -14.3672 -13.8354 -13.8352 -13.7030 -13.6974 -13.3544 -13.3464 -5.2464 -5.2402 -4.6571 -4.6539 -3.4020 -3.3970 -2.7356 -2.7055 -2.5664 -2.5574 -1.2362 -1.1502 -0.3995 -0.3482 -0.0232 0.0983 0.3334 0.3658 1.1096 1.1735 1.4029 1.5444 1.6186 1.7400 2.3361 2.3462 2.3814 2.3946 2.5698 2.6283 2.7731 2.7789 3.0020 3.0073 3.1792 3.1820 3.3253 3.3272 8.1142 8.3078 9.7961 9.9881 10.4313 10.4648 11.0176 11.1247 12.1883 12.3257 k = 0.0978 0.0679-0.0328 ( 4080 PWs) bands (ev): -16.3309 -16.3295 -15.0007 -14.9958 -14.3712 -14.3652 -13.8467 -13.8466 -13.7027 -13.6965 -13.3623 -13.3535 -5.2505 -5.2431 -4.6811 -4.6771 -3.3858 -3.3803 -2.7242 -2.6960 -2.5270 -2.5221 -1.2463 -1.1508 -0.4323 -0.3699 -0.0290 0.0886 0.3358 0.3639 1.1001 1.1590 1.3885 1.5074 1.6110 1.7453 2.3466 2.3583 2.3839 2.3960 2.6041 2.6675 2.7735 2.7785 3.0090 3.0150 3.1751 3.1784 3.3222 3.3244 8.0990 8.3134 9.7757 9.9930 10.4159 10.4667 11.0539 11.1555 12.1912 12.3402 k = 0.1087 0.0754-0.0364 ( 4077 PWs) bands (ev): -16.3199 -16.3184 -15.0000 -14.9947 -14.3697 -14.3632 -13.8590 -13.8589 -13.7024 -13.6957 -13.3709 -13.3612 -5.2578 -5.2490 -4.7029 -4.6980 -3.3685 -3.3625 -2.7115 -2.6851 -2.4857 -2.4846 -1.2564 -1.1517 -0.4670 -0.3937 -0.0337 0.0785 0.3361 0.3598 1.0857 1.1422 1.3695 1.4676 1.6167 1.7552 2.3518 2.3657 2.3917 2.4023 2.6319 2.6924 2.7803 2.7896 3.0160 3.0227 3.1705 3.1743 3.3198 3.3223 8.0838 8.3180 9.7552 9.9981 10.3956 10.4765 11.0920 11.1866 12.1955 12.3545 k = 0.1196 0.0829-0.0401 ( 4077 PWs) bands (ev): -16.3079 -16.3062 -14.9993 -14.9935 -14.3684 -14.3613 -13.8724 -13.8722 -13.7023 -13.6950 -13.3801 -13.3696 -5.2690 -5.2588 -4.7212 -4.7154 -3.3501 -3.3438 -2.6976 -2.6728 -2.4452 -2.4429 -1.2663 -1.1526 -0.5031 -0.4193 -0.0377 0.0680 0.3345 0.3539 1.0638 1.1246 1.3470 1.4321 1.6311 1.7674 2.3515 2.3670 2.4052 2.4153 2.6493 2.6989 2.7935 2.8188 3.0227 3.0304 3.1654 3.1697 3.3185 3.3214 8.0688 8.3216 9.7350 10.0036 10.3742 10.4906 11.1312 11.2180 12.2011 12.3683 k = 0.1304 0.0905-0.0437 ( 4079 PWs) bands (ev): -16.2946 -16.2929 -14.9984 -14.9923 -14.3672 -14.3597 -13.8866 -13.8862 -13.7022 -13.6944 -13.3899 -13.3786 -5.2849 -5.2732 -4.7349 -4.7281 -3.3311 -3.3245 -2.6824 -2.6590 -2.4044 -2.3992 -1.2760 -1.1536 -0.5401 -0.4464 -0.0416 0.0569 0.3311 0.3463 1.0342 1.1054 1.3232 1.4037 1.6512 1.7803 2.3480 2.3651 2.4218 2.4328 2.6555 2.6949 2.8148 2.8557 3.0290 3.0380 3.1599 3.1648 3.3189 3.3223 8.0540 8.3240 9.7153 10.0097 10.3529 10.5078 11.1712 11.2495 12.2079 12.3815 k = 0.1413 0.0980-0.0474 ( 4083 PWs) bands (ev): -16.2803 -16.2784 -14.9975 -14.9910 -14.3663 -14.3584 -13.9016 -13.9011 -13.7021 -13.6938 -13.4001 -13.3880 -5.3058 -5.2929 -4.7430 -4.7355 -3.3115 -3.3048 -2.6659 -2.6436 -2.3626 -2.3548 -1.2853 -1.1544 -0.5775 -0.4746 -0.0458 0.0450 0.3262 0.3375 0.9982 1.0817 1.3019 1.3826 1.6749 1.7931 2.3431 2.3621 2.4401 2.4521 2.6534 2.6866 2.8411 2.8927 3.0345 3.0454 3.1543 3.1599 3.3215 3.3257 8.0396 8.3255 9.6964 10.0164 10.3327 10.5274 11.2114 11.2812 12.2157 12.3941 k = 0.1522 0.1056-0.0510 ( 4084 PWs) bands (ev): -16.2649 -16.2629 -14.9964 -14.9896 -14.3658 -14.3576 -13.9172 -13.9165 -13.7022 -13.6933 -13.4107 -13.3979 -5.3319 -5.3179 -4.7452 -4.7370 -3.2918 -3.2849 -2.6480 -2.6268 -2.3203 -2.3103 -1.2941 -1.1549 -0.6148 -0.5037 -0.0510 0.0320 0.3204 0.3282 0.9577 1.0517 1.2860 1.3673 1.7005 1.8049 2.3375 2.3587 2.4596 2.4715 2.6466 2.6771 2.8683 2.9261 3.0390 3.0528 3.1492 3.1555 3.3269 3.3322 8.0255 8.3259 9.6786 10.0236 10.3140 10.5490 11.2516 11.3131 12.2246 12.4059 k = 0.1630 0.1131-0.0546 ( 4082 PWs) bands (ev): -16.2484 -16.2463 -14.9953 -14.9882 -14.3659 -14.3574 -13.9333 -13.9325 -13.7023 -13.6928 -13.4215 -13.4081 -5.3627 -5.3478 -4.7415 -4.7328 -3.2720 -3.2651 -2.6288 -2.6085 -2.2778 -2.2661 -1.3023 -1.1549 -0.6516 -0.5332 -0.0576 0.0177 0.3139 0.3190 0.9140 1.0153 1.2765 1.3564 1.7266 1.8151 2.3318 2.3552 2.4797 2.4895 2.6376 2.6684 2.8935 2.9531 3.0421 3.0600 3.1456 3.1528 3.3354 3.3423 8.0119 8.3253 9.6620 10.0313 10.2972 10.5720 11.2917 11.3452 12.2343 12.4171 k = 0.1739 0.1206-0.0583 ( 4086 PWs) bands (ev): -16.2309 -16.2286 -14.9941 -14.9867 -14.3668 -14.3581 -13.9496 -13.9487 -13.7024 -13.6924 -13.4326 -13.4187 -5.3977 -5.3821 -4.7323 -4.7232 -3.2525 -3.2456 -2.6082 -2.5887 -2.2354 -2.2224 -1.3098 -1.1543 -0.6875 -0.5627 -0.0662 0.0017 0.3068 0.3114 0.8684 0.9738 1.2725 1.3487 1.7518 1.8233 2.3262 2.3518 2.4995 2.5042 2.6283 2.6630 2.9148 2.9722 3.0433 3.0652 3.1448 3.1542 3.3473 3.3565 7.9989 8.3237 9.6469 10.0392 10.2829 10.5962 11.3314 11.3774 12.2448 12.4274 k = 0.1848 0.1282-0.0619 ( 4086 PWs) bands (ev): -16.2122 -16.2099 -14.9928 -14.9852 -14.3686 -14.3598 -13.9661 -13.9651 -13.7027 -13.6921 -13.4439 -13.4294 -5.4361 -5.4200 -4.7180 -4.7087 -3.2334 -3.2267 -2.5865 -2.5676 -2.1936 -2.1795 -1.3164 -1.1530 -0.7222 -0.5919 -0.0772 -0.0160 0.2995 0.3059 0.8214 0.9291 1.2725 1.3432 1.7752 1.8292 2.3211 2.3484 2.5107 2.5200 2.6204 2.6636 2.9311 2.9839 3.0418 3.0660 3.1472 3.1621 3.3626 3.3751 7.9864 8.3213 9.6333 10.0469 10.2715 10.6213 11.3706 11.4097 12.2559 12.4370 k = 0.1957 0.1357-0.0656 ( 4089 PWs) bands (ev): -16.1926 -16.1901 -14.9915 -14.9836 -14.3715 -14.3628 -13.9823 -13.9814 -13.7030 -13.6919 -13.4552 -13.4402 -5.4773 -5.4608 -4.6992 -4.6899 -3.2151 -3.2085 -2.5636 -2.5453 -2.1525 -2.1379 -1.3222 -1.1508 -0.7553 -0.6203 -0.0908 -0.0355 0.2932 0.3022 0.7738 0.8825 1.2751 1.3394 1.7956 1.8325 2.3165 2.3447 2.5111 2.5351 2.6167 2.6718 2.9424 2.9899 3.0373 3.0618 3.1531 3.1761 3.3813 3.3979 7.9747 8.3180 9.6213 10.0539 10.2635 10.6468 11.4092 11.4421 12.2675 12.4457 k = 0.2065 0.1433-0.0692 ( 4084 PWs) bands (ev): -16.1719 -16.1693 -14.9901 -14.9821 -14.3759 -14.3673 -13.9981 -13.9973 -13.7034 -13.6917 -13.4665 -13.4511 -5.5204 -5.5037 -4.6766 -4.6673 -3.1977 -3.1912 -2.5399 -2.5221 -2.1124 -2.0976 -1.3269 -1.1477 -0.7864 -0.6477 -0.1073 -0.0566 0.2889 0.3002 0.7260 0.8349 1.2793 1.3367 1.8116 1.8335 2.3124 2.3403 2.5046 2.5427 2.6217 2.6871 2.9490 2.9923 3.0299 3.0539 3.1624 3.1934 3.4031 3.4246 7.9636 8.3140 9.6111 10.0595 10.2595 10.6726 11.4472 11.4746 12.2794 12.4536 k = 0.2174 0.1508-0.0729 ( 4080 PWs) bands (ev): -16.1502 -16.1476 -14.9888 -14.9806 -14.3819 -14.3736 -14.0132 -14.0125 -13.7040 -13.6918 -13.4777 -13.4619 -5.5648 -5.5481 -4.6507 -4.6415 -3.1814 -3.1749 -2.5157 -2.4982 -2.0736 -2.0591 -1.3305 -1.1434 -0.8151 -0.6735 -0.1266 -0.0792 0.2867 0.3001 0.6783 0.7870 1.2843 1.3346 1.8204 1.8340 2.3086 2.3345 2.4937 2.5420 2.6363 2.7070 2.9521 2.9925 3.0204 3.0441 3.1743 3.2118 3.4275 3.4545 7.9534 8.3092 9.6025 10.0632 10.2600 10.6984 11.4845 11.5071 12.2915 12.4607 k = 0.2283 0.1583-0.0765 ( 4082 PWs) bands (ev): -16.1276 -16.1248 -14.9874 -14.9791 -14.3898 -14.3820 -14.0272 -14.0267 -13.7048 -13.6920 -13.4887 -13.4726 -5.6101 -5.5934 -4.6218 -4.6127 -3.1662 -3.1596 -2.4913 -2.4741 -2.0362 -2.0224 -1.3327 -1.1381 -0.8410 -0.6975 -0.1484 -0.1031 0.2869 0.3018 0.6310 0.7392 1.2895 1.3327 1.8184 1.8372 2.3044 2.3267 2.4808 2.5370 2.6567 2.7295 2.9528 2.9914 3.0096 3.0338 3.1878 3.2302 3.4539 3.4866 7.9440 8.3039 9.5957 10.0647 10.2652 10.7239 11.5210 11.5395 12.3038 12.4670 k = 0.2391 0.1659-0.0801 ( 4086 PWs) bands (ev): -16.1040 -16.1012 -14.9861 -14.9777 -14.3998 -14.3927 -14.0402 -14.0395 -13.7058 -13.6925 -13.4993 -13.4830 -5.6558 -5.6391 -4.5904 -4.5815 -3.1523 -3.1455 -2.4674 -2.4503 -2.0004 -1.9876 -1.3335 -1.1315 -0.8636 -0.7192 -0.1723 -0.1278 0.2893 0.3053 0.5842 0.6918 1.2944 1.3309 1.8098 1.8384 2.2987 2.3161 2.4681 2.5312 2.6796 2.7528 2.9522 2.9895 2.9983 3.0243 3.2023 3.2484 3.4819 3.5203 7.9355 8.2979 9.5907 10.0640 10.2748 10.7489 11.5568 11.5719 12.3160 12.4724 k = 0.2500 0.1734-0.0838 ( 4084 PWs) bands (ev): -16.0794 -16.0765 -14.9849 -14.9763 -14.4120 -14.4058 -14.0518 -14.0507 -13.7071 -13.6934 -13.5094 -13.4931 -5.7015 -5.6849 -4.5567 -4.5480 -3.1397 -3.1324 -2.4446 -2.4274 -1.9661 -1.9546 -1.3326 -1.1237 -0.8827 -0.7384 -0.1979 -0.1533 0.2938 0.3105 0.5384 0.6451 1.2988 1.3288 1.7974 1.8351 2.2903 2.3022 2.4572 2.5263 2.7026 2.7758 2.9513 2.9860 2.9875 3.0176 3.2172 3.2665 3.5108 3.5547 7.9280 8.2915 9.5873 10.0612 10.2885 10.7731 11.5917 11.6041 12.3280 12.4769 k = 0.2609 0.1810-0.0874 ( 4088 PWs) bands (ev): -16.0540 -16.0510 -14.9837 -14.9751 -14.4267 -14.4214 -14.0619 -14.0601 -13.7088 -13.6947 -13.5190 -13.5027 -5.7468 -5.7304 -4.5211 -4.5127 -3.1283 -3.1203 -2.4235 -2.4063 -1.9334 -1.9235 -1.3298 -1.1145 -0.8980 -0.7548 -0.2244 -0.1791 0.3000 0.3173 0.4935 0.5992 1.3022 1.3263 1.7819 1.8268 2.2779 2.2848 2.4493 2.5228 2.7246 2.7971 2.9513 2.9772 2.9812 3.0155 3.2326 3.2845 3.5404 3.5893 7.9214 8.2845 9.5856 10.0569 10.3056 10.7964 11.6258 11.6360 12.3398 12.4806 k = 0.2717 0.1885-0.0911 ( 4089 PWs) bands (ev): -16.0276 -16.0247 -14.9827 -14.9741 -14.4437 -14.4394 -14.0702 -14.0678 -13.7110 -13.6966 -13.5279 -13.5117 -5.7914 -5.7753 -4.4839 -4.4756 -3.1181 -3.1093 -2.4051 -2.3877 -1.9022 -1.8937 -1.3249 -1.1041 -0.9091 -0.7680 -0.2515 -0.2051 0.3075 0.3256 0.4502 0.5542 1.3045 1.3232 1.7635 1.8139 2.2609 2.2643 2.4448 2.5203 2.7443 2.8153 2.9530 2.9692 2.9750 3.0184 3.2483 3.3026 3.5700 3.6236 7.9158 8.2772 9.5855 10.0513 10.3254 10.8184 11.6591 11.6677 12.3512 12.4835 k = 0.2826 0.1960-0.0947 ( 4088 PWs) bands (ev): -16.0005 -15.9975 -14.9820 -14.9734 -14.4630 -14.4598 -14.0769 -14.0738 -13.7137 -13.6991 -13.5359 -13.5201 -5.8351 -5.8194 -4.4451 -4.4371 -3.1090 -3.0993 -2.3901 -2.3724 -1.8720 -1.8651 -1.3178 -1.0923 -0.9159 -0.7781 -0.2786 -0.2309 0.3147 0.3352 0.4095 0.5105 1.3054 1.3194 1.7424 1.7967 2.2394 2.2411 2.4430 2.5182 2.7611 2.8291 2.9555 2.9646 2.9710 3.0252 3.2644 3.3210 3.5995 3.6572 7.9113 8.2694 9.5869 10.0447 10.3475 10.8392 11.6916 11.6990 12.3621 12.4856 k = 0.2935 0.2036-0.0984 ( 4088 PWs) bands (ev): -15.9725 -15.9695 -14.9815 -14.9729 -14.4844 -14.4822 -14.0820 -14.0781 -13.7169 -13.7023 -13.5430 -13.5277 -5.8778 -5.8625 -4.4052 -4.3974 -3.1009 -3.0902 -2.3793 -2.3614 -1.8428 -1.8371 -1.3084 -1.0794 -0.9184 -0.7848 -0.3053 -0.2562 0.3168 0.3456 0.3761 0.4686 1.3047 1.3148 1.7191 1.7756 2.2141 2.2158 2.4428 2.5158 2.7748 2.8374 2.9540 2.9616 2.9779 3.0351 3.2812 3.3398 3.6285 3.6898 7.9078 8.2612 9.5898 10.0375 10.3714 10.8583 11.7232 11.7299 12.3723 12.4869 k = 0.3043 0.2111-0.1020 ( 4096 PWs) bands (ev): -15.9438 -15.9407 -14.9814 -14.9728 -14.5075 -14.5065 -14.0856 -14.0811 -13.7209 -13.7063 -13.5491 -13.5344 -5.9192 -5.9043 -4.3642 -4.3567 -3.0936 -3.0818 -2.3735 -2.3551 -1.8141 -1.8094 -1.2965 -1.0654 -0.9167 -0.7882 -0.3313 -0.2808 0.3000 0.3533 0.3653 0.4306 1.3020 1.3096 1.6938 1.7512 2.1863 2.1886 2.4430 2.5124 2.7857 2.8408 2.9518 2.9592 2.9939 3.0472 3.2987 3.3591 3.6568 3.7212 7.9054 8.2526 9.5941 10.0296 10.3966 10.8758 11.7540 11.7603 12.3817 12.4875 k = 0.3152 0.2186-0.1056 ( 4096 PWs) bands (ev): -15.9143 -15.9112 -14.9818 -14.9732 -14.5323 -14.5321 -14.0879 -14.0827 -13.7255 -13.7111 -13.5541 -13.5402 -5.9590 -5.9447 -4.3224 -4.3152 -3.0869 -3.0741 -2.3731 -2.3543 -1.7856 -1.7816 -1.2821 -1.0504 -0.9110 -0.7883 -0.3562 -0.3045 0.2666 0.3486 0.3755 0.4049 1.2973 1.3036 1.6669 1.7240 2.1569 2.1598 2.4425 2.5075 2.7945 2.8411 2.9508 2.9587 3.0139 3.0606 3.3171 3.3790 3.6842 3.7510 7.9040 8.2437 9.5996 10.0212 10.4229 10.8915 11.7839 11.7901 12.3902 12.4874 k = 0.3261 0.2262-0.1093 ( 4094 PWs) bands (ev): -15.8841 -15.8811 -14.9827 -14.9743 -14.5590 -14.5580 -14.0890 -14.0833 -13.7309 -13.7167 -13.5581 -13.5451 -5.9973 -5.9835 -4.2800 -4.2730 -3.0808 -3.0670 -2.3783 -2.3589 -1.7574 -1.7536 -1.2653 -1.0348 -0.9015 -0.7852 -0.3797 -0.3271 0.2293 0.3233 0.3903 0.4036 1.2904 1.2967 1.6388 1.6946 2.1265 2.1301 2.4408 2.5006 2.8019 2.8400 2.9514 2.9599 3.0356 3.0747 3.3368 3.3994 3.7105 3.7792 7.9038 8.2343 9.6064 10.0123 10.4500 10.9053 11.8130 11.8193 12.3977 12.4866 k = 0.3370 0.2337-0.1129 ( 4097 PWs) bands (ev): -15.8533 -15.8503 -14.9845 -14.9760 -14.5866 -14.5846 -14.0891 -14.0829 -13.7368 -13.7231 -13.5610 -13.5491 -6.0339 -6.0206 -4.2372 -4.2305 -3.0750 -3.0602 -2.3890 -2.3691 -1.7295 -1.7254 -1.2461 -1.0186 -0.8885 -0.7790 -0.4016 -0.3484 0.1915 0.2878 0.4069 0.4152 1.2816 1.2882 1.6100 1.6635 2.0956 2.0998 2.4374 2.4918 2.8086 2.8388 2.9537 2.9626 3.0573 3.0887 3.3576 3.4203 3.7356 3.8055 7.9047 8.2246 9.6142 10.0030 10.4776 10.9171 11.8411 11.8478 12.4042 12.4852 k = 0.3478 0.2413-0.1166 ( 4097 PWs) bands (ev): -15.8219 -15.8190 -14.9872 -14.9788 -14.6144 -14.6115 -14.0883 -14.0818 -13.7433 -13.7301 -13.5631 -13.5523 -6.0685 -6.0559 -4.1943 -4.1879 -3.0693 -3.0537 -2.4049 -2.3844 -1.7021 -1.6971 -1.2246 -1.0023 -0.8726 -0.7698 -0.4218 -0.3683 0.1542 0.2502 0.4250 0.4313 1.2710 1.2777 1.5811 1.6313 2.0646 2.0694 2.4321 2.4810 2.8149 2.8382 2.9575 2.9666 3.0781 3.1024 3.3798 3.4415 3.7594 3.8299 7.9067 8.2144 9.6231 9.9931 10.5056 10.9269 11.8683 11.8755 12.4094 12.4833 k = 0.3587 0.2488-0.1202 ( 4099 PWs) bands (ev): -15.7901 -15.7872 -14.9910 -14.9827 -14.6421 -14.6384 -14.0868 -14.0801 -13.7503 -13.7376 -13.5644 -13.5547 -6.1012 -6.0893 -4.1516 -4.1454 -3.0637 -3.0472 -2.4256 -2.4045 -1.6756 -1.6693 -1.2011 -0.9859 -0.8540 -0.7580 -0.4400 -0.3868 0.1175 0.2124 0.4442 0.4495 1.2586 1.2647 1.5526 1.5988 2.0341 2.0392 2.4249 2.4685 2.8211 2.8385 2.9626 2.9716 3.0972 3.1152 3.4032 3.4630 3.7818 3.8523 7.9098 8.2038 9.6329 9.9828 10.5338 10.9345 11.8946 11.9023 12.4135 12.4808 k = 0.3696 0.2563-0.1239 ( 4098 PWs) bands (ev): -15.7578 -15.7550 -14.9963 -14.9881 -14.6691 -14.6647 -14.0847 -14.0778 -13.7576 -13.7455 -13.5650 -13.5564 -6.1318 -6.1207 -4.1093 -4.1034 -3.0578 -3.0405 -2.4504 -2.4288 -1.6502 -1.6422 -1.1758 -0.9699 -0.8332 -0.7437 -0.4561 -0.4038 0.0817 0.1750 0.4643 0.4694 1.2440 1.2488 1.5254 1.5667 2.0042 2.0097 2.4161 2.4548 2.8273 2.8399 2.9687 2.9773 3.1144 3.1270 3.4275 3.4844 3.8027 3.8725 7.9139 8.1928 9.6435 9.9720 10.5620 10.9400 11.9199 11.9282 12.4164 12.4778 k = 0.3804 0.2639-0.1275 ( 4088 PWs) bands (ev): -15.7251 -15.7224 -15.0033 -14.9953 -14.6949 -14.6899 -14.0822 -14.0752 -13.7651 -13.7536 -13.5651 -13.5575 -6.1602 -6.1498 -4.0677 -4.0621 -3.0515 -3.0334 -2.4787 -2.4566 -1.6263 -1.6164 -1.1490 -0.9544 -0.8107 -0.7271 -0.4700 -0.4192 0.0469 0.1382 0.4853 0.4907 1.2270 1.2299 1.5000 1.5360 1.9753 1.9811 2.4062 2.4402 2.8334 2.8424 2.9756 2.9837 3.1294 3.1377 3.4524 3.5055 3.8222 3.8904 7.9192 8.1814 9.6548 9.9607 10.5900 10.9435 11.9440 11.9530 12.4181 12.4744 k = 0.3913 0.2714-0.1311 ( 4084 PWs) bands (ev): -15.6923 -15.6897 -15.0124 -15.0047 -14.7189 -14.7136 -14.0793 -14.0723 -13.7726 -13.7617 -13.5648 -13.5581 -6.1864 -6.1768 -4.0273 -4.0220 -3.0445 -3.0257 -2.5099 -2.4874 -1.6041 -1.5924 -1.1211 -0.9397 -0.7868 -0.7086 -0.4818 -0.4331 0.0131 0.1020 0.5072 0.5132 1.2066 1.2085 1.4772 1.5073 1.9478 1.9536 2.3954 2.4252 2.8393 2.8457 2.9829 2.9903 3.1422 3.1472 3.4774 3.5262 3.8402 3.9062 7.9255 8.1695 9.6669 9.9489 10.6177 10.9448 11.9671 11.9767 12.4188 12.4705 k = 0.4022 0.2790-0.1348 ( 4086 PWs) bands (ev): -15.6595 -15.6570 -15.0239 -15.0165 -14.7407 -14.7351 -14.0761 -14.0693 -13.7800 -13.7698 -13.5641 -13.5584 -6.2102 -6.2015 -3.9885 -3.9834 -3.0367 -3.0173 -2.5433 -2.5204 -1.5837 -1.5705 -1.0926 -0.9261 -0.7620 -0.6886 -0.4914 -0.4455 -0.0196 0.0665 0.5300 0.5366 1.1817 1.1856 1.4572 1.4814 1.9219 1.9276 2.3842 2.4102 2.8448 2.8496 2.9904 2.9971 3.1531 3.1556 3.5022 3.5460 3.8568 3.9196 7.9329 8.1572 9.6795 9.9366 10.6450 10.9440 11.9888 11.9990 12.4185 12.4661 k = 0.4130 0.2865-0.1384 ( 4084 PWs) bands (ev): -15.6267 -15.6245 -15.0377 -15.0309 -14.7598 -14.7542 -14.0728 -14.0663 -13.7871 -13.7777 -13.5633 -13.5584 -6.2317 -6.2239 -3.9516 -3.9468 -3.0278 -3.0078 -2.5782 -2.5551 -1.5654 -1.5509 -1.0641 -0.9139 -0.7366 -0.6674 -0.4987 -0.4564 -0.0509 0.0318 0.5535 0.5608 1.1536 1.1603 1.4401 1.4588 1.8979 1.9034 2.3731 2.3955 2.8498 2.8540 2.9978 3.0038 3.1621 3.1629 3.5261 3.5646 3.8718 3.9308 7.9412 8.1445 9.6926 9.9238 10.6718 10.9412 12.0092 12.0198 12.4176 12.4613 k = 0.4239 0.2940-0.1421 ( 4080 PWs) bands (ev): -15.5944 -15.5923 -15.0540 -15.0479 -14.7759 -14.7706 -14.0694 -14.0633 -13.7938 -13.7852 -13.5624 -13.5582 -6.2506 -6.2438 -3.9171 -3.9128 -3.0175 -2.9970 -2.6140 -2.5908 -1.5490 -1.5341 -1.0361 -0.9033 -0.7111 -0.6457 -0.5039 -0.4658 -0.0806 -0.0020 0.5776 0.5856 1.1235 1.1325 1.4260 1.4398 1.8760 1.8812 2.3625 2.3816 2.8544 2.8584 3.0050 3.0103 3.1690 3.1697 3.5487 3.5819 3.8855 3.9397 7.9504 8.1314 9.7062 9.9106 10.6979 10.9364 12.0281 12.0389 12.4163 12.4561 k = 0.4348 0.3016-0.1457 ( 4080 PWs) bands (ev): -15.5629 -15.5610 -15.0723 -15.0670 -14.7890 -14.7842 -14.0661 -14.0605 -13.7998 -13.7921 -13.5614 -13.5580 -6.2671 -6.2612 -3.8857 -3.8817 -3.0057 -2.9848 -2.6500 -2.6268 -1.5347 -1.5199 -1.0092 -0.8946 -0.6858 -0.6244 -0.5068 -0.4738 -0.1082 -0.0348 0.6022 0.6107 1.0923 1.1028 1.4144 1.4243 1.8564 1.8612 2.3527 2.3688 2.8587 2.8625 3.0118 3.0163 3.1743 3.1756 3.5695 3.5974 3.8978 3.9464 7.9605 8.1181 9.7202 9.8970 10.7231 10.9297 12.0454 12.0560 12.4148 12.4505 k = 0.4457 0.3091-0.1494 ( 4080 PWs) bands (ev): -15.5326 -15.5310 -15.0919 -15.0875 -14.7993 -14.7952 -14.0629 -14.0580 -13.8051 -13.7985 -13.5605 -13.5577 -6.2811 -6.2761 -3.8577 -3.8543 -2.9922 -2.9711 -2.6855 -2.6626 -1.5223 -1.5085 -0.9841 -0.8882 -0.6614 -0.6049 -0.5074 -0.4802 -0.1331 -0.0662 0.6269 0.6357 1.0609 1.0724 1.4052 1.4119 1.8395 1.8437 2.3440 2.3573 2.8625 2.8661 3.0179 3.0217 3.1786 3.1803 3.5882 3.6108 3.9089 3.9510 7.9714 8.1044 9.7345 9.8830 10.7475 10.9211 12.0608 12.0709 12.4135 12.4446 k = 0.4565 0.3167-0.1530 ( 4080 PWs) bands (ev): -15.5044 -15.5031 -15.1119 -15.1084 -14.8070 -14.8037 -14.0600 -14.0559 -13.8095 -13.8040 -13.5596 -13.5574 -6.2925 -6.2885 -3.8339 -3.8310 -2.9769 -2.9561 -2.7195 -2.6973 -1.5119 -1.4997 -0.9611 -0.8843 -0.6385 -0.5886 -0.5056 -0.4850 -0.1543 -0.0957 0.6511 0.6598 1.0308 1.0422 1.3981 1.4025 1.8254 1.8290 2.3368 2.3473 2.8659 2.8690 3.0232 3.0263 3.1821 3.1838 3.6043 3.6220 3.9187 3.9535 7.9830 8.0906 9.7491 9.8686 10.7709 10.9107 12.0743 12.0832 12.4127 12.4387 k = 0.4674 0.3242-0.1566 ( 4088 PWs) bands (ev): -15.4794 -15.4784 -15.1308 -15.1282 -14.8126 -14.8100 -14.0575 -14.0543 -13.8129 -13.8087 -13.5588 -13.5572 -6.3013 -6.2982 -3.8146 -3.8123 -2.9602 -2.9404 -2.7509 -2.7300 -1.5033 -1.4936 -0.9407 -0.8831 -0.6177 -0.5773 -0.5017 -0.4881 -0.1707 -0.1228 0.6739 0.6819 1.0036 1.0140 1.3928 1.3956 1.8144 1.8171 2.3312 2.3390 2.8688 2.8712 3.0276 3.0299 3.1849 3.1863 3.6175 3.6306 3.9274 3.9543 7.9952 8.0766 9.7640 9.8540 10.7931 10.8986 12.0854 12.0928 12.4126 12.4329 k = 0.4783 0.3317-0.1603 ( 4092 PWs) bands (ev): -15.4590 -15.4584 -15.1468 -15.1451 -14.8162 -14.8145 -14.0554 -14.0532 -13.8152 -13.8123 -13.5581 -13.5571 -6.3074 -6.3054 -3.8003 -3.7987 -2.9426 -2.9256 -2.7772 -2.7595 -1.4967 -1.4898 -0.9232 -0.8848 -0.6000 -0.5717 -0.4969 -0.4896 -0.1808 -0.1464 0.6937 0.7001 0.9816 0.9897 1.3892 1.3908 1.8065 1.8084 2.3275 2.3327 2.8710 2.8727 3.0309 3.0325 3.1869 3.1879 3.6278 3.6363 3.9350 3.9532 8.0080 8.0626 9.7789 9.8392 10.8142 10.8847 12.0941 12.0993 12.4134 12.4274 k = 0.4891 0.3393-0.1639 ( 4086 PWs) bands (ev): -15.4455 -15.4451 -15.1577 -15.1568 -14.8181 -14.8173 -14.0539 -14.0528 -13.8163 -13.8148 -13.5576 -13.5571 -6.3109 -6.3098 -3.7914 -3.7906 -2.9263 -2.9155 -2.7944 -2.7832 -1.4919 -1.4884 -0.9088 -0.8896 -0.5861 -0.5716 -0.4930 -0.4902 -0.1834 -0.1653 0.7083 0.7120 0.9676 0.9722 1.3873 1.3880 1.8019 1.8029 2.3258 2.3283 2.8725 2.8734 3.0331 3.0339 3.1882 3.1887 3.6348 3.6390 3.9415 3.9507 8.0212 8.0486 9.7940 9.8242 10.8340 10.8693 12.1000 12.1027 12.4154 12.4225 k = 0.5000 0.3468-0.1676 ( 4086 PWs) bands (ev): -15.4406 -15.4406 -15.1613 -15.1613 -14.8184 -14.8184 -14.0530 -14.0530 -13.8162 -13.8162 -13.5573 -13.5573 -6.3117 -6.3117 -3.7881 -3.7881 -2.9155 -2.9155 -2.7966 -2.7966 -1.4891 -1.4891 -0.8976 -0.8976 -0.5765 -0.5765 -0.4908 -0.4908 -0.1781 -0.1781 0.7150 0.7150 0.9642 0.9642 1.3868 1.3868 1.8007 1.8007 2.3260 2.3260 2.8734 2.8734 3.0341 3.0341 3.1888 3.1888 3.6385 3.6385 3.9467 3.9467 8.0348 8.0348 9.8091 9.8091 10.8524 10.8524 12.1029 12.1029 12.4185 12.4185 k = 0.5000 0.3468-0.1676 ( 4086 PWs) bands (ev): -15.4406 -15.4406 -15.1613 -15.1613 -14.8184 -14.8184 -14.0530 -14.0530 -13.8162 -13.8162 -13.5573 -13.5573 -6.3117 -6.3117 -3.7881 -3.7881 -2.9155 -2.9155 -2.7966 -2.7966 -1.4891 -1.4891 -0.8976 -0.8976 -0.5765 -0.5765 -0.4908 -0.4908 -0.1781 -0.1781 0.7150 0.7150 0.9642 0.9642 1.3868 1.3868 1.8007 1.8007 2.3260 2.3260 2.8734 2.8734 3.0341 3.0341 3.1888 3.1888 3.6385 3.6385 3.9467 3.9467 8.0348 8.0348 9.8091 9.8091 10.8524 10.8524 12.1029 12.1029 12.4185 12.4185 k = 0.5029 0.3488-0.1548 ( 4088 PWs) bands (ev): -15.4408 -15.4407 -15.1611 -15.1610 -14.8187 -14.8183 -14.0538 -14.0528 -13.8163 -13.8153 -13.5576 -13.5572 -6.3110 -6.3103 -3.7909 -3.7895 -2.9180 -2.9146 -2.7983 -2.7947 -1.4878 -1.4867 -0.9011 -0.8955 -0.5832 -0.5708 -0.4986 -0.4807 -0.1808 -0.1731 0.7143 0.7151 0.9626 0.9639 1.3861 1.3868 1.8002 1.8037 2.3196 2.3294 2.8726 2.8750 3.0324 3.0382 3.1876 3.1890 3.6377 3.6383 3.9445 3.9487 8.0316 8.0383 9.8047 9.8137 10.8472 10.8564 12.1027 12.1033 12.4116 12.4249 k = 0.5058 0.3508-0.1420 ( 4090 PWs) bands (ev): -15.4413 -15.4413 -15.1605 -15.1602 -14.8191 -14.8184 -14.0551 -14.0532 -13.8157 -13.8138 -13.5580 -13.5573 -6.3081 -6.3067 -3.7977 -3.7950 -2.9220 -2.9154 -2.7997 -2.7926 -1.4828 -1.4807 -0.9059 -0.8949 -0.5901 -0.5669 -0.5027 -0.4690 -0.1814 -0.1661 0.7130 0.7147 0.9593 0.9617 1.3847 1.3862 1.8020 1.8092 2.3106 2.3297 2.8726 2.8774 3.0330 3.0445 3.1855 3.1882 3.6357 3.6370 3.9420 3.9505 8.0288 8.0422 9.8004 9.8183 10.8410 10.8593 12.1027 12.1040 12.4044 12.4307 k = 0.5087 0.3529-0.1292 ( 4091 PWs) bands (ev): -15.4422 -15.4421 -15.1594 -15.1589 -14.8197 -14.8185 -14.0569 -14.0541 -13.8145 -13.8117 -13.5587 -13.5576 -6.3031 -6.3010 -3.8085 -3.8046 -2.9275 -2.9179 -2.8004 -2.7903 -1.4745 -1.4715 -0.9122 -0.8959 -0.5965 -0.5653 -0.5026 -0.4564 -0.1796 -0.1571 0.7108 0.7136 0.9544 0.9579 1.3826 1.3849 1.8059 1.8169 2.2996 2.3270 2.8734 2.8808 3.0359 3.0527 3.1825 3.1865 3.6327 3.6345 3.9393 3.9521 8.0263 8.0463 9.7963 9.8230 10.8339 10.8611 12.1029 12.1048 12.3969 12.4358 k = 0.5116 0.3549-0.1164 ( 4089 PWs) bands (ev): -15.4434 -15.4434 -15.1578 -15.1572 -14.8203 -14.8188 -14.0590 -14.0554 -13.8126 -13.8090 -13.5595 -13.5581 -6.2960 -6.2932 -3.8231 -3.8182 -2.9343 -2.9220 -2.8004 -2.7875 -1.4633 -1.4595 -0.9200 -0.8985 -0.6019 -0.5652 -0.4985 -0.4434 -0.1756 -0.1463 0.7077 0.7116 0.9486 0.9527 1.3799 1.3829 1.8117 1.8266 2.2872 2.3214 2.8748 2.8850 3.0408 3.0624 3.1787 3.1838 3.6286 3.6310 3.9364 3.9535 8.0241 8.0506 9.7925 9.8278 10.8259 10.8618 12.1034 12.1059 12.3892 12.4399 k = 0.5145 0.3569-0.1036 ( 4089 PWs) bands (ev): -15.4451 -15.4450 -15.1557 -15.1550 -14.8210 -14.8192 -14.0615 -14.0572 -13.8101 -13.8059 -13.5605 -13.5588 -6.2868 -6.2834 -3.8414 -3.8356 -2.9422 -2.9278 -2.7992 -2.7842 -1.4499 -1.4455 -0.9292 -0.9031 -0.6056 -0.5651 -0.4914 -0.4302 -0.1693 -0.1339 0.7031 0.7084 0.9422 0.9468 1.3764 1.3802 1.8187 1.8379 2.2743 2.3135 2.8768 2.8900 3.0474 3.0733 3.1743 3.1804 3.6234 3.6263 3.9333 3.9547 8.0223 8.0553 9.7889 9.8325 10.8170 10.8614 12.1041 12.1073 12.3812 12.4429 k = 0.5174 0.3589-0.0908 ( 4086 PWs) bands (ev): -15.4471 -15.4471 -15.1532 -15.1523 -14.8218 -14.8196 -14.0643 -14.0594 -13.8072 -13.8025 -13.5617 -13.5596 -6.2757 -6.2716 -3.8631 -3.8568 -2.9510 -2.9349 -2.7968 -2.7802 -1.4351 -1.4303 -0.9400 -0.9097 -0.6071 -0.5639 -0.4824 -0.4170 -0.1609 -0.1199 0.6967 0.7037 0.9360 0.9407 1.3722 1.3768 1.8263 1.8503 2.2619 2.3041 2.8793 2.8957 3.0552 3.0848 3.1695 3.1762 3.6171 3.6205 3.9299 3.9557 8.0208 8.0601 9.7856 9.8372 10.8075 10.8599 12.1051 12.1090 12.3729 12.4445 k = 0.5203 0.3609-0.0780 ( 4088 PWs) bands (ev): -15.4496 -15.4495 -15.1503 -15.1492 -14.8225 -14.8200 -14.0671 -14.0618 -13.8040 -13.7988 -13.5631 -13.5606 -6.2627 -6.2580 -3.8880 -3.8813 -2.9603 -2.9430 -2.7932 -2.7755 -1.4195 -1.4145 -0.9522 -0.9185 -0.6059 -0.5604 -0.4721 -0.4040 -0.1504 -0.1046 0.6883 0.6971 0.9304 0.9350 1.3672 1.3727 1.8339 1.8630 2.2509 2.2941 2.8821 2.9019 3.0637 3.0966 3.1644 3.1716 3.6097 3.6136 3.9264 3.9566 8.0195 8.0651 9.7826 9.8419 10.7974 10.8575 12.1064 12.1111 12.3643 12.4446 k = 0.5232 0.3629-0.0652 ( 4093 PWs) bands (ev): -15.4526 -15.4524 -15.1469 -15.1457 -14.8232 -14.8204 -14.0700 -14.0645 -13.8004 -13.7950 -13.5646 -13.5618 -6.2479 -6.2427 -3.9158 -3.9090 -2.9700 -2.9518 -2.7883 -2.7699 -1.4041 -1.3990 -0.9659 -0.9295 -0.6018 -0.5544 -0.4607 -0.3912 -0.1380 -0.0880 0.6775 0.6884 0.9262 0.9304 1.3612 1.3676 1.8406 1.8754 2.2425 2.2846 2.8853 2.9084 3.0723 3.1083 3.1594 3.1666 3.6012 3.6055 3.9228 3.9574 8.0185 8.0703 9.7800 9.8464 10.7868 10.8542 12.1081 12.1135 12.3554 12.4430 k = 0.5261 0.3649-0.0524 ( 4094 PWs) bands (ev): -15.4560 -15.4557 -15.1431 -15.1418 -14.8237 -14.8207 -14.0729 -14.0672 -13.7968 -13.7912 -13.5662 -13.5631 -6.2315 -6.2257 -3.9461 -3.9394 -2.9797 -2.9611 -2.7822 -2.7635 -1.3894 -1.3845 -0.9809 -0.9424 -0.5947 -0.5456 -0.4485 -0.3788 -0.1238 -0.0703 0.6644 0.6772 0.9237 0.9273 1.3540 1.3616 1.8458 1.8866 2.2376 2.2767 2.8887 2.9152 3.0804 3.1193 3.1547 3.1617 3.5916 3.5963 3.9191 3.9581 8.0177 8.0756 9.7776 9.8509 10.7758 10.8501 12.1101 12.1163 12.3461 12.4396 k = 0.5290 0.3669-0.0395 ( 4096 PWs) bands (ev): -15.4600 -15.4596 -15.1389 -15.1374 -14.8241 -14.8209 -14.0757 -14.0699 -13.7931 -13.7875 -13.5680 -13.5645 -6.2135 -6.2073 -3.9784 -3.9721 -2.9891 -2.9704 -2.7751 -2.7563 -1.3762 -1.3715 -0.9971 -0.9572 -0.5848 -0.5340 -0.4353 -0.3669 -0.1079 -0.0517 0.6490 0.6637 0.9232 0.9262 1.3455 1.3545 1.8490 1.8957 2.2372 2.2718 2.8921 2.9219 3.0872 3.1294 3.1502 3.1576 3.5809 3.5860 3.9153 3.9588 8.0169 8.0810 9.7756 9.8554 10.7646 10.8454 12.1124 12.1194 12.3366 12.4342 k = 0.5319 0.3689-0.0267 ( 4095 PWs) bands (ev): -15.4645 -15.4639 -15.1342 -15.1327 -14.8243 -14.8208 -14.0783 -14.0725 -13.7894 -13.7839 -13.5698 -13.5660 -6.1942 -6.1876 -4.0124 -4.0067 -2.9982 -2.9797 -2.7670 -2.7483 -1.3650 -1.3605 -1.0142 -0.9734 -0.5724 -0.5200 -0.4212 -0.3555 -0.0907 -0.0321 0.6318 0.6480 0.9248 0.9273 1.3354 1.3460 1.8499 1.9020 2.2419 2.2711 2.8956 2.9284 3.0921 3.1375 3.1464 3.1551 3.5693 3.5747 3.9117 3.9596 8.0162 8.0866 9.7739 9.8598 10.7532 10.8401 12.1150 12.1228 12.3268 12.4269 k = 0.5348 0.3709-0.0139 ( 4097 PWs) bands (ev): -15.4696 -15.4688 -15.1292 -15.1275 -14.8242 -14.8205 -14.0806 -14.0750 -13.7859 -13.7806 -13.5718 -13.5675 -6.1738 -6.1668 -4.0476 -4.0426 -3.0069 -2.9886 -2.7580 -2.7397 -1.3561 -1.3516 -1.0320 -0.9907 -0.5582 -0.5038 -0.4060 -0.3448 -0.0722 -0.0119 0.6131 0.6304 0.9286 0.9308 1.3233 1.3359 1.8487 1.9050 2.2517 2.2754 2.8989 2.9345 3.0947 3.1380 3.1481 3.1548 3.5567 3.5624 3.9081 3.9603 8.0154 8.0923 9.7725 9.8641 10.7416 10.8344 12.1177 12.1264 12.3170 12.4177 k = 0.5377 0.3729-0.0011 ( 4095 PWs) bands (ev): -15.4752 -15.4742 -15.1238 -15.1220 -14.8238 -14.8200 -14.0827 -14.0773 -13.7827 -13.7776 -13.5738 -13.5692 -6.1524 -6.1452 -4.0834 -4.0793 -3.0149 -2.9972 -2.7482 -2.7304 -1.3499 -1.3451 -1.0502 -1.0089 -0.5431 -0.4860 -0.3895 -0.3350 -0.0529 0.0088 0.5935 0.6115 0.9346 0.9366 1.3091 1.3240 1.8460 1.9048 2.2665 2.2851 2.9021 2.9400 3.0954 3.1333 3.1531 3.1562 3.5432 3.5491 3.9048 3.9612 8.0145 8.0982 9.7713 9.8684 10.7301 10.8285 12.1204 12.1302 12.3072 12.4066 k = 0.5406 0.3750 0.0117 ( 4101 PWs) bands (ev): -15.4814 -15.4802 -15.1181 -15.1162 -14.8231 -14.8191 -14.0844 -14.0794 -13.7798 -13.7750 -13.5759 -13.5709 -6.1304 -6.1229 -4.1194 -4.1163 -3.0224 -3.0054 -2.7378 -2.7205 -1.3464 -1.3409 -1.0687 -1.0275 -0.5279 -0.4670 -0.3716 -0.3262 -0.0331 0.0297 0.5738 0.5918 0.9427 0.9448 1.2924 1.3098 1.8425 1.9019 2.2858 2.3001 2.9049 2.9447 3.0948 3.1281 3.1563 3.1585 3.5289 3.5350 3.9018 3.9622 8.0134 8.1041 9.7703 9.8727 10.7187 10.8223 12.1227 12.1341 12.2979 12.3937 k = 0.5406 0.3750 0.0117 ( 4101 PWs) bands (ev): -15.4814 -15.4802 -15.1181 -15.1162 -14.8231 -14.8191 -14.0844 -14.0794 -13.7798 -13.7750 -13.5759 -13.5709 -6.1304 -6.1229 -4.1194 -4.1163 -3.0224 -3.0054 -2.7378 -2.7205 -1.3464 -1.3409 -1.0687 -1.0275 -0.5279 -0.4670 -0.3716 -0.3262 -0.0331 0.0297 0.5738 0.5918 0.9427 0.9448 1.2924 1.3098 1.8425 1.9019 2.2858 2.3001 2.9049 2.9447 3.0948 3.1281 3.1563 3.1585 3.5289 3.5350 3.9018 3.9622 8.0134 8.1041 9.7703 9.8727 10.7187 10.8223 12.1227 12.1341 12.2979 12.3937 k = 0.5374 0.3728 0.0246 ( 4109 PWs) bands (ev): -15.4802 -15.4789 -15.1129 -15.1103 -14.8274 -14.8229 -14.0838 -14.0790 -13.7801 -13.7758 -13.5806 -13.5756 -6.1126 -6.1054 -4.1472 -4.1443 -3.0347 -3.0187 -2.7199 -2.7032 -1.3378 -1.3317 -1.0817 -1.0451 -0.5145 -0.4535 -0.3638 -0.3089 -0.0276 0.0326 0.5640 0.5819 0.9305 0.9329 1.2763 1.2948 1.8438 1.9018 2.3157 2.3264 2.9149 2.9528 3.0937 3.1243 3.1558 3.1578 3.5121 3.5187 3.9085 3.9667 8.0156 8.1000 9.7759 9.8709 10.7192 10.8124 12.1189 12.1316 12.2945 12.3831 k = 0.5343 0.3706 0.0374 ( 4107 PWs) bands (ev): -15.4798 -15.4783 -15.1070 -15.1038 -14.8316 -14.8266 -14.0832 -14.0786 -13.7805 -13.7765 -13.5853 -13.5805 -6.0945 -6.0876 -4.1752 -4.1727 -3.0453 -3.0305 -2.7026 -2.6867 -1.3296 -1.3231 -1.0947 -1.0625 -0.5024 -0.4404 -0.3560 -0.2934 -0.0209 0.0361 0.5529 0.5707 0.9209 0.9238 1.2589 1.2783 1.8442 1.8995 2.3500 2.3583 2.9250 2.9606 3.0923 3.1204 3.1528 3.1554 3.4944 3.5014 3.9156 3.9712 8.0177 8.0956 9.7815 9.8692 10.7197 10.8029 12.1144 12.1284 12.2917 12.3726 k = 0.5312 0.3685 0.0503 ( 4107 PWs) bands (ev): -15.4799 -15.4785 -15.1005 -15.0967 -14.8356 -14.8302 -14.0826 -14.0783 -13.7808 -13.7771 -13.5901 -13.5854 -6.0763 -6.0697 -4.2032 -4.2009 -3.0543 -3.0407 -2.6861 -2.6711 -1.3219 -1.3151 -1.1075 -1.0795 -0.4914 -0.4284 -0.3480 -0.2799 -0.0131 0.0400 0.5409 0.5583 0.9141 0.9174 1.2404 1.2604 1.8442 1.8957 2.3880 2.3947 2.9350 2.9678 3.0909 3.1165 3.1472 3.1511 3.4764 3.4835 3.9230 3.9754 8.0198 8.0912 9.7871 9.8674 10.7202 10.7939 12.1095 12.1247 12.2894 12.3622 k = 0.5281 0.3663 0.0632 ( 4109 PWs) bands (ev): -15.4805 -15.4791 -15.0936 -15.0895 -14.8393 -14.8336 -14.0819 -14.0779 -13.7811 -13.7778 -13.5947 -13.5902 -6.0584 -6.0522 -4.2305 -4.2284 -3.0619 -3.0496 -2.6705 -2.6566 -1.3146 -1.3075 -1.1199 -1.0959 -0.4810 -0.4179 -0.3397 -0.2688 -0.0043 0.0442 0.5284 0.5452 0.9101 0.9139 1.2211 1.2414 1.8440 1.8910 2.4287 2.4344 2.9443 2.9740 3.0894 3.1124 3.1392 3.1451 3.4583 3.4655 3.9306 3.9794 8.0219 8.0866 9.7926 9.8654 10.7208 10.7855 12.1044 12.1205 12.2875 12.3522 k = 0.5250 0.3641 0.0761 ( 4109 PWs) bands (ev): -15.4814 -15.4801 -15.0867 -15.0823 -14.8426 -14.8369 -14.0813 -14.0776 -13.7813 -13.7784 -13.5992 -13.5949 -6.0410 -6.0352 -4.2567 -4.2549 -3.0682 -3.0572 -2.6559 -2.6432 -1.3078 -1.3005 -1.1318 -1.1116 -0.4712 -0.4093 -0.3309 -0.2601 0.0053 0.0488 0.5158 0.5317 0.9086 0.9130 1.2010 1.2213 1.8440 1.8861 2.4715 2.4767 2.9521 2.9784 3.0879 3.1077 3.1297 3.1375 3.4408 3.4477 3.9382 3.9829 8.0240 8.0819 9.7981 9.8633 10.7216 10.7777 12.0994 12.1159 12.2862 12.3427 k = 0.5218 0.3620 0.0890 ( 4110 PWs) bands (ev): -15.4825 -15.4812 -15.0799 -15.0754 -14.8457 -14.8400 -14.0807 -14.0774 -13.7816 -13.7790 -13.6033 -13.5994 -6.0244 -6.0192 -4.2813 -4.2797 -3.0734 -3.0637 -2.6425 -2.6311 -1.3014 -1.2940 -1.1430 -1.1263 -0.4619 -0.4029 -0.3218 -0.2538 0.0154 0.0535 0.5035 0.5184 0.9097 0.9146 1.1807 1.2007 1.8442 1.8812 2.5158 2.5206 2.9573 2.9802 3.0862 3.1017 3.1206 3.1291 3.4241 3.4306 3.9457 3.9858 8.0262 8.0772 9.8035 9.8609 10.7225 10.7705 12.0948 12.1111 12.2853 12.3339 k = 0.5187 0.3598 0.1019 ( 4112 PWs) bands (ev): -15.4836 -15.4825 -15.0734 -15.0690 -14.8483 -14.8429 -14.0801 -14.0772 -13.7817 -13.7796 -13.6070 -13.6035 -6.0091 -6.0045 -4.3038 -4.3024 -3.0775 -3.0692 -2.6304 -2.6205 -1.2953 -1.2881 -1.1533 -1.1399 -0.4530 -0.3987 -0.3125 -0.2497 0.0256 0.0580 0.4920 0.5055 0.9130 0.9184 1.1605 1.1797 1.8448 1.8764 2.5610 2.5655 2.9582 2.9781 3.0836 3.0943 3.1141 3.1210 3.4088 3.4146 3.9530 3.9881 8.0285 8.0724 9.8088 9.8584 10.7236 10.7639 12.0908 12.1062 12.2848 12.3257 k = 0.5156 0.3576 0.1148 ( 4110 PWs) bands (ev): -15.4847 -15.4837 -15.0674 -15.0633 -14.8505 -14.8456 -14.0795 -14.0771 -13.7819 -13.7801 -13.6103 -13.6072 -5.9953 -5.9913 -4.3237 -4.3225 -3.0807 -3.0737 -2.6198 -2.6114 -1.2897 -1.2829 -1.1626 -1.1522 -0.4444 -0.3965 -0.3031 -0.2477 0.0356 0.0622 0.4817 0.4935 0.9182 0.9240 1.1410 1.1589 1.8457 1.8720 2.6064 2.6108 2.9528 2.9704 3.0792 3.0881 3.1103 3.1146 3.3952 3.4001 3.9599 3.9898 8.0310 8.0678 9.8140 9.8556 10.7249 10.7580 12.0874 12.1014 12.2848 12.3183 k = 0.5125 0.3555 0.1277 ( 4098 PWs) bands (ev): -15.4857 -15.4849 -15.0621 -15.0586 -14.8522 -14.8480 -14.0790 -14.0770 -13.7820 -13.7805 -13.6129 -13.6105 -5.9834 -5.9801 -4.3407 -4.3397 -3.0830 -3.0775 -2.6108 -2.6040 -1.2846 -1.2784 -1.1706 -1.1629 -0.4362 -0.3962 -0.2939 -0.2476 0.0448 0.0658 0.4729 0.4829 0.9250 0.9310 1.1228 1.1389 1.8470 1.8680 2.6517 2.6560 2.9399 2.9554 3.0747 3.0844 3.1081 3.1108 3.3836 3.3876 3.9664 3.9906 8.0337 8.0632 9.8191 9.8526 10.7266 10.7526 12.0849 12.0968 12.2853 12.3116 k = 0.5094 0.3533 0.1406 ( 4094 PWs) bands (ev): -15.4865 -15.4859 -15.0577 -15.0548 -14.8535 -14.8501 -14.0785 -14.0770 -13.7820 -13.7809 -13.6150 -13.6131 -5.9737 -5.9712 -4.3543 -4.3535 -3.0846 -3.0804 -2.6035 -2.5983 -1.2799 -1.2748 -1.1772 -1.1719 -0.4285 -0.3975 -0.2850 -0.2492 0.0529 0.0684 0.4660 0.4738 0.9326 0.9383 1.1070 1.1205 1.8486 1.8643 2.6961 2.7005 2.9199 2.9331 3.0726 3.0816 3.1071 3.1092 3.3742 3.3773 3.9722 3.9906 8.0366 8.0588 9.8241 9.8492 10.7285 10.7478 12.0832 12.0926 12.2863 12.3058 k = 0.5062 0.3512 0.1535 ( 4096 PWs) bands (ev): -15.4870 -15.4866 -15.0542 -15.0522 -14.8542 -14.8518 -14.0781 -14.0771 -13.7819 -13.7812 -13.6165 -13.6152 -5.9664 -5.9648 -4.3642 -4.3637 -3.0855 -3.0827 -2.5980 -2.5945 -1.2760 -1.2723 -1.1821 -1.1787 -0.4213 -0.4002 -0.2767 -0.2524 0.0596 0.0698 0.4613 0.4666 0.9401 0.9448 1.0947 1.1048 1.8505 1.8609 2.7388 2.7435 2.8940 2.9047 3.0727 3.0792 3.1069 3.1087 3.3674 3.3695 3.9773 3.9897 8.0397 8.0546 9.8288 9.8457 10.7307 10.7434 12.0825 12.0890 12.2879 12.3008 k = 0.5031 0.3490 0.1663 ( 4098 PWs) bands (ev): -15.4874 -15.4871 -15.0519 -15.0509 -14.8543 -14.8531 -14.0778 -14.0772 -13.7819 -13.7815 -13.6172 -13.6165 -5.9618 -5.9610 -4.3702 -4.3699 -3.0858 -3.0844 -2.5943 -2.5925 -1.2731 -1.2711 -1.1849 -1.1833 -0.4148 -0.4041 -0.2692 -0.2568 0.0647 0.0697 0.4590 0.4617 0.9463 0.9490 1.0876 1.0930 1.8526 1.8579 2.7783 2.7831 2.8649 2.8728 3.0739 3.0772 3.1074 3.1084 3.3635 3.3645 3.9817 3.9879 8.0431 8.0505 9.8334 9.8418 10.7333 10.7396 12.0828 12.0861 12.2901 12.2965 k = 0.5000 0.3468 0.1792 ( 4102 PWs) bands (ev): -15.4874 -15.4874 -15.0508 -15.0508 -14.8540 -14.8540 -14.0775 -14.0775 -13.7817 -13.7817 -13.6172 -13.6172 -5.9600 -5.9600 -4.3721 -4.3721 -3.0854 -3.0854 -2.5925 -2.5925 -1.2714 -1.2714 -1.1853 -1.1853 -0.4090 -0.4090 -0.2625 -0.2625 0.0681 0.0681 0.4591 0.4591 0.9496 0.9496 1.0869 1.0869 1.8551 1.8551 2.8045 2.8045 2.8480 2.8480 3.0754 3.0754 3.1080 3.1080 3.3624 3.3624 3.9852 3.9852 8.0467 8.0467 9.8377 9.8377 10.7362 10.7362 12.0840 12.0840 12.2930 12.2930 k = 0.5000 0.3468 0.1792 ( 4102 PWs) bands (ev): -15.4874 -15.4874 -15.0508 -15.0508 -14.8540 -14.8540 -14.0775 -14.0775 -13.7817 -13.7817 -13.6172 -13.6172 -5.9600 -5.9600 -4.3721 -4.3721 -3.0854 -3.0854 -2.5925 -2.5925 -1.2714 -1.2714 -1.1853 -1.1853 -0.4090 -0.4090 -0.2625 -0.2625 0.0681 0.0681 0.4591 0.4591 0.9496 0.9496 1.0869 1.0869 1.8551 1.8551 2.8045 2.8045 2.8480 2.8480 3.0754 3.0754 3.1080 3.1080 3.3624 3.3624 3.9852 3.9852 8.0467 8.0467 9.8377 9.8377 10.7362 10.7362 12.0840 12.0840 12.2930 12.2930 k = 0.5075 0.3360 0.1792 ( 4100 PWs) bands (ev): -15.4882 -15.4878 -15.0509 -15.0509 -14.8535 -14.8533 -14.0777 -14.0776 -13.7815 -13.7813 -13.6172 -13.6170 -5.9598 -5.9598 -4.3736 -4.3713 -3.0859 -3.0842 -2.5924 -2.5922 -1.2728 -1.2725 -1.1904 -1.1819 -0.4115 -0.4085 -0.2635 -0.2631 0.0661 0.0721 0.4590 0.4594 0.9486 0.9534 1.0887 1.0887 1.8562 1.8567 2.8031 2.8034 2.8483 2.8483 3.0677 3.0803 3.1035 3.1162 3.3620 3.3621 3.9841 3.9845 8.0356 8.0593 9.8342 9.8415 10.7352 10.7367 12.0822 12.0829 12.2918 12.2918 k = 0.5151 0.3251 0.1792 ( 4090 PWs) bands (ev): -15.4904 -15.4896 -15.0511 -15.0511 -14.8518 -14.8514 -14.0781 -14.0781 -13.7806 -13.7803 -13.6169 -13.6166 -5.9593 -5.9592 -4.3757 -4.3711 -3.0858 -3.0823 -2.5920 -2.5916 -1.2766 -1.2760 -1.1971 -1.1801 -0.4159 -0.4101 -0.2662 -0.2654 0.0662 0.0781 0.4590 0.4599 0.9504 0.9600 1.0938 1.0938 1.8599 1.8610 2.7991 2.7997 2.8492 2.8492 3.0594 3.0782 3.1067 3.1256 3.3608 3.3609 3.9813 3.9820 8.0261 8.0737 9.8310 9.8455 10.7337 10.7367 12.0777 12.0790 12.2884 12.2884 k = 0.5226 0.3142 0.1792 ( 4094 PWs) bands (ev): -15.4938 -15.4925 -15.0515 -15.0515 -14.8490 -14.8484 -14.0789 -14.0788 -13.7792 -13.7786 -13.6163 -13.6159 -5.9583 -5.9582 -4.3783 -4.3716 -3.0850 -3.0798 -2.5914 -2.5908 -1.2829 -1.2820 -1.2052 -1.1800 -0.4222 -0.4137 -0.2703 -0.2693 0.0682 0.0860 0.4592 0.4605 0.9550 0.9694 1.1021 1.1022 1.8663 1.8678 2.7927 2.7935 2.8508 2.8508 3.0514 3.0718 3.1149 3.1355 3.3588 3.3589 3.9766 3.9777 8.0182 8.0896 9.8281 9.8498 10.7315 10.7362 12.0703 12.0724 12.2827 12.2828 k = 0.5302 0.3033 0.1792 ( 4096 PWs) bands (ev): -15.4984 -15.4968 -15.0521 -15.0521 -14.8450 -14.8442 -14.0800 -14.0798 -13.7771 -13.7764 -13.6156 -13.6150 -5.9570 -5.9569 -4.3816 -4.3727 -3.0835 -3.0768 -2.5905 -2.5897 -1.2915 -1.2903 -1.2146 -1.1815 -0.4303 -0.4192 -0.2759 -0.2745 0.0722 0.0958 0.4596 0.4613 0.9623 0.9813 1.1135 1.1136 1.8753 1.8773 2.7839 2.7849 2.8530 2.8531 3.0439 3.0644 3.1246 3.1456 3.3561 3.3562 3.9703 3.9717 8.0119 8.1070 9.8256 9.8543 10.7288 10.7353 12.0601 12.0631 12.2749 12.2751 k = 0.5377 0.2925 0.1792 ( 4096 PWs) bands (ev): -15.5041 -15.5022 -15.0529 -15.0529 -14.8400 -14.8390 -14.0813 -14.0811 -13.7745 -13.7736 -13.6146 -13.6139 -5.9553 -5.9552 -4.3855 -4.3745 -3.0814 -3.0732 -2.5893 -2.5884 -1.3023 -1.3008 -1.2251 -1.1844 -0.4399 -0.4266 -0.2825 -0.2810 0.0782 0.1073 0.4601 0.4622 0.9721 0.9958 1.1277 1.1278 1.8869 1.8893 2.7729 2.7740 2.8559 2.8560 3.0370 3.0571 3.1348 3.1556 3.3525 3.3526 3.9622 3.9640 8.0070 8.1259 9.8233 9.8592 10.7254 10.7341 12.0474 12.0514 12.2652 12.2653 k = 0.5452 0.2816 0.1792 ( 4096 PWs) bands (ev): -15.5111 -15.5088 -15.0539 -15.0538 -14.8338 -14.8327 -14.0828 -14.0826 -13.7713 -13.7702 -13.6133 -13.6125 -5.9532 -5.9530 -4.3899 -4.3769 -3.0786 -3.0692 -2.5881 -2.5870 -1.3153 -1.3136 -1.2364 -1.1887 -0.4509 -0.4358 -0.2901 -0.2886 0.0858 0.1204 0.4608 0.4633 0.9843 1.0127 1.1442 1.1442 1.9009 1.9039 2.7599 2.7611 2.8593 2.8595 3.0306 3.0500 3.1451 3.1655 3.3481 3.3483 3.9525 3.9546 8.0035 8.1463 9.8215 9.8644 10.7215 10.7326 12.0321 12.0372 12.2536 12.2537 k = 0.5528 0.2707 0.1792 ( 4098 PWs) bands (ev): -15.5190 -15.5165 -15.0551 -15.0550 -14.8267 -14.8255 -14.0845 -14.0842 -13.7677 -13.7664 -13.6119 -13.6110 -5.9506 -5.9504 -4.3949 -4.3800 -3.0753 -3.0649 -2.5868 -2.5856 -1.3304 -1.3284 -1.2484 -1.1941 -0.4632 -0.4465 -0.2983 -0.2969 0.0952 0.1348 0.4617 0.4644 0.9987 1.0317 1.1627 1.1628 1.9174 1.9208 2.7450 2.7463 2.8634 2.8636 3.0247 3.0432 3.1553 3.1752 3.3430 3.3432 3.9412 3.9436 8.0013 8.1679 9.8200 9.8698 10.7168 10.7309 12.0146 12.0209 12.2403 12.2404 k = 0.5603 0.2599 0.1792 ( 4098 PWs) bands (ev): -15.5280 -15.5252 -15.0565 -15.0563 -14.8186 -14.8173 -14.0862 -14.0860 -13.7636 -13.7621 -13.6102 -13.6092 -5.9476 -5.9474 -4.4003 -4.3837 -3.0714 -3.0602 -2.5856 -2.5842 -1.3473 -1.3452 -1.2608 -1.2003 -0.4764 -0.4584 -0.3069 -0.3058 0.1060 0.1504 0.4626 0.4656 1.0151 1.0527 1.1829 1.1830 1.9362 1.9399 2.7286 2.7300 2.8681 2.8684 3.0193 3.0368 3.1653 3.1846 3.3371 3.3373 3.9285 3.9311 8.0003 8.1906 9.8191 9.8756 10.7116 10.7290 11.9949 12.0026 12.2255 12.2256 k = 0.5679 0.2490 0.1792 ( 4098 PWs) bands (ev): -15.5380 -15.5349 -15.0581 -15.0579 -14.8096 -14.8083 -14.0880 -14.0878 -13.7590 -13.7575 -13.6083 -13.6072 -5.9441 -5.9438 -4.4063 -4.3881 -3.0670 -3.0552 -2.5844 -2.5829 -1.3660 -1.3637 -1.2733 -1.2073 -0.4904 -0.4713 -0.3158 -0.3151 0.1181 0.1670 0.4636 0.4667 1.0334 1.0754 1.2045 1.2046 1.9570 1.9612 2.7108 2.7122 2.8734 2.8737 3.0143 3.0307 3.1749 3.1936 3.3304 3.3307 3.9143 3.9172 8.0003 8.2144 9.8186 9.8817 10.7057 10.7271 11.9733 11.9825 12.2095 12.2095 k = 0.5754 0.2381 0.1792 ( 4094 PWs) bands (ev): -15.5488 -15.5455 -15.0599 -15.0598 -14.7997 -14.7984 -14.0898 -14.0896 -13.7541 -13.7524 -13.6062 -13.6050 -5.9402 -5.9398 -4.4128 -4.3932 -3.0621 -3.0502 -2.5835 -2.5819 -1.3863 -1.3839 -1.2857 -1.2147 -0.5048 -0.4848 -0.3247 -0.3245 0.1313 0.1844 0.4645 0.4678 1.0532 1.0996 1.2272 1.2273 1.9799 1.9844 2.6918 2.6934 2.8792 2.8796 3.0095 3.0249 3.1842 3.2022 3.3231 3.3233 3.8989 3.9020 8.0012 8.2391 9.8186 9.8881 10.6992 10.7252 11.9502 11.9609 12.1923 12.1923 k = 0.5829 0.2272 0.1792 ( 4094 PWs) bands (ev): -15.5605 -15.5570 -15.0620 -15.0618 -14.7890 -14.7877 -14.0916 -14.0913 -13.7489 -13.7471 -13.6039 -13.6026 -5.9357 -5.9353 -4.4197 -4.3988 -3.0570 -3.0450 -2.5830 -2.5813 -1.4081 -1.4056 -1.2978 -1.2223 -0.5193 -0.4987 -0.3339 -0.3334 0.1454 0.2025 0.4653 0.4688 1.0743 1.1250 1.2507 1.2508 2.0045 2.0093 2.6719 2.6737 2.8856 2.8861 3.0050 3.0193 3.1930 3.2103 3.3150 3.3152 3.8822 3.8856 8.0029 8.2644 9.8192 9.8947 10.6921 10.7234 11.9258 11.9379 12.1741 12.1742 k = 0.5905 0.2164 0.1792 ( 4098 PWs) bands (ev): -15.5729 -15.5692 -15.0644 -15.0642 -14.7776 -14.7764 -14.0932 -14.0929 -13.7434 -13.7414 -13.6014 -13.6001 -5.9307 -5.9303 -4.4271 -4.4051 -3.0515 -3.0399 -2.5830 -2.5811 -1.4312 -1.4287 -1.3094 -1.2299 -0.5337 -0.5125 -0.3431 -0.3418 0.1603 0.2209 0.4660 0.4696 1.0966 1.1514 1.2749 1.2751 2.0305 2.0356 2.6513 2.6533 2.8926 2.8931 3.0008 3.0139 3.2013 3.2179 3.3062 3.3064 3.8645 3.8680 8.0053 8.2902 9.8204 9.9016 10.6844 10.7218 11.9003 11.9140 12.1552 12.1554 k = 0.5980 0.2055 0.1792 ( 4094 PWs) bands (ev): -15.5860 -15.5822 -15.0670 -15.0668 -14.7655 -14.7643 -14.0947 -14.0944 -13.7376 -13.7356 -13.5987 -13.5974 -5.9251 -5.9247 -4.4350 -4.4119 -3.0457 -3.0349 -2.5835 -2.5816 -1.4555 -1.4529 -1.3203 -1.2373 -0.5477 -0.5261 -0.3519 -0.3498 0.1757 0.2396 0.4665 0.4702 1.1196 1.1786 1.2994 1.2998 2.0577 2.0631 2.6302 2.6324 2.9000 2.9006 2.9966 3.0087 3.2091 3.2250 3.2968 3.2970 3.8458 3.8495 8.0082 8.3164 9.8221 9.9088 10.6761 10.7206 11.8742 11.8893 12.1358 12.1360 k = 0.6056 0.1946 0.1792 ( 4088 PWs) bands (ev): -15.5997 -15.5958 -15.0700 -15.0697 -14.7527 -14.7517 -14.0959 -14.0957 -13.7316 -13.7295 -13.5959 -13.5945 -5.9189 -5.9184 -4.4432 -4.4194 -3.0399 -3.0301 -2.5846 -2.5827 -1.4808 -1.4782 -1.3302 -1.2443 -0.5611 -0.5390 -0.3601 -0.3572 0.1915 0.2583 0.4667 0.4705 1.1432 1.2063 1.3244 1.3248 2.0857 2.0914 2.6088 2.6112 2.9080 2.9087 2.9926 3.0036 3.2164 3.2315 3.2867 3.2870 3.8263 3.8302 8.0114 8.3426 9.8245 9.9160 10.6674 10.7198 11.8476 11.8640 12.1160 12.1163 k = 0.6131 0.1838 0.1792 ( 4084 PWs) bands (ev): -15.6140 -15.6101 -15.0732 -15.0730 -14.7393 -14.7384 -14.0969 -14.0967 -13.7254 -13.7232 -13.5929 -13.5915 -5.9121 -5.9116 -4.4518 -4.4273 -3.0339 -3.0255 -2.5866 -2.5846 -1.5070 -1.5044 -1.3392 -1.2507 -0.5736 -0.5512 -0.3678 -0.3640 0.2074 0.2770 0.4667 0.4705 1.1670 1.2343 1.3495 1.3501 2.1142 2.1201 2.5873 2.5900 2.9164 2.9173 2.9887 2.9986 3.2230 3.2373 3.2763 3.2765 3.8061 3.8100 8.0148 8.3687 9.8273 9.9233 10.6582 10.7196 11.8210 11.8385 12.0961 12.0964 k = 0.6206 0.1729 0.1792 ( 4086 PWs) bands (ev): -15.6289 -15.6249 -15.0768 -15.0765 -14.7253 -14.7246 -14.0977 -14.0974 -13.7191 -13.7168 -13.5898 -13.5884 -5.9047 -5.9042 -4.4608 -4.4359 -3.0280 -3.0213 -2.5894 -2.5874 -1.5339 -1.5314 -1.3469 -1.2564 -0.5850 -0.5623 -0.3747 -0.3699 0.2233 0.2955 0.4665 0.4703 1.1910 1.2622 1.3747 1.3755 2.1429 2.1490 2.5660 2.5690 2.9253 2.9263 2.9849 2.9937 3.2286 3.2420 3.2656 3.2662 3.7853 3.7893 8.0182 8.3944 9.8306 9.9304 10.6488 10.7201 11.7947 11.8130 12.0761 12.0764 k = 0.6282 0.1620 0.1792 ( 4082 PWs) bands (ev): -15.6442 -15.6402 -15.0807 -15.0804 -14.7109 -14.7104 -14.0980 -14.0978 -13.7127 -13.7103 -13.5866 -13.5852 -5.8966 -5.8961 -4.4702 -4.4449 -3.0220 -3.0174 -2.5931 -2.5911 -1.5615 -1.5590 -1.3534 -1.2612 -0.5953 -0.5723 -0.3807 -0.3750 0.2390 0.3136 0.4661 0.4698 1.2147 1.2900 1.3999 1.4009 2.1713 2.1776 2.5450 2.5482 2.9347 2.9358 2.9812 2.9889 3.2326 3.2432 3.2555 3.2581 3.7641 3.7682 8.0216 8.4195 9.8342 9.9375 10.6392 10.7214 11.7688 11.7876 12.0563 12.0566 k = 0.6357 0.1511 0.1792 ( 4084 PWs) bands (ev): -15.6600 -15.6559 -15.0849 -15.0846 -14.6959 -14.6956 -14.0981 -14.0979 -13.7061 -13.7037 -13.5832 -13.5818 -5.8879 -5.8873 -4.4799 -4.4544 -3.0162 -3.0139 -2.5978 -2.5959 -1.5896 -1.5872 -1.3586 -1.2652 -0.6043 -0.5809 -0.3858 -0.3791 0.2544 0.3313 0.4655 0.4692 1.2380 1.3172 1.4251 1.4264 2.1992 2.2056 2.5245 2.5280 2.9443 2.9456 2.9776 2.9843 3.2315 3.2361 3.2496 3.2574 3.7426 3.7468 8.0247 8.4437 9.8380 9.9441 10.6297 10.7236 11.7438 11.7627 12.0368 12.0371 k = 0.6433 0.1403 0.1792 ( 4084 PWs) bands (ev): -15.6762 -15.6720 -15.0895 -15.0892 -14.6805 -14.6804 -14.0977 -14.0975 -13.6996 -13.6971 -13.5798 -13.5784 -5.8784 -5.8778 -4.4899 -4.4644 -3.0109 -3.0106 -2.6036 -2.6016 -1.6181 -1.6159 -1.3624 -1.2681 -0.6119 -0.5882 -0.3898 -0.3821 0.2692 0.3483 0.4648 0.4686 1.2606 1.3438 1.4501 1.4517 2.2260 2.2326 2.5048 2.5085 2.9543 2.9558 2.9743 2.9799 3.2229 3.2246 3.2503 3.2602 3.7209 3.7252 8.0274 8.4670 9.8417 9.9503 10.6204 10.7268 11.7198 11.7385 12.0178 12.0180 k = 0.6508 0.1294 0.1792 ( 4074 PWs) bands (ev): -15.6926 -15.6885 -15.0944 -15.0941 -14.6648 -14.6646 -14.0969 -14.0967 -13.6929 -13.6905 -13.5763 -13.5750 -5.8683 -5.8677 -4.5002 -4.4747 -3.0084 -3.0052 -2.6103 -2.6084 -1.6469 -1.6448 -1.3647 -1.2699 -0.6181 -0.5940 -0.3927 -0.3840 0.2835 0.3647 0.4641 0.4679 1.2824 1.3696 1.4750 1.4769 2.2515 2.2583 2.4860 2.4899 2.9638 2.9652 2.9721 2.9763 3.2112 3.2120 3.2533 3.2633 3.6993 3.7036 8.0297 8.4889 9.8453 9.9559 10.6117 10.7312 11.6970 11.7150 11.9994 11.9996 k = 0.6583 0.1185 0.1792 ( 4078 PWs) bands (ev): -15.7094 -15.7053 -15.0997 -15.0993 -14.6489 -14.6484 -14.0956 -14.0955 -13.6863 -13.6838 -13.5727 -13.5714 -5.8574 -5.8568 -4.5108 -4.4855 -3.0063 -3.0000 -2.6181 -2.6163 -1.6760 -1.6740 -1.3657 -1.2707 -0.6229 -0.5985 -0.3944 -0.3847 0.2970 0.3803 0.4636 0.4674 1.3031 1.3942 1.4994 1.5018 2.2752 2.2821 2.4685 2.4724 2.9661 2.9679 2.9787 2.9790 3.1986 3.1989 3.2564 3.2661 3.6777 3.6821 8.0314 8.5093 9.8484 9.9607 10.6037 10.7366 11.6757 11.6926 11.9818 11.9819 k = 0.3417-0.4925 0.3468 ( 4078 PWs) bands (ev): -15.7094 -15.7053 -15.0997 -15.0993 -14.6489 -14.6484 -14.0956 -14.0955 -13.6863 -13.6838 -13.5727 -13.5714 -5.8574 -5.8568 -4.5108 -4.4855 -3.0063 -3.0000 -2.6181 -2.6163 -1.6760 -1.6740 -1.3657 -1.2707 -0.6229 -0.5985 -0.3944 -0.3847 0.2970 0.3803 0.4636 0.4674 1.3031 1.3942 1.4994 1.5018 2.2752 2.2821 2.4685 2.4724 2.9661 2.9679 2.9787 2.9790 3.1986 3.1989 3.2564 3.2661 3.6777 3.6821 8.0314 8.5093 9.8484 9.9607 10.6037 10.7366 11.6757 11.6926 11.9818 11.9819 k = 0.3339-0.4813 0.3468 ( 4074 PWs) bands (ev): -15.7270 -15.7229 -15.1055 -15.1051 -14.6321 -14.6313 -14.0939 -14.0938 -13.6795 -13.6769 -13.5690 -13.5678 -5.8455 -5.8448 -4.5219 -4.4970 -3.0048 -2.9950 -2.6272 -2.6254 -1.7060 -1.7042 -1.3652 -1.2704 -0.6265 -0.6018 -0.3948 -0.3839 0.3100 0.3953 0.4633 0.4671 1.3231 1.4183 1.5242 1.5270 2.2973 2.3043 2.4519 2.4559 2.9631 2.9648 2.9885 2.9901 3.1854 3.1855 3.2594 3.2687 3.6558 3.6602 8.0323 8.5286 9.8507 9.9647 10.5966 10.7435 11.6553 11.6708 11.9645 11.9646 k = 0.3261-0.4702 0.3468 ( 4074 PWs) bands (ev): -15.7448 -15.7407 -15.1117 -15.1113 -14.6149 -14.6139 -14.0916 -14.0915 -13.6727 -13.6701 -13.5652 -13.5641 -5.8327 -5.8321 -4.5333 -4.5088 -3.0037 -2.9904 -2.6373 -2.6356 -1.7362 -1.7345 -1.3633 -1.2689 -0.6287 -0.6038 -0.3938 -0.3818 0.3219 0.4092 0.4636 0.4674 1.3416 1.4408 1.5485 1.5518 2.3166 2.3238 2.4372 2.4411 2.9600 2.9608 2.9994 3.0016 3.1722 3.1727 3.2619 3.2707 3.6343 3.6388 8.0325 8.5458 9.8519 9.9676 10.5910 10.7515 11.6369 11.6503 11.9483 11.9483 k = 0.3184-0.4590 0.3468 ( 4072 PWs) bands (ev): -15.7627 -15.7587 -15.1183 -15.1179 -14.5975 -14.5961 -14.0889 -14.0888 -13.6660 -13.6634 -13.5615 -13.5604 -5.8193 -5.8186 -4.5449 -4.5210 -3.0031 -2.9860 -2.6484 -2.6468 -1.7663 -1.7648 -1.3600 -1.2664 -0.6297 -0.6046 -0.3914 -0.3781 0.3327 0.4217 0.4647 0.4682 1.3584 1.4617 1.5721 1.5759 2.3326 2.3398 2.4248 2.4285 2.9568 2.9570 3.0100 3.0129 3.1596 3.1606 3.2639 3.2722 3.6134 3.6179 8.0316 8.5607 9.8518 9.9694 10.5871 10.7606 11.6203 11.6315 11.9332 11.9333 k = 0.3106-0.4478 0.3468 ( 4072 PWs) bands (ev): -15.7808 -15.7769 -15.1252 -15.1248 -14.5798 -14.5781 -14.0856 -14.0855 -13.6593 -13.6567 -13.5577 -13.5568 -5.8050 -5.8043 -4.5567 -4.5334 -3.0030 -2.9821 -2.6604 -2.6589 -1.7963 -1.7950 -1.3555 -1.2629 -0.6297 -0.6043 -0.3875 -0.3730 0.3422 0.4326 0.4670 0.4699 1.3736 1.4809 1.5948 1.5992 2.3445 2.3516 2.4153 2.4188 2.9530 2.9541 3.0196 3.0232 3.1482 3.1500 3.2653 3.2733 3.5931 3.5977 8.0298 8.5733 9.8500 9.9699 10.5851 10.7705 11.6058 11.6144 11.9194 11.9196 k = 0.3028-0.4366 0.3468 ( 4078 PWs) bands (ev): -15.7990 -15.7952 -15.1325 -15.1320 -14.5618 -14.5598 -14.0819 -14.0818 -13.6527 -13.6501 -13.5540 -13.5532 -5.7900 -5.7893 -4.5686 -4.5460 -3.0033 -2.9785 -2.6731 -2.6718 -1.8263 -1.8251 -1.3499 -1.2584 -0.6287 -0.6033 -0.3821 -0.3662 0.3504 0.4417 0.4708 0.4725 1.3869 1.4983 1.6165 1.6215 2.3515 2.3583 2.4095 2.4130 2.9493 2.9514 3.0272 3.0317 3.1392 3.1418 3.2663 3.2738 3.5736 3.5783 8.0269 8.5832 9.8465 9.9692 10.5852 10.7810 11.5934 11.5993 11.9070 11.9074 k = 0.2951-0.4254 0.3468 ( 4080 PWs) bands (ev): -15.8173 -15.8135 -15.1401 -15.1396 -14.5436 -14.5413 -14.0776 -14.0775 -13.6462 -13.6436 -13.5503 -13.5496 -5.7742 -5.7735 -4.5807 -4.5588 -3.0040 -2.9752 -2.6866 -2.6854 -1.8560 -1.8550 -1.3432 -1.2530 -0.6271 -0.6016 -0.3753 -0.3579 0.3574 0.4491 0.4761 0.4763 1.3984 1.5139 1.6370 1.6427 2.3536 2.3598 2.4075 2.4111 2.9458 2.9489 3.0315 3.0369 3.1338 3.1372 3.2667 3.2738 3.5551 3.5599 8.0228 8.5904 9.8411 9.9673 10.5872 10.7917 11.5831 11.5861 11.8961 11.8966 k = 0.2873-0.4142 0.3468 ( 4082 PWs) bands (ev): -15.8356 -15.8319 -15.1480 -15.1475 -14.5252 -14.5225 -14.0728 -14.0728 -13.6399 -13.6373 -13.5466 -13.5461 -5.7577 -5.7569 -4.5928 -4.5718 -3.0050 -2.9723 -2.7007 -2.6997 -1.8854 -1.8845 -1.3356 -1.2469 -0.6249 -0.5995 -0.3670 -0.3480 0.3632 0.4553 0.4811 0.4825 1.4081 1.5276 1.6560 1.6626 2.3521 2.3575 2.4078 2.4116 2.9426 2.9466 3.0315 3.0374 3.1334 3.1373 3.2665 3.2734 3.5376 3.5424 8.0176 8.5947 9.8340 9.9643 10.5911 10.8023 11.5750 11.5751 11.8867 11.8873 k = 0.2795-0.4030 0.3468 ( 4080 PWs) bands (ev): -15.8539 -15.8502 -15.1562 -15.1557 -14.5066 -14.5036 -14.0676 -14.0676 -13.6336 -13.6310 -13.5431 -13.5428 -5.7404 -5.7397 -4.6050 -4.5849 -3.0063 -2.9697 -2.7154 -2.7144 -1.9145 -1.9138 -1.3271 -1.2401 -0.6223 -0.5971 -0.3572 -0.3365 0.3679 0.4609 0.4873 0.4896 1.4160 1.5397 1.6733 1.6808 2.3491 2.3537 2.4087 2.4126 2.9396 2.9446 3.0271 3.0331 3.1381 3.1421 3.2659 3.2725 3.5212 3.5262 8.0112 8.5960 9.8254 9.9601 10.5965 10.8124 11.5664 11.5690 11.8790 11.8797 k = 0.2718-0.3918 0.3468 ( 4082 PWs) bands (ev): -15.8721 -15.8685 -15.1647 -15.1641 -14.4879 -14.4845 -14.0619 -14.0619 -13.6275 -13.6250 -13.5396 -13.5395 -5.7225 -5.7217 -4.6173 -4.5980 -3.0078 -2.9674 -2.7304 -2.7296 -1.9433 -1.9427 -1.3180 -1.2327 -0.6196 -0.5947 -0.3461 -0.3236 0.3716 0.4664 0.4946 0.4969 1.4222 1.5500 1.6886 1.6972 2.3457 2.3496 2.4091 2.4128 2.9369 2.9427 3.0192 3.0249 3.1467 3.1505 3.2648 3.2712 3.5060 3.5111 8.0037 8.5943 9.8154 9.9550 10.6032 10.8215 11.5599 11.5651 11.8729 11.8738 k = 0.2640-0.3806 0.3468 ( 4080 PWs) bands (ev): -15.8902 -15.8868 -15.1734 -15.1728 -14.4690 -14.4653 -14.0558 -14.0558 -13.6216 -13.6191 -13.5363 -13.5363 -5.7039 -5.7031 -4.6296 -4.6112 -3.0094 -2.9653 -2.7457 -2.7451 -1.9717 -1.9711 -1.3083 -1.2248 -0.6169 -0.5924 -0.3337 -0.3092 0.3744 0.4719 0.5032 0.5045 1.4267 1.5588 1.7015 1.7114 2.3427 2.3460 2.4085 2.4120 2.9344 2.9411 3.0090 3.0143 3.1578 3.1613 3.2632 3.2695 3.4920 3.4973 7.9949 8.5894 9.8044 9.9490 10.6106 10.8292 11.5558 11.5631 11.8684 11.8695 k = 0.2562-0.3694 0.3468 ( 4078 PWs) bands (ev): -15.9083 -15.9049 -15.1823 -15.1817 -14.4500 -14.4461 -14.0493 -14.0492 -13.6158 -13.6133 -13.5333 -13.5330 -5.6846 -5.6838 -4.6418 -4.6244 -3.0112 -2.9636 -2.7613 -2.7608 -1.9996 -1.9991 -1.2981 -1.2166 -0.6144 -0.5902 -0.3201 -0.2936 0.3764 0.4771 0.5128 0.5132 1.4297 1.5661 1.7117 1.7232 2.3403 2.3430 2.4072 2.4102 2.9321 2.9397 2.9973 3.0021 3.1700 3.1734 3.2611 3.2675 3.4794 3.4848 7.9850 8.5814 9.7926 9.9423 10.6183 10.8352 11.5538 11.5630 11.8657 11.8669 k = 0.2485-0.3582 0.3468 ( 4076 PWs) bands (ev): -15.9261 -15.9228 -15.1914 -15.1908 -14.4310 -14.4267 -14.0423 -14.0423 -13.6102 -13.6078 -13.5304 -13.5300 -5.6648 -5.6640 -4.6539 -4.6375 -3.0130 -2.9620 -2.7769 -2.7766 -2.0270 -2.0266 -1.2876 -1.2079 -0.6120 -0.5883 -0.3054 -0.2767 0.3778 0.4817 0.5222 0.5245 1.4313 1.5721 1.7189 1.7322 2.3385 2.3406 2.4052 2.4077 2.9300 2.9385 2.9847 2.9890 3.1828 3.1861 3.2587 3.2652 3.4682 3.4737 7.9739 8.5702 9.7805 9.9348 10.6260 10.8391 11.5538 11.5645 11.8646 11.8660 k = 0.2407-0.3470 0.3468 ( 4078 PWs) bands (ev): -15.9438 -15.9406 -15.2006 -15.2001 -14.4120 -14.4074 -14.0350 -14.0350 -13.6048 -13.6024 -13.5277 -13.5271 -5.6444 -5.6436 -4.6660 -4.6505 -3.0147 -2.9606 -2.7926 -2.7925 -2.0538 -2.0535 -1.2767 -1.1990 -0.6100 -0.5868 -0.2899 -0.2588 0.3786 0.4853 0.5331 0.5371 1.4315 1.5769 1.7227 1.7381 2.3373 2.3390 2.4031 2.4049 2.9279 2.9375 2.9718 2.9753 3.1954 3.1988 3.2559 3.2626 3.4583 3.4641 7.9618 8.5560 9.7683 9.9268 10.6331 10.8409 11.5556 11.5674 11.8652 11.8667 k = 0.2329-0.3358 0.3468 ( 4082 PWs) bands (ev): -15.9613 -15.9582 -15.2100 -15.2094 -14.3929 -14.3880 -14.0274 -14.0274 -13.5996 -13.5972 -13.5252 -13.5243 -5.6235 -5.6227 -4.6780 -4.6634 -3.0165 -2.9595 -2.8083 -2.8083 -2.0801 -2.0798 -1.2656 -1.1899 -0.6083 -0.5855 -0.2737 -0.2401 0.3791 0.4878 0.5458 0.5510 1.4305 1.5806 1.7229 1.7407 2.3367 2.3379 2.4012 2.4024 2.9256 2.9366 2.9591 2.9613 3.2075 3.2111 3.2530 3.2601 3.4500 3.4559 7.9486 8.5388 9.7562 9.9183 10.6394 10.8405 11.5588 11.5713 11.8674 11.8691 k = 0.2252-0.3246 0.3468 ( 4078 PWs) bands (ev): -15.9785 -15.9755 -15.2195 -15.2189 -14.3739 -14.3687 -14.0195 -14.0195 -13.5946 -13.5922 -13.5229 -13.5218 -5.6022 -5.6014 -4.6897 -4.6762 -3.0181 -2.9584 -2.8241 -2.8239 -2.1058 -2.1056 -1.2544 -1.1807 -0.6069 -0.5846 -0.2570 -0.2208 0.3793 0.4893 0.5600 0.5661 1.4282 1.5831 1.7194 1.7398 2.3364 2.3374 2.4001 2.4004 2.9220 2.9355 2.9474 2.9474 3.2184 3.2225 3.2501 3.2580 3.4431 3.4491 7.9345 8.5188 9.7444 9.9095 10.6447 10.8378 11.5629 11.5760 11.8710 11.8729 k = 0.2174-0.3134 0.3468 ( 4082 PWs) bands (ev): -15.9954 -15.9926 -15.2290 -15.2284 -14.3549 -14.3494 -14.0114 -14.0114 -13.5898 -13.5875 -13.5207 -13.5195 -5.5804 -5.5797 -4.7014 -4.6887 -3.0196 -2.9576 -2.8396 -2.8393 -2.1309 -2.1306 -1.2430 -1.1713 -0.6057 -0.5839 -0.2401 -0.2011 0.3795 0.4899 0.5758 0.5824 1.4248 1.5844 1.7121 1.7354 2.3365 2.3372 2.3995 2.4001 2.9153 2.9295 2.9383 2.9389 3.2270 3.2316 3.2484 3.2571 3.4377 3.4438 7.9195 8.4961 9.7331 9.9003 10.6487 10.8331 11.5676 11.5808 11.8761 11.8782 k = 0.2096-0.3022 0.3468 ( 4082 PWs) bands (ev): -16.0121 -16.0093 -15.2386 -15.2380 -14.3360 -14.3303 -14.0030 -14.0030 -13.5852 -13.5830 -13.5188 -13.5173 -5.5584 -5.5576 -4.7128 -4.7010 -3.0210 -2.9568 -2.8550 -2.8544 -2.1553 -2.1550 -1.2315 -1.1618 -0.6047 -0.5834 -0.2233 -0.1813 0.3798 0.4900 0.5929 0.5997 1.4201 1.5844 1.7012 1.7275 2.3366 2.3373 2.4000 2.4015 2.9046 2.9156 2.9344 2.9370 3.2319 3.2348 3.2515 3.2588 3.4339 3.4400 7.9038 8.4709 9.7224 9.8908 10.6515 10.8264 11.5723 11.5856 11.8825 11.8848 k = 0.2019-0.2910 0.3468 ( 4080 PWs) bands (ev): -16.0283 -16.0257 -15.2481 -15.2475 -14.3172 -14.3112 -13.9944 -13.9944 -13.5808 -13.5787 -13.5171 -13.5154 -5.5360 -5.5353 -4.7239 -4.7131 -3.0222 -2.9562 -2.8701 -2.8694 -2.1790 -2.1787 -1.2201 -1.1522 -0.6038 -0.5829 -0.2068 -0.1616 0.3806 0.4897 0.6109 0.6178 1.4142 1.5827 1.6874 1.7165 2.3367 2.3375 2.4021 2.4045 2.8914 2.9006 2.9326 2.9369 3.2325 3.2325 3.2589 3.2638 3.4315 3.4376 7.8873 8.4434 9.7124 9.8811 10.6529 10.8181 11.5766 11.5899 11.8901 11.8925 k = 0.1941-0.2799 0.3468 ( 4076 PWs) bands (ev): -16.0443 -16.0417 -15.2576 -15.2570 -14.2985 -14.2924 -13.9857 -13.9857 -13.5767 -13.5746 -13.5157 -13.5138 -5.5135 -5.5128 -4.7348 -4.7248 -3.0232 -2.9556 -2.8850 -2.8840 -2.2020 -2.2017 -1.2086 -1.1426 -0.6028 -0.5822 -0.1910 -0.1424 0.3820 0.4893 0.6298 0.6364 1.4068 1.5784 1.6717 1.7027 2.3367 2.3377 2.4059 2.4092 2.8772 2.8854 2.9320 2.9370 3.2286 3.2303 3.2667 3.2703 3.4306 3.4366 7.8704 8.4139 9.7031 9.8713 10.6530 10.8082 11.5801 11.5932 11.8988 11.9014 k = 0.1864-0.2687 0.3468 ( 4076 PWs) bands (ev): -16.0598 -16.0573 -15.2670 -15.2664 -14.2801 -14.2737 -13.9769 -13.9768 -13.5728 -13.5707 -13.5144 -13.5124 -5.4908 -5.4901 -4.7454 -4.7363 -3.0240 -2.9552 -2.8995 -2.8983 -2.2242 -2.2239 -1.1971 -1.1330 -0.6016 -0.5813 -0.1762 -0.1239 0.3842 0.4891 0.6490 0.6554 1.3978 1.5704 1.6558 1.6869 2.3365 2.3377 2.4113 2.4154 2.8625 2.8700 2.9320 2.9374 3.2240 3.2268 3.2738 3.2769 3.4310 3.4368 7.8529 8.3826 9.6944 9.8613 10.6519 10.7972 11.5825 11.5954 11.9083 11.9111 k = 0.1786-0.2575 0.3468 ( 4076 PWs) bands (ev): -16.0749 -16.0725 -15.2763 -15.2757 -14.2619 -14.2553 -13.9680 -13.9679 -13.5691 -13.5671 -13.5134 -13.5112 -5.4681 -5.4674 -4.7557 -4.7474 -3.0246 -2.9549 -2.9136 -2.9122 -2.2458 -2.2454 -1.1856 -1.1234 -0.6000 -0.5800 -0.1626 -0.1065 0.3876 0.4893 0.6684 0.6744 1.3870 1.5569 1.6418 1.6696 2.3361 2.3376 2.4182 2.4231 2.8477 2.8547 2.9325 2.9379 3.2190 3.2226 3.2801 3.2831 3.4327 3.4383 7.8352 8.3497 9.6864 9.8512 10.6497 10.7853 11.5835 11.5960 11.9187 11.9216 k = 0.1708-0.2463 0.3468 ( 4076 PWs) bands (ev): -16.0895 -16.0872 -15.2855 -15.2849 -14.2439 -14.2372 -13.9590 -13.9590 -13.5656 -13.5637 -13.5127 -13.5102 -5.4454 -5.4447 -4.7657 -4.7581 -3.0251 -2.9547 -2.9273 -2.9257 -2.2665 -2.2661 -1.1742 -1.1138 -0.5978 -0.5781 -0.1505 -0.0905 0.3923 0.4901 0.6875 0.6931 1.3742 1.5372 1.6310 1.6517 2.3355 2.3373 2.4263 2.4318 2.8330 2.8396 2.9333 2.9386 3.2139 3.2180 3.2854 3.2886 3.4356 3.4409 7.8173 8.3156 9.6790 9.8410 10.6466 10.7726 11.5831 11.5951 11.9297 11.9327 k = 0.1631-0.2351 0.3468 ( 4080 PWs) bands (ev): -16.1037 -16.1015 -15.2945 -15.2939 -14.2262 -14.2194 -13.9501 -13.9501 -13.5624 -13.5606 -13.5122 -13.5096 -5.4228 -5.4221 -4.7754 -4.7685 -3.0253 -2.9550 -2.9403 -2.9388 -2.2865 -2.2860 -1.1629 -1.1043 -0.5949 -0.5754 -0.1400 -0.0761 0.3983 0.4917 0.7059 0.7110 1.3592 1.5121 1.6233 1.6339 2.3348 2.3369 2.4353 2.4414 2.8185 2.8246 2.9344 2.9394 3.2087 3.2131 3.2899 3.2934 3.4395 3.4444 7.7993 8.2804 9.6722 9.8307 10.6426 10.7594 11.5811 11.5925 11.9412 11.9443 k = 0.1553-0.2239 0.3468 ( 4084 PWs) bands (ev): -16.1173 -16.1153 -15.3033 -15.3027 -14.2088 -14.2019 -13.9413 -13.9412 -13.5594 -13.5577 -13.5119 -13.5091 -5.4004 -5.3998 -4.7846 -4.7784 -3.0254 -2.9580 -2.9513 -2.9503 -2.3056 -2.3051 -1.1516 -1.0948 -0.5912 -0.5719 -0.1312 -0.0635 0.4058 0.4943 0.7232 0.7277 1.3422 1.4833 1.6171 1.6177 2.3340 2.3364 2.4450 2.4514 2.8043 2.8100 2.9358 2.9403 3.2033 3.2081 3.2937 3.2975 3.4441 3.4487 7.7814 8.2445 9.6660 9.8204 10.6380 10.7460 11.5775 11.5883 11.9530 11.9562 k = 0.1475-0.2127 0.3468 ( 4078 PWs) bands (ev): -16.1305 -16.1285 -15.3118 -15.3113 -14.1918 -14.1849 -13.9325 -13.9324 -13.5566 -13.5550 -13.5118 -13.5089 -5.3783 -5.3776 -4.7935 -4.7879 -3.0255 -2.9683 -2.9633 -2.9527 -2.3239 -2.3234 -1.1404 -1.0854 -0.5865 -0.5673 -0.1242 -0.0530 0.4146 0.4980 0.7389 0.7428 1.3233 1.4525 1.6016 1.6131 2.3331 2.3359 2.4550 2.4617 2.7906 2.7960 2.9373 2.9413 3.1979 3.2030 3.2969 3.3011 3.4494 3.4535 7.7638 8.2080 9.6603 9.8100 10.6329 10.7324 11.5724 11.5824 11.9651 11.9683 k = 0.1398-0.2015 0.3468 ( 4070 PWs) bands (ev): -16.1431 -16.1412 -15.3201 -15.3196 -14.1753 -14.1683 -13.9238 -13.9237 -13.5540 -13.5526 -13.5119 -13.5090 -5.3565 -5.3559 -4.8020 -4.7970 -3.0257 -2.9802 -2.9744 -2.9532 -2.3414 -2.3408 -1.1293 -1.0761 -0.5806 -0.5617 -0.1189 -0.0446 0.4248 0.5027 0.7522 0.7556 1.3032 1.4210 1.5879 1.6090 2.3323 2.3353 2.4649 2.4717 2.7776 2.7825 2.9390 2.9425 3.1925 3.1979 3.2996 3.3041 3.4551 3.4589 7.7466 8.1712 9.6551 9.7996 10.6274 10.7189 11.5660 11.5751 11.9773 11.9805 k = 0.1320-0.1903 0.3468 ( 4072 PWs) bands (ev): -16.1551 -16.1534 -15.3281 -15.3276 -14.1591 -14.1522 -13.9153 -13.9152 -13.5517 -13.5504 -13.5123 -13.5092 -5.3351 -5.3346 -4.8101 -4.8057 -3.0263 -2.9920 -2.9846 -2.9535 -2.3580 -2.3574 -1.1183 -1.0670 -0.5736 -0.5548 -0.1152 -0.0383 0.4360 0.5085 0.7625 0.7655 1.2826 1.3899 1.5762 1.6052 2.3315 2.3346 2.4746 2.4814 2.7654 2.7698 2.9410 2.9437 3.1872 3.1927 3.3019 3.3067 3.4611 3.4646 7.7299 8.1342 9.6503 9.7893 10.6216 10.7056 11.5584 11.5666 11.9896 11.9928 k = 0.1242-0.1791 0.3468 ( 4076 PWs) bands (ev): -16.1666 -16.1650 -15.3358 -15.3353 -14.1435 -14.1366 -13.9070 -13.9069 -13.5496 -13.5484 -13.5128 -13.5097 -5.3144 -5.3138 -4.8177 -4.8138 -3.0279 -3.0035 -2.9931 -2.9538 -2.3738 -2.3731 -1.1075 -1.0581 -0.5653 -0.5466 -0.1128 -0.0342 0.4481 0.5151 0.7691 0.7719 1.2626 1.3605 1.5663 1.6014 2.3307 2.3339 2.4837 2.4902 2.7542 2.7581 2.9430 2.9451 3.1818 3.1875 3.3039 3.3090 3.4673 3.4705 7.7138 8.0974 9.6460 9.7789 10.6158 10.6926 11.5498 11.5570 12.0018 12.0049 k = 0.1165-0.1679 0.3468 ( 4072 PWs) bands (ev): -16.1774 -16.1759 -15.3432 -15.3427 -14.1285 -14.1216 -13.8990 -13.8989 -13.5477 -13.5466 -13.5135 -13.5104 -5.2942 -5.2937 -4.8250 -4.8215 -3.0310 -3.0145 -2.9994 -2.9542 -2.3887 -2.3880 -1.0968 -1.0494 -0.5556 -0.5371 -0.1117 -0.0320 0.4608 0.5224 0.7711 0.7741 1.2443 1.3337 1.5583 1.5977 2.3300 2.3333 2.4919 2.4981 2.7443 2.7475 2.9452 2.9466 3.1766 3.1824 3.3057 3.3110 3.4737 3.4765 7.6987 8.0609 9.6422 9.7687 10.6099 10.6799 11.5404 11.5466 12.0139 12.0169 k = 0.1087-0.1567 0.3468 ( 4068 PWs) bands (ev): -16.1877 -16.1863 -15.3501 -15.3497 -14.1140 -14.1073 -13.8912 -13.8911 -13.5460 -13.5450 -13.5143 -13.5112 -5.2748 -5.2743 -4.8318 -4.8288 -3.0362 -3.0251 -3.0029 -2.9548 -2.4027 -2.4020 -1.0864 -1.0410 -0.5445 -0.5263 -0.1114 -0.0317 0.4738 0.5302 0.7680 0.7715 1.2289 1.3104 1.5518 1.5938 2.3293 2.3326 2.4990 2.5048 2.7357 2.7383 2.9476 2.9482 3.1715 3.1774 3.3073 3.3127 3.4800 3.4825 7.6845 8.0249 9.6388 9.7585 10.6041 10.6678 11.5305 11.5357 12.0258 12.0287 k = 0.1009-0.1455 0.3468 ( 4070 PWs) bands (ev): -16.1973 -16.1960 -15.3567 -15.3563 -14.1001 -14.0936 -13.8838 -13.8837 -13.5445 -13.5436 -13.5153 -13.5122 -5.2562 -5.2557 -4.8381 -4.8355 -3.0430 -3.0352 -3.0042 -2.9554 -2.4158 -2.4151 -1.0762 -1.0330 -0.5322 -0.5142 -0.1118 -0.0330 0.4867 0.5382 0.7595 0.7638 1.2172 1.2910 1.5467 1.5900 2.3287 2.3319 2.5048 2.5099 2.7286 2.7306 2.9499 2.9500 3.1665 3.1724 3.3088 3.3142 3.4862 3.4885 7.6714 7.9895 9.6358 9.7484 10.5985 10.6562 11.5202 11.5245 12.0373 12.0402 k = 0.0932-0.1343 0.3468 ( 4064 PWs) bands (ev): -16.2062 -16.2050 -15.3629 -15.3625 -14.0870 -14.0807 -13.8767 -13.8766 -13.5432 -13.5424 -13.5163 -13.5134 -5.2385 -5.2381 -4.8440 -4.8418 -3.0506 -3.0448 -3.0040 -2.9562 -2.4280 -2.4273 -1.0663 -1.0253 -0.5186 -0.5010 -0.1127 -0.0357 0.4994 0.5461 0.7457 0.7511 1.2094 1.2760 1.5429 1.5862 2.3282 2.3313 2.5091 2.5136 2.7232 2.7244 2.9517 2.9524 3.1617 3.1676 3.3101 3.3155 3.4923 3.4943 7.6596 7.9550 9.6333 9.7385 10.5932 10.6451 11.5097 11.5132 12.0486 12.0513 k = 0.0854-0.1231 0.3468 ( 4062 PWs) bands (ev): -16.2145 -16.2134 -15.3687 -15.3683 -14.0746 -14.0686 -13.8701 -13.8699 -13.5420 -13.5414 -13.5175 -13.5146 -5.2218 -5.2214 -4.8495 -4.8475 -3.0584 -3.0539 -3.0029 -2.9571 -2.4393 -2.4386 -1.0567 -1.0182 -0.5038 -0.4866 -0.1138 -0.0395 0.5114 0.5535 0.7272 0.7340 1.2055 1.2652 1.5402 1.5824 2.3277 2.3306 2.5119 2.5156 2.7194 2.7199 2.9535 2.9549 3.1571 3.1629 3.3113 3.3167 3.4982 3.5000 7.6493 7.9216 9.6312 9.7287 10.5882 10.6348 11.4993 11.5021 12.0593 12.0619 k = 0.0776-0.1119 0.3468 ( 4052 PWs) bands (ev): -16.2221 -16.2211 -15.3740 -15.3737 -14.0630 -14.0573 -13.8638 -13.8637 -13.5410 -13.5406 -13.5186 -13.5160 -5.2062 -5.2058 -4.8544 -4.8528 -3.0660 -3.0623 -3.0013 -2.9582 -2.4496 -2.4489 -1.0475 -1.0116 -0.4881 -0.4714 -0.1150 -0.0443 0.5224 0.5602 0.7053 0.7132 1.2049 1.2581 1.5384 1.5787 2.3273 2.3300 2.5132 2.5162 2.7169 2.7171 2.9554 2.9573 3.1528 3.1585 3.3124 3.3176 3.5038 3.5054 7.6405 7.8893 9.6297 9.7193 10.5836 10.6251 11.4892 11.4913 12.0696 12.0720 k = 0.0699-0.1007 0.3468 ( 4054 PWs) bands (ev): -16.2290 -16.2281 -15.3789 -15.3786 -14.0522 -14.0469 -13.8581 -13.8579 -13.5402 -13.5399 -13.5198 -13.5173 -5.1918 -5.1915 -4.8589 -4.8576 -3.0732 -3.0702 -2.9993 -2.9595 -2.4590 -2.4583 -1.0387 -1.0056 -0.4717 -0.4556 -0.1160 -0.0499 0.5321 0.5655 0.6815 0.6901 1.2071 1.2540 1.5375 1.5751 2.3270 2.3295 2.5131 2.5155 2.7154 2.7161 2.9574 2.9596 3.1487 3.1542 3.3135 3.3184 3.5091 3.5105 7.6333 7.8583 9.6287 9.7100 10.5795 10.6161 11.4795 11.4811 12.0792 12.0814 k = 0.0621-0.0896 0.3468 ( 4052 PWs) bands (ev): -16.2352 -16.2344 -15.3833 -15.3830 -14.0424 -14.0375 -13.8528 -13.8527 -13.5395 -13.5393 -13.5209 -13.5187 -5.1786 -5.1784 -4.8630 -4.8618 -3.0798 -3.0774 -2.9971 -2.9608 -2.4674 -2.4668 -1.0304 -1.0003 -0.4547 -0.4395 -0.1168 -0.0560 0.5398 0.5687 0.6576 0.6663 1.2112 1.2523 1.5372 1.5716 2.3267 2.3289 2.5121 2.5138 2.7150 2.7160 2.9593 2.9619 3.1451 3.1503 3.3145 3.3191 3.5140 3.5152 7.6280 7.8289 9.6282 9.7011 10.5758 10.6079 11.4704 11.4715 12.0882 12.0902 k = 0.0544-0.0784 0.3468 ( 4060 PWs) bands (ev): -16.2407 -16.2400 -15.3872 -15.3869 -14.0335 -14.0291 -13.8481 -13.8480 -13.5389 -13.5389 -13.5220 -13.5201 -5.1669 -5.1666 -4.8666 -4.8656 -3.0859 -3.0838 -2.9947 -2.9624 -2.4748 -2.4743 -1.0226 -0.9958 -0.4377 -0.4234 -0.1171 -0.0625 0.5445 0.5678 0.6368 0.6439 1.2165 1.2520 1.5375 1.5682 2.3264 2.3284 2.5102 2.5115 2.7154 2.7168 2.9612 2.9639 3.1418 3.1466 3.3154 3.3196 3.5185 3.5195 7.6245 7.8010 9.6283 9.6925 10.5727 10.6003 11.4621 11.4628 12.0964 12.0982 k = 0.0466-0.0672 0.3468 ( 4062 PWs) bands (ev): -16.2455 -16.2449 -15.3906 -15.3904 -14.0256 -14.0217 -13.8439 -13.8438 -13.5385 -13.5385 -13.5230 -13.5213 -5.1565 -5.1563 -4.8696 -4.8689 -3.0913 -3.0896 -2.9922 -2.9641 -2.4813 -2.4808 -1.0154 -0.9920 -0.4210 -0.4080 -0.1171 -0.0691 0.5445 0.5604 0.6224 0.6257 1.2225 1.2527 1.5384 1.5651 2.3262 2.3279 2.5079 2.5088 2.7165 2.7180 2.9630 2.9657 3.1389 3.1432 3.3162 3.3200 3.5225 3.5234 7.6231 7.7748 9.6289 9.6844 10.5702 10.5936 11.4546 11.4550 12.1038 12.1053 k = 0.0388-0.0560 0.3468 ( 4056 PWs) bands (ev): -16.2495 -16.2490 -15.3935 -15.3933 -14.0188 -14.0155 -13.8403 -13.8403 -13.5383 -13.5381 -13.5239 -13.5225 -5.1475 -5.1474 -4.8722 -4.8716 -3.0959 -3.0945 -2.9897 -2.9659 -2.4868 -2.4863 -1.0089 -0.9891 -0.4052 -0.3936 -0.1164 -0.0757 0.5383 0.5465 0.6142 0.6157 1.2287 1.2537 1.5396 1.5621 2.3260 2.3275 2.5054 2.5060 2.7179 2.7194 2.9647 2.9673 3.1364 3.1402 3.3170 3.3202 3.5260 3.5267 7.6237 7.7505 9.6302 9.6767 10.5683 10.5876 11.4481 11.4483 12.1102 12.1115 k = 0.0311-0.0448 0.3468 ( 4056 PWs) bands (ev): -16.2528 -16.2524 -15.3958 -15.3957 -14.0131 -14.0104 -13.8374 -13.8373 -13.5381 -13.5379 -13.5246 -13.5235 -5.1402 -5.1400 -4.8744 -4.8739 -3.0997 -3.0986 -2.9871 -2.9678 -2.4913 -2.4909 -1.0031 -0.9870 -0.3907 -0.3809 -0.1152 -0.0822 0.5270 0.5300 0.6095 0.6135 1.2347 1.2546 1.5411 1.5592 2.3260 2.3271 2.5031 2.5035 2.7195 2.7207 2.9663 2.9685 3.1345 3.1376 3.3177 3.3203 3.5289 3.5295 7.6264 7.7281 9.6321 9.6694 10.5670 10.5823 11.4426 11.4427 12.1157 12.1167 k = 0.0233-0.0336 0.3468 ( 4052 PWs) bands (ev): -16.2554 -16.2551 -15.3977 -15.3976 -14.0085 -14.0064 -13.8351 -13.8350 -13.5379 -13.5377 -13.5251 -13.5244 -5.1344 -5.1343 -4.8760 -4.8757 -3.1027 -3.1019 -2.9845 -2.9699 -2.4947 -2.4945 -0.9980 -0.9858 -0.3783 -0.3706 -0.1134 -0.0884 0.5142 0.5148 0.6087 0.6131 1.2401 1.2551 1.5428 1.5565 2.3259 2.3268 2.5010 2.5012 2.7209 2.7219 2.9676 2.9694 3.1330 3.1355 3.3183 3.3203 3.5312 3.5316 7.6314 7.7078 9.6346 9.6627 10.5664 10.5778 11.4383 11.4383 12.1200 12.1208 k = 0.0155-0.0224 0.3468 ( 4052 PWs) bands (ev): -16.2572 -16.2570 -15.3990 -15.3989 -14.0051 -14.0037 -13.8334 -13.8333 -13.5378 -13.5377 -13.5255 -13.5250 -5.1302 -5.1301 -4.8772 -4.8770 -3.1048 -3.1043 -2.9819 -2.9721 -2.4972 -2.4970 -0.9938 -0.9856 -0.3684 -0.3631 -0.1109 -0.0941 0.5029 0.5031 0.6096 0.6130 1.2449 1.2549 1.5448 1.5539 2.3259 2.3265 2.4994 2.4996 2.7221 2.7228 2.9687 2.9700 3.1321 3.1338 3.3189 3.3202 3.5329 3.5332 7.6385 7.6896 9.6377 9.6565 10.5665 10.5741 11.4351 11.4351 12.1232 12.1237 k = 0.0078-0.0112 0.3468 ( 4050 PWs) bands (ev): -16.2583 -16.2582 -15.3998 -15.3998 -14.0029 -14.0022 -13.8324 -13.8323 -13.5377 -13.5376 -13.5257 -13.5254 -5.1276 -5.1276 -4.8779 -4.8778 -3.1061 -3.1058 -2.9794 -2.9745 -2.4987 -2.4986 -0.9904 -0.9863 -0.3617 -0.3590 -0.1077 -0.0993 0.4954 0.4957 0.6108 0.6126 1.2488 1.2538 1.5469 1.5515 2.3260 2.3263 2.4984 2.4985 2.7229 2.7232 2.9696 2.9702 3.1317 3.1326 3.3193 3.3200 3.5340 3.5341 7.6479 7.6735 9.6415 9.6509 10.5673 10.5711 11.4332 11.4332 12.1252 12.1254 k = 0.0000 0.0000 0.3468 ( 4046 PWs) bands (ev): -16.2586 -16.2586 -15.4001 -15.4001 -14.0019 -14.0019 -13.8320 -13.8320 -13.5376 -13.5376 -13.5257 -13.5257 -5.1268 -5.1268 -4.8781 -4.8781 -3.1064 -3.1064 -2.9769 -2.9769 -2.4991 -2.4991 -0.9879 -0.9879 -0.3585 -0.3585 -0.1038 -0.1038 0.4930 0.4930 0.6119 0.6119 1.2518 1.2518 1.5491 1.5491 2.3261 2.3261 2.4981 2.4981 2.7233 2.7233 2.9700 2.9700 3.1319 3.1319 3.3197 3.3197 3.5344 3.5344 7.6596 7.6596 9.6459 9.6459 10.5688 10.5688 11.4326 11.4326 12.1259 12.1259 k = 0.0000 0.0000 0.3468 ( 4046 PWs) bands (ev): -16.2586 -16.2586 -15.4001 -15.4001 -14.0019 -14.0019 -13.8320 -13.8320 -13.5376 -13.5376 -13.5257 -13.5257 -5.1268 -5.1268 -4.8781 -4.8781 -3.1064 -3.1064 -2.9769 -2.9769 -2.4991 -2.4991 -0.9879 -0.9879 -0.3585 -0.3585 -0.1038 -0.1038 0.4930 0.4930 0.6119 0.6119 1.2518 1.2518 1.5491 1.5491 2.3261 2.3261 2.4981 2.4981 2.7233 2.7233 2.9700 2.9700 3.1319 3.1319 3.3197 3.3197 3.5344 3.5344 7.6596 7.6596 9.6459 9.6459 10.5688 10.5688 11.4326 11.4326 12.1259 12.1259 k = 0.0112 0.0078 0.3468 ( 4052 PWs) bands (ev): -16.2581 -16.2580 -15.4000 -15.3994 -14.0026 -14.0024 -13.8324 -13.8321 -13.5469 -13.5405 -13.5230 -13.5173 -5.1294 -5.1274 -4.8774 -4.8774 -3.1082 -3.1041 -2.9762 -2.9726 -2.5020 -2.4973 -0.9921 -0.9871 -0.3697 -0.3514 -0.1105 -0.0948 0.4813 0.5047 0.6012 0.6259 1.2501 1.2555 1.5495 1.5527 2.3247 2.3256 2.4978 2.4980 2.7196 2.7212 2.9692 2.9710 3.1285 3.1335 3.3172 3.3246 3.5340 3.5344 7.6491 7.6725 9.6311 9.6612 10.5624 10.5754 11.4327 11.4341 12.1222 12.1309 k = 0.0224 0.0155 0.3468 ( 4055 PWs) bands (ev): -16.2564 -16.2563 -15.3992 -15.3979 -14.0044 -14.0039 -13.8333 -13.8326 -13.5580 -13.5508 -13.5141 -13.5082 -5.1352 -5.1311 -4.8755 -4.8754 -3.1093 -3.1014 -2.9704 -2.9637 -2.5057 -2.4966 -0.9995 -0.9896 -0.3842 -0.3488 -0.1143 -0.0840 0.4702 0.5144 0.5953 0.6421 1.2506 1.2611 1.5538 1.5602 2.3214 2.3231 2.4969 2.4973 2.7105 2.7134 2.9684 2.9720 3.1238 3.1333 3.3172 3.3315 3.5334 3.5340 7.6412 7.6878 9.6170 9.6771 10.5559 10.5822 11.4345 11.4372 12.1198 12.1372 k = 0.0336 0.0233 0.3468 ( 4050 PWs) bands (ev): -16.2535 -16.2533 -15.3976 -15.3957 -14.0072 -14.0065 -13.8347 -13.8337 -13.5697 -13.5621 -13.5052 -13.4996 -5.1439 -5.1379 -4.8722 -4.8721 -3.1091 -3.0981 -2.9598 -2.9507 -2.5104 -2.4968 -1.0100 -0.9956 -0.4013 -0.3510 -0.1148 -0.0720 0.4600 0.5198 0.5966 0.6600 1.2532 1.2686 1.5621 1.5713 2.3162 2.3187 2.4952 2.4959 2.6964 2.7005 2.9676 2.9728 3.1179 3.1314 3.3195 3.3403 3.5324 3.5333 7.6357 7.7054 9.6035 9.6936 10.5494 10.5892 11.4379 11.4421 12.1186 12.1448 k = 0.0448 0.0311 0.3468 ( 4050 PWs) bands (ev): -16.2495 -16.2493 -15.3953 -15.3928 -14.0110 -14.0101 -13.8367 -13.8356 -13.5816 -13.5738 -13.4969 -13.4916 -5.1556 -5.1477 -4.8677 -4.8675 -3.1072 -3.0940 -2.9450 -2.9344 -2.5158 -2.4979 -1.0235 -1.0048 -0.4204 -0.3575 -0.1120 -0.0592 0.4509 0.5197 0.6059 0.6792 1.2582 1.2777 1.5741 1.5859 2.3092 2.3124 2.4924 2.4936 2.6782 2.6832 2.9666 2.9731 3.1111 3.1278 3.3241 3.3506 3.5311 3.5323 7.6328 7.7252 9.5906 9.7105 10.5426 10.5965 11.4431 11.4485 12.1188 12.1535 k = 0.0560 0.0389 0.3468 ( 4051 PWs) bands (ev): -16.2443 -16.2441 -15.3923 -15.3891 -14.0158 -14.0148 -13.8395 -13.8383 -13.5935 -13.5856 -13.4893 -13.4844 -5.1701 -5.1604 -4.8621 -4.8617 -3.1034 -3.0885 -2.9267 -2.9152 -2.5217 -2.4997 -1.0396 -1.0171 -0.4409 -0.3679 -0.1064 -0.0459 0.4425 0.5154 0.6212 0.6993 1.2654 1.2885 1.5897 1.6038 2.3002 2.3040 2.4879 2.4898 2.6568 2.6624 2.9651 2.9729 3.1038 3.1229 3.3304 3.3621 3.5296 3.5309 7.6322 7.7470 9.5783 9.7278 10.5356 10.6042 11.4499 11.4567 12.1200 12.1633 k = 0.0672 0.0466 0.3468 ( 4049 PWs) bands (ev): -16.2380 -16.2377 -15.3885 -15.3847 -14.0216 -14.0205 -13.8433 -13.8420 -13.6053 -13.5972 -13.4824 -13.4780 -5.1871 -5.1759 -4.8553 -4.8547 -3.0975 -3.0814 -2.9054 -2.8939 -2.5280 -2.5020 -1.0581 -1.0322 -0.4620 -0.3811 -0.0984 -0.0322 0.4349 0.5089 0.6401 0.7200 1.2748 1.3009 1.6084 1.6246 2.2890 2.2933 2.4815 2.4842 2.6334 2.6393 2.9632 2.9719 3.0963 3.1171 3.3382 3.3746 3.5279 3.5294 7.6341 7.7707 9.5668 9.7454 10.5283 10.6124 11.4585 11.4666 12.1224 12.1740 k = 0.0784 0.0544 0.3468 ( 4057 PWs) bands (ev): -16.2306 -16.2302 -15.3840 -15.3796 -14.0283 -14.0271 -13.8482 -13.8470 -13.6166 -13.6086 -13.4764 -13.4723 -5.2065 -5.1939 -4.8473 -4.8464 -3.0894 -3.0725 -2.8819 -2.8710 -2.5342 -2.5046 -1.0786 -1.0499 -0.4835 -0.3962 -0.0886 -0.0185 0.4276 0.5014 0.6610 0.7410 1.2865 1.3150 1.6299 1.6478 2.2752 2.2799 2.4726 2.4765 2.6093 2.6152 2.9605 2.9702 3.0887 3.1108 3.3471 3.3878 3.5261 3.5276 7.6381 7.7961 9.5558 9.7633 10.5206 10.6210 11.4688 11.4781 12.1258 12.1856 k = 0.0896 0.0622 0.3468 ( 4063 PWs) bands (ev): -16.2220 -16.2216 -15.3788 -15.3738 -14.0359 -14.0347 -13.8544 -13.8535 -13.6273 -13.6194 -13.4711 -13.4673 -5.2282 -5.2143 -4.8382 -4.8371 -3.0791 -3.0617 -2.8570 -2.8471 -2.5401 -2.5068 -1.1009 -1.0697 -0.5048 -0.4125 -0.0776 -0.0048 0.4204 0.4933 0.6829 0.7620 1.3002 1.3306 1.6535 1.6730 2.2581 2.2631 2.4612 2.4665 2.5858 2.5916 2.9572 2.9677 3.0814 3.1044 3.3566 3.4016 3.5243 3.5258 7.6442 7.8228 9.5457 9.7814 10.5124 10.6300 11.4809 11.4914 12.1300 12.1978 k = 0.1009 0.0700 0.3468 ( 4055 PWs) bands (ev): -16.2123 -16.2118 -15.3729 -15.3673 -14.0444 -14.0432 -13.8621 -13.8617 -13.6371 -13.6294 -13.4666 -13.4632 -5.2520 -5.2369 -4.8281 -4.8265 -3.0668 -3.0490 -2.8314 -2.8229 -2.5449 -2.5082 -1.1244 -1.0912 -0.5255 -0.4292 -0.0657 0.0086 0.4133 0.4850 0.7051 0.7827 1.3157 1.3480 1.6787 1.6996 2.2366 2.2419 2.4478 2.4547 2.5636 2.5694 2.9531 2.9641 3.0750 3.0985 3.3666 3.4157 3.5223 3.5242 7.6523 7.8508 9.5363 9.7995 10.5039 10.6396 11.4948 11.5065 12.1350 12.2106 k = 0.1121 0.0777 0.3468 ( 4055 PWs) bands (ev): -16.2014 -16.2009 -15.3664 -15.3602 -14.0538 -14.0527 -13.8715 -13.8714 -13.6460 -13.6386 -13.4628 -13.4598 -5.2776 -5.2614 -4.8168 -4.8149 -3.0526 -3.0345 -2.8064 -2.7989 -2.5480 -2.5080 -1.1488 -1.1140 -0.5454 -0.4458 -0.0535 0.0214 0.4060 0.4764 0.7271 0.8030 1.3330 1.3670 1.7047 1.7269 2.2097 2.2157 2.4333 2.4428 2.5433 2.5490 2.9480 2.9591 3.0697 3.0935 3.3765 3.4299 3.5204 3.5232 7.6622 7.8798 9.5277 9.8175 10.4950 10.6495 11.5104 11.5233 12.1406 12.2237 k = 0.1233 0.0855 0.3468 ( 4055 PWs) bands (ev): -16.1895 -16.1890 -15.3592 -15.3524 -14.0642 -14.0632 -13.8829 -13.8823 -13.6537 -13.6467 -13.4598 -13.4571 -5.3048 -5.2878 -4.8045 -4.8022 -3.0368 -3.0186 -2.7836 -2.7757 -2.5483 -2.5050 -1.1736 -1.1374 -0.5642 -0.4619 -0.0412 0.0336 0.3984 0.4677 0.7487 0.8227 1.3517 1.3876 1.7308 1.7540 2.1765 2.1839 2.4191 2.4323 2.5246 2.5302 2.9420 2.9526 3.0663 3.0900 3.3861 3.4437 3.5189 3.5229 7.6736 7.9094 9.5200 9.8353 10.4857 10.6599 11.5278 11.5418 12.1467 12.2369 k = 0.1345 0.0933 0.3468 ( 4059 PWs) bands (ev): -16.1765 -16.1759 -15.3514 -15.3440 -14.0756 -14.0748 -13.8959 -13.8946 -13.6604 -13.6538 -13.4576 -13.4550 -5.3336 -5.3157 -4.7911 -4.7884 -3.0198 -3.0014 -2.7647 -2.7544 -2.5446 -2.4981 -1.1984 -1.1610 -0.5817 -0.4771 -0.0292 0.0447 0.3904 0.4590 0.7695 0.8414 1.3716 1.4098 1.7559 1.7799 2.1373 2.1463 2.4064 2.4248 2.5070 2.5127 2.9349 2.9444 3.0650 3.0884 3.3950 3.4565 3.5183 3.5239 7.6865 7.9394 9.5134 9.8526 10.4762 10.6706 11.5469 11.5621 12.1532 12.2502 k = 0.1457 0.1010 0.3468 ( 4061 PWs) bands (ev): -16.1624 -16.1617 -15.3430 -15.3351 -14.0882 -14.0876 -13.9101 -13.9082 -13.6661 -13.6599 -13.4561 -13.4537 -5.3636 -5.3451 -4.7767 -4.7735 -3.0017 -2.9831 -2.7503 -2.7367 -2.5352 -2.4863 -1.2228 -1.1841 -0.5979 -0.4911 -0.0178 0.0547 0.3821 0.4504 0.7892 0.8591 1.3923 1.4335 1.7791 1.8033 2.0933 2.1038 2.3957 2.4209 2.4902 2.4961 2.9269 2.9346 3.0660 3.0889 3.4029 3.4672 3.5194 3.5268 7.7005 7.9696 9.5078 9.8694 10.4666 10.6815 11.5677 11.5840 12.1599 12.2632 k = 0.1569 0.1088 0.3468 ( 4060 PWs) bands (ev): -16.1472 -16.1465 -15.3340 -15.3256 -14.1022 -14.1017 -13.9253 -13.9228 -13.6708 -13.6651 -13.4553 -13.4530 -5.3948 -5.3757 -4.7612 -4.7576 -2.9832 -2.9643 -2.7405 -2.7243 -2.5191 -2.4689 -1.2462 -1.2064 -0.6125 -0.5038 -0.0072 0.0632 0.3732 0.4418 0.8078 0.8755 1.4134 1.4585 1.7989 1.8220 2.0467 2.0580 2.3867 2.4202 2.4744 2.4805 2.9182 2.9236 3.0693 3.0917 3.4094 3.4744 3.5228 3.5326 7.7154 7.9996 9.5034 9.8856 10.4570 10.6927 11.5901 11.6075 12.1666 12.2759 k = 0.1681 0.1166 0.3468 ( 4064 PWs) bands (ev): -16.1310 -16.1302 -15.3245 -15.3156 -14.1178 -14.1173 -13.9410 -13.9379 -13.6748 -13.6696 -13.4552 -13.4528 -5.4268 -5.4073 -4.7447 -4.7407 -2.9646 -2.9453 -2.7350 -2.7175 -2.4962 -2.4459 -1.2682 -1.2272 -0.6255 -0.5150 0.0023 0.0699 0.3640 0.4335 0.8251 0.8906 1.4344 1.4843 1.8126 1.8323 2.0019 2.0119 2.3788 2.4213 2.4608 2.4664 2.9087 2.9124 3.0745 3.0965 3.4143 3.4776 3.5284 3.5423 7.7311 8.0291 9.5003 9.9008 10.4477 10.7041 11.6141 11.6326 12.1733 12.2882 k = 0.1793 0.1244 0.3468 ( 4067 PWs) bands (ev): -16.1137 -16.1129 -15.3145 -15.3052 -14.1351 -14.1344 -13.9568 -13.9533 -13.6783 -13.6734 -13.4558 -13.4532 -5.4597 -5.4398 -4.7272 -4.7227 -2.9464 -2.9265 -2.7329 -2.7155 -2.4672 -2.4178 -1.2885 -1.2461 -0.6369 -0.5246 0.0105 0.0748 0.3542 0.4255 0.8410 0.9043 1.4547 1.5105 1.8149 1.8265 1.9662 1.9721 2.3707 2.4196 2.4535 2.4546 2.8979 2.9031 3.0815 3.1032 3.4176 3.4779 3.5357 3.5554 7.7473 8.0579 9.4986 9.9149 10.4388 10.7154 11.6396 11.6591 12.1798 12.2998 k = 0.1905 0.1321 0.3468 ( 4071 PWs) bands (ev): -16.0954 -16.0946 -15.3041 -15.2943 -14.1544 -14.1534 -13.9722 -13.9685 -13.6812 -13.6768 -13.4570 -13.4542 -5.4931 -5.4730 -4.7088 -4.7038 -2.9292 -2.9084 -2.7332 -2.7172 -2.4333 -2.3855 -1.3065 -1.2625 -0.6466 -0.5326 0.0172 0.0776 0.3440 0.4178 0.8553 0.9163 1.4734 1.5361 1.7978 1.7980 1.9434 1.9512 2.3617 2.4106 2.4450 2.4575 2.8870 2.8960 3.0897 3.1113 3.4194 3.4766 3.5446 3.5708 7.7639 8.0857 9.4984 9.9279 10.4307 10.7267 11.6664 11.6869 12.1860 12.3107 k = 0.2017 0.1399 0.3468 ( 4072 PWs) bands (ev): -16.0761 -16.0752 -15.2932 -15.2831 -14.1757 -14.1743 -13.9871 -13.9831 -13.6839 -13.6799 -13.4588 -13.4557 -5.5270 -5.5067 -4.6894 -4.6839 -2.9136 -2.8913 -2.7351 -2.7212 -2.3956 -2.3497 -1.3220 -1.2763 -0.6546 -0.5388 0.0223 0.0783 0.3334 0.4104 0.8680 0.9266 1.4895 1.5598 1.7530 1.7599 1.9343 1.9460 2.3517 2.3977 2.4384 2.4684 2.8772 2.8912 3.0990 3.1206 3.4201 3.4744 3.5548 3.5876 7.7805 8.1121 9.4997 9.9395 10.4235 10.7379 11.6945 11.7158 12.1918 12.3207 k = 0.2129 0.1477 0.3468 ( 4070 PWs) bands (ev): -16.0558 -16.0549 -15.2820 -15.2715 -14.1990 -14.1972 -14.0011 -13.9970 -13.6864 -13.6827 -13.4612 -13.4577 -5.5612 -5.5408 -4.6690 -4.6631 -2.8999 -2.8759 -2.7381 -2.7265 -2.3548 -2.3110 -1.3347 -1.2870 -0.6610 -0.5433 0.0256 0.0768 0.3223 0.4033 0.8788 0.9350 1.5009 1.5782 1.7030 1.7119 1.9335 1.9448 2.3414 2.3841 2.4339 2.4826 2.8698 2.8890 3.1090 3.1306 3.4200 3.4720 3.5661 3.6053 7.7970 8.1370 9.5027 9.9497 10.4175 10.7488 11.7236 11.7458 12.1971 12.3300 k = 0.2241 0.1555 0.3468 ( 4078 PWs) bands (ev): -16.0346 -16.0336 -15.2705 -15.2596 -14.2243 -14.2221 -14.0141 -14.0100 -13.6887 -13.6854 -13.4640 -13.4602 -5.5955 -5.5751 -4.6478 -4.6414 -2.8887 -2.8624 -2.7419 -2.7320 -2.3116 -2.2697 -1.3442 -1.2944 -0.6657 -0.5462 0.0270 0.0732 0.3109 0.3964 0.8874 0.9410 1.5031 1.5814 1.6546 1.6731 1.9345 1.9427 2.3319 2.3708 2.4308 2.4988 2.8654 2.8900 3.1194 3.1410 3.4194 3.4697 3.5784 3.6237 7.8132 8.1600 9.5073 9.9584 10.4129 10.7594 11.7536 11.7766 12.2019 12.3383 k = 0.2353 0.1632 0.3468 ( 4077 PWs) bands (ev): -16.0124 -16.0114 -15.2587 -15.2476 -14.2515 -14.2488 -14.0259 -14.0220 -13.6911 -13.6882 -13.4673 -13.4631 -5.6297 -5.6095 -4.6256 -4.6189 -2.8800 -2.8514 -2.7467 -2.7368 -2.2661 -2.2262 -1.3505 -1.2985 -0.6687 -0.5473 0.0262 0.0673 0.2991 0.3896 0.8935 0.9442 1.4874 1.5546 1.6160 1.6641 1.9341 1.9380 2.3243 2.3584 2.4289 2.5162 2.8645 2.8942 3.1298 3.1515 3.4189 3.4677 3.5914 3.6425 7.8290 8.1810 9.5135 9.9655 10.4099 10.7696 11.7844 11.8080 12.2061 12.3457 k = 0.2465 0.1710 0.3468 ( 4079 PWs) bands (ev): -15.9894 -15.9883 -15.2467 -15.2353 -14.2803 -14.2772 -14.0367 -14.0330 -13.6935 -13.6909 -13.4711 -13.4665 -5.6639 -5.6438 -4.6027 -4.5955 -2.8741 -2.8431 -2.7521 -2.7406 -2.2187 -2.1808 -1.3534 -1.2990 -0.6701 -0.5468 0.0233 0.0593 0.2871 0.3829 0.8964 0.9439 1.4507 1.5067 1.5983 1.6707 1.9299 1.9313 2.3187 2.3467 2.4287 2.5346 2.8676 2.9017 3.1400 3.1616 3.4187 3.4661 3.6049 3.6617 7.8442 8.1998 9.5213 9.9711 10.4087 10.7793 11.8156 11.8398 12.2096 12.3522 k = 0.2577 0.1788 0.3468 ( 4081 PWs) bands (ev): -15.9654 -15.9643 -15.2346 -15.2230 -14.3106 -14.3072 -14.0465 -14.0429 -13.6960 -13.6938 -13.4752 -13.4702 -5.6978 -5.6780 -4.5789 -4.5714 -2.8707 -2.8379 -2.7576 -2.7436 -2.1697 -2.1336 -1.3529 -1.2961 -0.6700 -0.5446 0.0181 0.0493 0.2750 0.3763 0.8952 0.9391 1.4036 1.4535 1.5922 1.6782 1.9190 1.9256 2.3144 2.3360 2.4315 2.5540 2.8745 2.9120 3.1498 3.1709 3.4192 3.4652 3.6188 3.6811 7.8587 8.2162 9.5305 9.9752 10.4095 10.7885 11.8471 11.8719 12.2125 12.3578 k = 0.2689 0.1866 0.3468 ( 4083 PWs) bands (ev): -15.9406 -15.9395 -15.2224 -15.2107 -14.3421 -14.3384 -14.0552 -14.0519 -13.6987 -13.6968 -13.4798 -13.4743 -5.7312 -5.7117 -4.5544 -4.5466 -2.8697 -2.8359 -2.7626 -2.7464 -2.1191 -2.0848 -1.3491 -1.2900 -0.6685 -0.5410 0.0103 0.0371 0.2630 0.3696 0.8889 0.9285 1.3558 1.4021 1.5880 1.6816 1.9057 1.9178 2.3094 2.3264 2.4392 2.5746 2.8849 2.9248 3.1588 3.1793 3.4207 3.4651 3.6330 3.7007 7.8724 8.2300 9.5409 9.9778 10.4123 10.7971 11.8785 11.9038 12.2147 12.3625 k = 0.2801 0.1943 0.3468 ( 4081 PWs) bands (ev): -15.9151 -15.9138 -15.2103 -15.1985 -14.3747 -14.3707 -14.0631 -14.0599 -13.7016 -13.6999 -13.4846 -13.4788 -5.7641 -5.7451 -4.5291 -4.5211 -2.8707 -2.8368 -2.7669 -2.7491 -2.0673 -2.0347 -1.3422 -1.2808 -0.6655 -0.5358 -0.0000 0.0229 0.2511 0.3629 0.8763 0.9111 1.3124 1.3555 1.5817 1.6789 1.8914 1.9089 2.3022 2.3180 2.4531 2.5965 2.8982 2.9394 3.1668 3.1863 3.4234 3.4659 3.6474 3.7204 7.8853 8.2413 9.5525 9.9792 10.4172 10.8050 11.9096 11.9355 12.2163 12.3663 k = 0.2914 0.2021 0.3468 ( 4082 PWs) bands (ev): -15.8887 -15.8875 -15.1983 -15.1865 -14.4080 -14.4039 -14.0700 -14.0671 -13.7048 -13.7032 -13.4897 -13.4835 -5.7964 -5.7778 -4.5032 -4.4950 -2.8735 -2.8403 -2.7708 -2.7521 -2.0143 -1.9834 -1.3323 -1.2688 -0.6612 -0.5293 -0.0130 0.0064 0.2396 0.3560 0.8565 0.8860 1.2761 1.3156 1.5715 1.6687 1.8774 1.8999 2.2929 2.3101 2.4734 2.6200 2.9138 2.9553 3.1737 3.1918 3.4275 3.4678 3.6619 3.7400 7.8973 8.2499 9.5649 9.9795 10.4243 10.8122 11.9401 11.9667 12.2173 12.3692 k = 0.3026 0.2099 0.3468 ( 4080 PWs) bands (ev): -15.8617 -15.8604 -15.1864 -15.1747 -14.4420 -14.4377 -14.0761 -14.0734 -13.7082 -13.7067 -13.4951 -13.4886 -5.8279 -5.8098 -4.4768 -4.4685 -2.8777 -2.8458 -2.7743 -2.7552 -1.9605 -1.9312 -1.3197 -1.2543 -0.6557 -0.5215 -0.0288 -0.0122 0.2286 0.3489 0.8292 0.8535 1.2478 1.2834 1.5566 1.6506 1.8647 1.8918 2.2829 2.3019 2.4994 2.6448 2.9308 2.9719 3.1794 3.1956 3.4331 3.4707 3.6766 3.7595 7.9084 8.2558 9.5781 9.9786 10.4335 10.8188 11.9696 11.9972 12.2177 12.3713 k = 0.3138 0.2176 0.3468 ( 4080 PWs) bands (ev): -15.8340 -15.8326 -15.1749 -15.1634 -14.4763 -14.4720 -14.0814 -14.0789 -13.7119 -13.7104 -13.5007 -13.4938 -5.8585 -5.8410 -4.4498 -4.4415 -2.8833 -2.8529 -2.7776 -2.7584 -1.9061 -1.8783 -1.3048 -1.2377 -0.6491 -0.5126 -0.0475 -0.0331 0.2180 0.3416 0.7951 0.8150 1.2270 1.2585 1.5369 1.6251 1.8539 1.8851 2.2730 2.2936 2.5298 2.6709 2.9486 2.9888 3.1837 3.1978 3.4401 3.4747 3.6913 3.7788 7.9186 8.2590 9.5917 9.9768 10.4448 10.8246 11.9978 12.0267 12.2175 12.3726 k = 0.3250 0.2254 0.3468 ( 4078 PWs) bands (ev): -15.8057 -15.8043 -15.1638 -15.1525 -14.5108 -14.5064 -14.0859 -14.0835 -13.7160 -13.7142 -13.5064 -13.4993 -5.8882 -5.8713 -4.4224 -4.4142 -2.8900 -2.8612 -2.7808 -2.7615 -1.8514 -1.8251 -1.2879 -1.2195 -0.6415 -0.5026 -0.0694 -0.0558 0.2076 0.3336 0.7561 0.7727 1.2124 1.2398 1.5126 1.5936 1.8447 1.8801 2.2639 2.2854 2.5632 2.6978 2.9666 3.0056 3.1867 3.1984 3.4484 3.4796 3.7060 3.7978 7.9280 8.2595 9.6056 9.9740 10.4582 10.8297 12.0245 12.0549 12.2170 12.3732 k = 0.3362 0.2332 0.3468 ( 4086 PWs) bands (ev): -15.7769 -15.7755 -15.1533 -15.1423 -14.5452 -14.5409 -14.0896 -14.0873 -13.7203 -13.7183 -13.5124 -13.5050 -5.9167 -5.9005 -4.3946 -4.3867 -2.8979 -2.8706 -2.7836 -2.7644 -1.7967 -1.7720 -1.2694 -1.2000 -0.6331 -0.4916 -0.0951 -0.0798 0.1972 0.3246 0.7146 0.7291 1.2022 1.2256 1.4844 1.5576 1.8371 1.8766 2.2561 2.2780 2.5983 2.7251 2.9843 3.0219 3.1884 3.1975 3.4578 3.4854 3.7208 3.8163 7.9367 8.2574 9.6197 9.9703 10.4736 10.8340 12.0492 12.0816 12.2161 12.3733 k = 0.3474 0.2410 0.3468 ( 4084 PWs) bands (ev): -15.7477 -15.7463 -15.1435 -15.1330 -14.5792 -14.5750 -14.0927 -14.0903 -13.7249 -13.7226 -13.5184 -13.5109 -5.9440 -5.9285 -4.3667 -4.3591 -2.9068 -2.8809 -2.7859 -2.7667 -1.7425 -1.7193 -1.2496 -1.1796 -0.6239 -0.4798 -0.1245 -0.1047 0.1862 0.3140 0.6731 0.6866 1.1946 1.2141 1.4531 1.5188 1.8307 1.8742 2.2497 2.2718 2.6343 2.7524 3.0015 3.0375 3.1889 3.1955 3.4678 3.4918 3.7358 3.8343 7.9447 8.2527 9.6338 9.9657 10.4909 10.8376 12.0717 12.1063 12.2152 12.3728 k = 0.3586 0.2487 0.3468 ( 4088 PWs) bands (ev): -15.7182 -15.7167 -15.1346 -15.1247 -14.6126 -14.6087 -14.0950 -14.0925 -13.7297 -13.7271 -13.5245 -13.5169 -5.9700 -5.9553 -4.3387 -4.3316 -2.9167 -2.8919 -2.7874 -2.7682 -1.6891 -1.6675 -1.2290 -1.1589 -0.6142 -0.4671 -0.1572 -0.1307 0.1740 0.3007 0.6342 0.6472 1.1880 1.2035 1.4200 1.4787 1.8256 1.8727 2.2452 2.2670 2.6702 2.7793 3.0177 3.0521 3.1883 3.1926 3.4781 3.4986 3.7509 3.8516 7.9522 8.2456 9.6479 9.9601 10.5100 10.8404 12.0916 12.1284 12.2147 12.3722 k = 0.3698 0.2565 0.3468 ( 4085 PWs) bands (ev): -15.6885 -15.6870 -15.1268 -15.1176 -14.6449 -14.6414 -14.0965 -14.0939 -13.7347 -13.7318 -13.5306 -13.5230 -5.9946 -5.9806 -4.3107 -4.3043 -2.9273 -2.9037 -2.7879 -2.7688 -1.6370 -1.6170 -1.2080 -1.1381 -0.6039 -0.4539 -0.1926 -0.1578 0.1600 0.2839 0.6001 0.6129 1.1806 1.1922 1.3867 1.4393 1.8216 1.8720 2.2426 2.2638 2.7053 2.8054 3.0328 3.0657 3.1865 3.1892 3.4885 3.5056 3.7663 3.8682 7.9593 8.2362 9.6619 9.9536 10.5306 10.8423 12.1087 12.1469 12.2156 12.3716 k = 0.3810 0.2643 0.3468 ( 4085 PWs) bands (ev): -15.6588 -15.6572 -15.1202 -15.1120 -14.6758 -14.6728 -14.0974 -14.0945 -13.7399 -13.7367 -13.5367 -13.5291 -6.0177 -6.0045 -4.2831 -4.2774 -2.9387 -2.9161 -2.7871 -2.7682 -1.5868 -1.5685 -1.1869 -1.1179 -0.5933 -0.4400 -0.2301 -0.1858 0.1436 0.2625 0.5728 0.5851 1.1704 1.1781 1.3554 1.4026 1.8189 1.8720 2.2419 2.2624 2.7390 2.8302 3.0465 3.0780 3.1834 3.1858 3.4984 3.5125 3.7820 3.8839 7.9661 8.2246 9.6758 9.9461 10.5526 10.8434 12.1227 12.1602 12.2193 12.3712 k = 0.3922 0.2721 0.3468 ( 4090 PWs) bands (ev): -15.6294 -15.6277 -15.1152 -15.1081 -14.7050 -14.7026 -14.0975 -14.0944 -13.7453 -13.7418 -13.5428 -13.5353 -6.0393 -6.0268 -4.2559 -4.2511 -2.9505 -2.9288 -2.7850 -2.7663 -1.5390 -1.5225 -1.1662 -1.0985 -0.5825 -0.4256 -0.2688 -0.2144 0.1244 0.2364 0.5531 0.5649 1.1552 1.1593 1.3286 1.3707 1.8173 1.8728 2.2432 2.2628 2.7708 2.8533 3.0587 3.0891 3.1792 3.1826 3.5076 3.5189 3.7982 3.8986 7.9727 8.2111 9.6897 9.9377 10.5757 10.8437 12.1333 12.1669 12.2273 12.3714 k = 0.4034 0.2798 0.3468 ( 4090 PWs) bands (ev): -15.6004 -15.5987 -15.1118 -15.1060 -14.7318 -14.7303 -14.0970 -14.0935 -13.7509 -13.7470 -13.5488 -13.5415 -6.0591 -6.0475 -4.2293 -4.2256 -2.9627 -2.9419 -2.7814 -2.7630 -1.4943 -1.4797 -1.1462 -1.0805 -0.5715 -0.4108 -0.3080 -0.2431 0.1024 0.2059 0.5410 0.5527 1.1329 1.1342 1.3085 1.3457 1.8172 1.8745 2.2464 2.2651 2.8003 2.8746 3.0693 3.0989 3.1747 3.1792 3.5156 3.5247 3.8147 3.9124 7.9793 8.1958 9.7035 9.9283 10.5995 10.8429 12.1401 12.1679 12.2385 12.3726 k = 0.4146 0.2876 0.3468 ( 4098 PWs) bands (ev): -15.5723 -15.5706 -15.1103 -15.1059 -14.7560 -14.7553 -14.0957 -14.0919 -13.7565 -13.7524 -13.5547 -13.5476 -6.0772 -6.0664 -4.2037 -4.2012 -2.9750 -2.9551 -2.7762 -2.7582 -1.4536 -1.4409 -1.1273 -1.0643 -0.5604 -0.3960 -0.3462 -0.2716 0.0779 0.1722 0.5358 0.5485 1.1028 1.1033 1.2958 1.3280 1.8185 1.8772 2.2513 2.2690 2.8272 2.8937 3.0781 3.1073 3.1702 3.1754 3.5221 3.5296 3.8318 3.9249 7.9859 8.1791 9.7173 9.9181 10.6237 10.8412 12.1431 12.1653 12.2512 12.3748 k = 0.4258 0.2954 0.3468 ( 4096 PWs) bands (ev): -15.5455 -15.5439 -15.1105 -15.1077 -14.7776 -14.7767 -14.0938 -14.0896 -13.7623 -13.7580 -13.5604 -13.5537 -6.0934 -6.0835 -4.1794 -4.1781 -2.9873 -2.9682 -2.7693 -2.7516 -1.4175 -1.4069 -1.1099 -1.0505 -0.5495 -0.3908 -0.3726 -0.2992 0.0514 0.1367 0.5371 0.5512 1.0663 1.0676 1.2892 1.3170 1.8216 1.8811 2.2578 2.2746 2.8512 2.9105 3.0851 3.1144 3.1660 3.1714 3.5269 3.5333 3.8492 3.9363 7.9926 8.1611 9.7309 9.9072 10.6481 10.8383 12.1423 12.1602 12.2639 12.3782 k = 0.4370 0.3031 0.3468 ( 4096 PWs) bands (ev): -15.5209 -15.5193 -15.1121 -15.1109 -14.7962 -14.7943 -14.0913 -14.0868 -13.7681 -13.7636 -13.5658 -13.5596 -6.1077 -6.0986 -4.1568 -4.1562 -2.9994 -2.9810 -2.7607 -2.7432 -1.3871 -1.3784 -1.0942 -1.0395 -0.5392 -0.4204 -0.3606 -0.3253 0.0236 0.1006 0.5442 0.5599 1.0266 1.0281 1.2873 1.3111 1.8265 1.8864 2.2659 2.2818 2.8722 2.9246 3.0902 3.1202 3.1623 3.1672 3.5297 3.5355 3.8668 3.9464 7.9995 8.1423 9.7444 9.8958 10.6723 10.8343 12.1383 12.1533 12.2760 12.3826 k = 0.4482 0.3109 0.3468 ( 4099 PWs) bands (ev): -15.4991 -15.4976 -15.1149 -15.1143 -14.8114 -14.8084 -14.0881 -14.0833 -13.7739 -13.7693 -13.5710 -13.5654 -6.1201 -6.1118 -4.1370 -4.1353 -3.0112 -2.9935 -2.7502 -2.7329 -1.3631 -1.3562 -1.0804 -1.0317 -0.5308 -0.4485 -0.3504 -0.3431 -0.0048 0.0646 0.5566 0.5736 0.9850 0.9867 1.2886 1.3090 1.8334 1.8933 2.2752 2.2903 2.8901 2.9361 3.0934 3.1248 3.1592 3.1628 3.5304 3.5361 3.8844 3.9551 8.0065 8.1231 9.7577 9.8841 10.6959 10.8290 12.1315 12.1446 12.2874 12.3879 k = 0.4594 0.3187 0.3468 ( 4101 PWs) bands (ev): -15.4814 -15.4802 -15.1181 -15.1162 -14.8231 -14.8191 -14.0844 -14.0794 -13.7798 -13.7750 -13.5759 -13.5709 -6.1304 -6.1229 -4.1194 -4.1163 -3.0224 -3.0054 -2.7378 -2.7205 -1.3464 -1.3409 -1.0687 -1.0275 -0.5279 -0.4670 -0.3716 -0.3262 -0.0331 0.0297 0.5738 0.5918 0.9427 0.9448 1.2924 1.3098 1.8425 1.9019 2.2858 2.3001 2.9049 2.9447 3.0948 3.1281 3.1563 3.1585 3.5289 3.5350 3.9018 3.9622 8.0134 8.1041 9.7703 9.8727 10.7187 10.8223 12.1227 12.1341 12.2979 12.3937 k = 0.5000 0.3468-0.1676 ( 4086 PWs) bands (ev): -15.4406 -15.4406 -15.1613 -15.1613 -14.8184 -14.8184 -14.0530 -14.0530 -13.8162 -13.8162 -13.5573 -13.5573 -6.3117 -6.3117 -3.7881 -3.7881 -2.9155 -2.9155 -2.7966 -2.7966 -1.4891 -1.4891 -0.8976 -0.8976 -0.5765 -0.5765 -0.4908 -0.4908 -0.1781 -0.1781 0.7150 0.7150 0.9642 0.9642 1.3868 1.3868 1.8007 1.8007 2.3260 2.3260 2.8734 2.8734 3.0341 3.0341 3.1888 3.1888 3.6385 3.6385 3.9467 3.9467 8.0348 8.0348 9.8091 9.8091 10.8524 10.8524 12.1029 12.1029 12.4185 12.4185 k = 0.5075 0.3360-0.1676 ( 4084 PWs) bands (ev): -15.4415 -15.4415 -15.1613 -15.1609 -14.8177 -14.8176 -14.0530 -14.0528 -13.8163 -13.8162 -13.5574 -13.5570 -6.3111 -6.3111 -3.7898 -3.7897 -2.9158 -2.9157 -2.7953 -2.7953 -1.4949 -1.4876 -0.9098 -0.8860 -0.5913 -0.5608 -0.4906 -0.4906 -0.1775 -0.1765 0.7153 0.7154 0.9628 0.9645 1.3882 1.3887 1.8006 1.8012 2.3266 2.3267 2.8717 2.8746 3.0324 3.0363 3.1883 3.1885 3.6378 3.6386 3.9461 3.9463 8.0283 8.0426 9.8093 9.8093 10.8467 10.8559 12.0991 12.1062 12.4163 12.4163 k = 0.5151 0.3251-0.1676 ( 4088 PWs) bands (ev): -15.4444 -15.4443 -15.1611 -15.1603 -14.8153 -14.8151 -14.0528 -14.0523 -13.8167 -13.8165 -13.5573 -13.5566 -6.3093 -6.3093 -3.7946 -3.7945 -2.9165 -2.9164 -2.7915 -2.7914 -1.5050 -1.4905 -0.9223 -0.8754 -0.6041 -0.5463 -0.4906 -0.4884 -0.1748 -0.1727 0.7164 0.7166 0.9604 0.9636 1.3927 1.3939 1.8010 1.8022 2.3284 2.3286 2.8696 2.8754 3.0313 3.0390 3.1870 3.1875 3.6363 3.6380 3.9444 3.9448 8.0230 8.0517 9.8098 9.8100 10.8391 10.8572 12.0948 12.1090 12.4097 12.4099 k = 0.5226 0.3142-0.1676 ( 4090 PWs) bands (ev): -15.4491 -15.4490 -15.1605 -15.1593 -14.8114 -14.8111 -14.0522 -14.0516 -13.8173 -13.8170 -13.5570 -13.5560 -6.3064 -6.3063 -3.8025 -3.8023 -2.9177 -2.9175 -2.7852 -2.7851 -1.5189 -1.4975 -0.9350 -0.8666 -0.6144 -0.5368 -0.4906 -0.4807 -0.1700 -0.1669 0.7182 0.7185 0.9572 0.9619 1.4002 1.4021 1.8019 1.8037 2.3315 2.3318 2.8671 2.8756 3.0308 3.0421 3.1849 3.1857 3.6341 3.6367 3.9417 3.9422 8.0188 8.0620 9.8108 9.8111 10.8295 10.8564 12.0901 12.1112 12.3990 12.3994 k = 0.5301 0.3034-0.1676 ( 4090 PWs) bands (ev): -15.4556 -15.4554 -15.1597 -15.1581 -14.8060 -14.8057 -14.0515 -14.0506 -13.8181 -13.8178 -13.5566 -13.5553 -6.3023 -6.3022 -3.8133 -3.8131 -2.9193 -2.9191 -2.7765 -2.7765 -1.5365 -1.5086 -0.9479 -0.8605 -0.6219 -0.5348 -0.4903 -0.4652 -0.1630 -0.1591 0.7208 0.7212 0.9533 0.9594 1.4104 1.4133 1.8033 1.8057 2.3357 2.3361 2.8644 2.8752 3.0310 3.0455 3.1821 3.1831 3.6313 3.6346 3.9379 3.9385 8.0158 8.0737 9.8120 9.8128 10.8183 10.8533 12.0849 12.1128 12.3843 12.3850 k = 0.5377 0.2925-0.1676 ( 4092 PWs) bands (ev): -15.4638 -15.4636 -15.1585 -15.1565 -14.7993 -14.7988 -14.0504 -14.0494 -13.8191 -13.8187 -13.5560 -13.5544 -6.2970 -6.2969 -3.8269 -3.8265 -2.9214 -2.9211 -2.7658 -2.7657 -1.5572 -1.5233 -0.9610 -0.8579 -0.6266 -0.5387 -0.4891 -0.4438 -0.1540 -0.1493 0.7241 0.7247 0.9491 0.9564 1.4231 1.4271 1.8053 1.8082 2.3411 2.3416 2.8613 2.8739 3.0320 3.0493 3.1785 3.1797 3.6278 3.6320 3.9331 3.9338 8.0137 8.0866 9.8135 9.8149 10.8055 10.8479 12.0792 12.1139 12.3660 12.3670 k = 0.5452 0.2816-0.1676 ( 4096 PWs) bands (ev): -15.4735 -15.4733 -15.1571 -15.1547 -14.7912 -14.7907 -14.0492 -14.0479 -13.8204 -13.8198 -13.5553 -13.5533 -6.2906 -6.2904 -3.8428 -3.8424 -2.9240 -2.9236 -2.7531 -2.7530 -1.5808 -1.5414 -0.9747 -0.8591 -0.6293 -0.5461 -0.4860 -0.4190 -0.1431 -0.1377 0.7281 0.7290 0.9449 0.9533 1.4378 1.4432 1.8078 1.8113 2.3476 2.3482 2.8578 2.8719 3.0338 3.0532 3.1742 3.1756 3.6237 3.6286 3.9272 3.9281 8.0126 8.1008 9.8153 9.8176 10.7913 10.8403 12.0732 12.1144 12.3444 12.3460 k = 0.5528 0.2708-0.1676 ( 4092 PWs) bands (ev): -15.4847 -15.4844 -15.1554 -15.1526 -14.7820 -14.7814 -14.0477 -14.0462 -13.8218 -13.8212 -13.5543 -13.5520 -6.2830 -6.2828 -3.8609 -3.8605 -2.9270 -2.9266 -2.7387 -2.7386 -1.6068 -1.5625 -0.9889 -0.8644 -0.6313 -0.5560 -0.4799 -0.3919 -0.1303 -0.1243 0.7329 0.7340 0.9409 0.9502 1.4544 1.4613 1.8111 1.8151 2.3550 2.3558 2.8539 2.8689 3.0364 3.0574 3.1691 3.1708 3.6189 3.6246 3.9202 3.9213 8.0122 8.1161 9.8172 9.8208 10.7759 10.8306 12.0667 12.1142 12.3200 12.3222 k = 0.5603 0.2599-0.1676 ( 4090 PWs) bands (ev): -15.4972 -15.4969 -15.1534 -15.1503 -14.7717 -14.7710 -14.0459 -14.0443 -13.8234 -13.8227 -13.5532 -13.5506 -6.2743 -6.2741 -3.8810 -3.8805 -2.9304 -2.9300 -2.7229 -2.7227 -1.6348 -1.5861 -1.0038 -0.8732 -0.6342 -0.5678 -0.4700 -0.3635 -0.1158 -0.1093 0.7384 0.7398 0.9373 0.9475 1.4726 1.4812 1.8150 1.8196 2.3634 2.3643 2.8495 2.8651 3.0398 3.0616 3.1634 3.1653 3.6136 3.6200 3.9122 3.9134 8.0125 8.1325 9.8194 9.8246 10.7595 10.8189 12.0599 12.1133 12.2932 12.2963 k = 0.5678 0.2490-0.1676 ( 4090 PWs) bands (ev): -15.5109 -15.5106 -15.1511 -15.1476 -14.7605 -14.7598 -14.0439 -14.0421 -13.8251 -13.8244 -13.5519 -13.5490 -6.2645 -6.2643 -3.9026 -3.9021 -2.9342 -2.9337 -2.7058 -2.7056 -1.6646 -1.6120 -1.0195 -0.8851 -0.6390 -0.5811 -0.4557 -0.3340 -0.0997 -0.0929 0.7446 0.7464 0.9345 0.9453 1.4920 1.5026 1.8197 1.8248 2.3726 2.3737 2.8447 2.8603 3.0438 3.0659 3.1569 3.1591 3.6078 3.6148 3.9031 3.9045 8.0134 8.1500 9.8216 9.8290 10.7425 10.8054 12.0526 12.1117 12.2647 12.2686 k = 0.5754 0.2382-0.1676 ( 4084 PWs) bands (ev): -15.5257 -15.5254 -15.1486 -15.1448 -14.7485 -14.7477 -14.0417 -14.0398 -13.8270 -13.8262 -13.5504 -13.5473 -6.2536 -6.2534 -3.9257 -3.9251 -2.9384 -2.9379 -2.6877 -2.6875 -1.6957 -1.6398 -1.0361 -0.8996 -0.6463 -0.5958 -0.4373 -0.3037 -0.0823 -0.0753 0.7516 0.7539 0.9325 0.9440 1.5124 1.5252 1.8252 1.8309 2.3826 2.3838 2.8394 2.8546 3.0483 3.0701 3.1499 3.1524 3.6014 3.6090 3.8930 3.8946 8.0146 8.1684 9.8239 9.8340 10.7250 10.7901 12.0448 12.1091 12.2350 12.2398 k = 0.5829 0.2273-0.1676 ( 4082 PWs) bands (ev): -15.5415 -15.5412 -15.1459 -15.1417 -14.7358 -14.7350 -14.0392 -14.0372 -13.8291 -13.8282 -13.5488 -13.5453 -6.2417 -6.2414 -3.9498 -3.9493 -2.9429 -2.9424 -2.6688 -2.6685 -1.7280 -1.6691 -1.0536 -0.9161 -0.6562 -0.6117 -0.4154 -0.2729 -0.0636 -0.0566 0.7594 0.7622 0.9315 0.9435 1.5337 1.5487 1.8316 1.8378 2.3932 2.3946 2.8335 2.8479 3.0531 3.0740 3.1423 3.1453 3.5945 3.6027 3.8819 3.8836 8.0160 8.1875 9.8262 9.8395 10.7073 10.7734 12.0363 12.1052 12.2049 12.2104 k = 0.5904 0.2164-0.1676 ( 4080 PWs) bands (ev): -15.5582 -15.5578 -15.1429 -15.1383 -14.7226 -14.7217 -14.0365 -14.0344 -13.8313 -13.8303 -13.5469 -13.5432 -6.2287 -6.2284 -3.9749 -3.9743 -2.9478 -2.9472 -2.6493 -2.6490 -1.7611 -1.6997 -1.0719 -0.9343 -0.6683 -0.6287 -0.3906 -0.2417 -0.0440 -0.0371 0.7681 0.7714 0.9317 0.9441 1.5557 1.5731 1.8388 1.8456 2.4045 2.4060 2.8271 2.8405 3.0580 3.0774 3.1343 3.1378 3.5873 3.5959 3.8697 3.8716 8.0174 8.2073 9.8283 9.8455 10.6898 10.7555 12.0271 12.0992 12.1756 12.1811 k = 0.5980 0.2056-0.1676 ( 4076 PWs) bands (ev): -15.5756 -15.5753 -15.1397 -15.1348 -14.7088 -14.7079 -14.0336 -14.0313 -13.8336 -13.8325 -13.5448 -13.5409 -6.2147 -6.2144 -4.0006 -4.0001 -2.9529 -2.9523 -2.6293 -2.6289 -1.7949 -1.7314 -1.0911 -0.9540 -0.6823 -0.6465 -0.3637 -0.2104 -0.0237 -0.0170 0.7776 0.7817 0.9330 0.9459 1.5782 1.5981 1.8470 1.8542 2.4162 2.4178 2.8201 2.8322 3.0626 3.0798 3.1262 3.1305 3.5797 3.5887 3.8565 3.8586 8.0188 8.2276 9.8303 9.8520 10.6727 10.7366 12.0168 12.0891 12.1495 12.1524 k = 0.6055 0.1947-0.1676 ( 4074 PWs) bands (ev): -15.5937 -15.5934 -15.1364 -15.1311 -14.6947 -14.6937 -14.0305 -14.0281 -13.8359 -13.8348 -13.5426 -13.5384 -6.1998 -6.1994 -4.0269 -4.0264 -2.9584 -2.9577 -2.6090 -2.6086 -1.8292 -1.7638 -1.1110 -0.9748 -0.6977 -0.6651 -0.3353 -0.1791 -0.0030 0.0034 0.7882 0.7929 0.9355 0.9488 1.6011 1.6235 1.8561 1.8639 2.4284 2.4301 2.8125 2.8231 3.0664 3.0806 3.1183 3.1239 3.5718 3.5810 3.8423 3.8446 8.0199 8.2483 9.8320 9.8588 10.6565 10.7171 12.0049 12.0723 12.1252 12.1296 k = 0.6131 0.1838-0.1676 ( 4076 PWs) bands (ev): -15.6125 -15.6121 -15.1328 -15.1272 -14.6802 -14.6792 -14.0272 -14.0247 -13.8384 -13.8371 -13.5401 -13.5357 -6.1839 -6.1835 -4.0535 -4.0530 -2.9642 -2.9634 -2.5885 -2.5880 -1.8638 -1.7968 -1.1315 -0.9966 -0.7144 -0.6843 -0.3058 -0.1478 0.0180 0.0239 0.7997 0.8054 0.9393 0.9529 1.6243 1.6493 1.8661 1.8744 2.4408 2.4427 2.8042 2.8134 3.0684 3.0788 3.1116 3.1189 3.5637 3.5731 3.8271 3.8296 8.0205 8.2692 9.8332 9.8657 10.6414 10.6973 11.9910 12.0482 12.1004 12.1166 k = 0.6206 0.1730-0.1676 ( 4080 PWs) bands (ev): -15.6317 -15.6314 -15.1291 -15.1231 -14.6655 -14.6645 -14.0237 -14.0211 -13.8408 -13.8395 -13.5374 -13.5328 -6.1671 -6.1666 -4.0803 -4.0798 -2.9702 -2.9694 -2.5679 -2.5674 -1.8986 -1.8303 -1.1527 -1.0191 -0.7320 -0.7040 -0.2757 -0.1168 0.0388 0.0441 0.8124 0.8190 0.9443 0.9582 1.6476 1.6752 1.8771 1.8858 2.4536 2.4555 2.7954 2.8030 3.0670 3.0738 3.1074 3.1161 3.5554 3.5649 3.8109 3.8137 8.0206 8.2900 9.8339 9.8728 10.6279 10.6776 11.9744 12.0202 12.0787 12.1076 k = 0.3794-0.5470 0.0000 ( 4080 PWs) bands (ev): -15.6317 -15.6314 -15.1291 -15.1231 -14.6655 -14.6645 -14.0237 -14.0211 -13.8408 -13.8395 -13.5374 -13.5328 -6.1671 -6.1666 -4.0803 -4.0798 -2.9702 -2.9694 -2.5679 -2.5674 -1.8986 -1.8303 -1.1527 -1.0191 -0.7320 -0.7040 -0.2757 -0.1168 0.0388 0.0441 0.8124 0.8190 0.9443 0.9582 1.6476 1.6752 1.8771 1.8858 2.4536 2.4555 2.7954 2.8030 3.0670 3.0738 3.1074 3.1161 3.5554 3.5649 3.8109 3.8137 8.0206 8.2900 9.8339 9.8728 10.6279 10.6776 11.9744 12.0202 12.0787 12.1076 k = 0.3717-0.5358 0.0000 ( 4078 PWs) bands (ev): -15.6520 -15.6516 -15.1251 -15.1188 -14.6503 -14.6492 -14.0198 -14.0172 -13.8434 -13.8420 -13.5345 -13.5297 -6.1489 -6.1484 -4.1079 -4.1074 -2.9767 -2.9757 -2.5469 -2.5462 -1.9344 -1.8649 -1.1749 -1.0428 -0.7507 -0.7245 -0.2443 -0.0852 0.0597 0.0644 0.8267 0.8344 0.9507 0.9649 1.6718 1.7019 1.8892 1.8985 2.4669 2.4690 2.7857 2.7916 3.0614 3.0656 3.1063 3.1151 3.5468 3.5562 3.7933 3.7964 8.0200 8.3112 9.8338 9.8798 10.6162 10.6579 11.9547 11.9899 12.0599 12.1000 k = 0.3639-0.5247 0.0000 ( 4074 PWs) bands (ev): -15.6727 -15.6723 -15.1210 -15.1144 -14.6349 -14.6338 -14.0158 -14.0131 -13.8459 -13.8444 -13.5313 -13.5263 -6.1298 -6.1293 -4.1354 -4.1349 -2.9835 -2.9823 -2.5259 -2.5252 -1.9701 -1.8996 -1.1974 -1.0670 -0.7698 -0.7452 -0.2128 -0.0542 0.0799 0.0838 0.8424 0.8513 0.9584 0.9729 1.6959 1.7286 1.9023 1.9120 2.4804 2.4825 2.7753 2.7797 3.0525 3.0552 3.1075 3.1151 3.5382 3.5474 3.7747 3.7781 8.0186 8.3320 9.8329 9.8864 10.6070 10.6391 11.9325 11.9595 12.0447 12.0929 k = 0.3562-0.5135 0.0000 ( 4078 PWs) bands (ev): -15.6937 -15.6934 -15.1167 -15.1098 -14.6196 -14.6185 -14.0115 -14.0089 -13.8483 -13.8468 -13.5279 -13.5228 -6.1098 -6.1093 -4.1627 -4.1623 -2.9905 -2.9892 -2.5053 -2.5045 -2.0055 -1.9342 -1.2202 -1.0914 -0.7891 -0.7658 -0.1814 -0.0237 0.0990 0.1022 0.8595 0.8697 0.9673 0.9819 1.7200 1.7551 1.9161 1.9263 2.4939 2.4960 2.7643 2.7672 3.0414 3.0433 3.1097 3.1152 3.5297 3.5386 3.7552 3.7589 8.0163 8.3522 9.8309 9.8922 10.6009 10.6215 11.9087 11.9296 12.0322 12.0858 k = 0.3484-0.5023 0.0000 ( 4082 PWs) bands (ev): -15.7150 -15.7147 -15.1124 -15.1052 -14.6042 -14.6031 -14.0071 -14.0045 -13.8507 -13.8492 -13.5243 -13.5190 -6.0891 -6.0885 -4.1898 -4.1894 -2.9978 -2.9963 -2.4850 -2.4842 -2.0406 -1.9686 -1.2430 -1.1160 -0.8084 -0.7862 -0.1502 0.0061 0.1169 0.1192 0.8780 0.8898 0.9775 0.9921 1.7441 1.7814 1.9307 1.9413 2.5073 2.5095 2.7527 2.7542 3.0291 3.0306 3.1118 3.1149 3.5214 3.5298 3.7348 3.7388 8.0129 8.3716 9.8276 9.8970 10.5982 10.6056 11.8841 11.9005 12.0217 12.0784 k = 0.3407-0.4912 0.0000 ( 4082 PWs) bands (ev): -15.7366 -15.7363 -15.1079 -15.1005 -14.5890 -14.5879 -14.0025 -13.9999 -13.8530 -13.8514 -13.5204 -13.5151 -6.0675 -6.0669 -4.2164 -4.2161 -3.0055 -3.0037 -2.4652 -2.4643 -2.0752 -2.0026 -1.2658 -1.1404 -0.8273 -0.8061 -0.1195 0.0351 0.1333 0.1347 0.8979 0.9114 0.9889 1.0034 1.7679 1.8073 1.9460 1.9570 2.5207 2.5228 2.7405 2.7407 3.0160 3.0172 3.1134 3.1140 3.5133 3.5212 3.7135 3.7179 8.0086 8.3901 9.8229 9.9004 10.5918 10.5993 11.8594 11.8723 12.0129 12.0706 k = 0.3329-0.4800 0.0000 ( 4078 PWs) bands (ev): -15.7583 -15.7580 -15.1035 -15.0957 -14.5740 -14.5728 -13.9977 -13.9951 -13.8551 -13.8534 -13.5164 -13.5109 -6.0452 -6.0445 -4.2426 -4.2424 -3.0134 -3.0113 -2.4460 -2.4451 -2.1093 -2.0362 -1.2883 -1.1647 -0.8458 -0.8254 -0.0894 0.0631 0.1480 0.1486 0.9190 0.9346 1.0017 1.0157 1.7916 1.8327 1.9619 1.9732 2.5337 2.5359 2.7269 2.7278 3.0025 3.0034 3.1123 3.1142 3.5056 3.5128 3.6915 3.6962 8.0032 8.4073 9.8168 9.9022 10.5801 10.6045 11.8350 11.8453 12.0054 12.0625 k = 0.3252-0.4688 0.0000 ( 4076 PWs) bands (ev): -15.7802 -15.7799 -15.0989 -15.0909 -14.5592 -14.5580 -13.9928 -13.9902 -13.8570 -13.8553 -13.5121 -13.5066 -6.0222 -6.0214 -4.2683 -4.2681 -3.0218 -3.0193 -2.4276 -2.4265 -2.1428 -2.0693 -1.3104 -1.1885 -0.8635 -0.8439 -0.0600 0.0900 0.1607 0.1611 0.9409 0.9591 1.0159 1.0290 1.8150 1.8576 1.9782 1.9897 2.5463 2.5486 2.7127 2.7146 2.9887 2.9893 3.1095 3.1138 3.4982 3.5048 3.6687 3.6739 7.9969 8.4233 9.8091 9.9023 10.5709 10.6139 11.8111 11.8192 11.9989 12.0539 k = 0.3175-0.4577 0.0000 ( 4080 PWs) bands (ev): -15.8021 -15.8019 -15.0944 -15.0861 -14.5447 -14.5435 -13.9876 -13.9852 -13.8587 -13.8570 -13.5077 -13.5021 -5.9985 -5.9977 -4.2934 -4.2933 -3.0305 -3.0276 -2.4101 -2.4088 -2.1754 -2.1016 -1.3319 -1.2118 -0.8801 -0.8612 -0.0315 0.1155 0.1709 0.1727 0.9632 0.9846 1.0320 1.0435 1.8380 1.8818 1.9948 2.0066 2.5583 2.5607 2.6983 2.7011 2.9750 2.9753 3.1057 3.1122 3.4913 3.4971 3.6452 3.6509 7.9897 8.4378 9.8000 9.9007 10.5641 10.6273 11.7879 11.7943 11.9934 12.0449 k = 0.3097-0.4465 0.0000 ( 4084 PWs) bands (ev): -15.8241 -15.8239 -15.0898 -15.0814 -14.5305 -14.5293 -13.9823 -13.9800 -13.8601 -13.8584 -13.5030 -13.4974 -5.9742 -5.9734 -4.3178 -4.3178 -3.0396 -3.0363 -2.3936 -2.3922 -2.2072 -2.1333 -1.3527 -1.2343 -0.8956 -0.8773 -0.0040 0.1388 0.1795 0.1833 0.9852 1.0106 1.0503 1.0596 1.8607 1.9053 2.0117 2.0236 2.5694 2.5720 2.6838 2.6874 2.9614 2.9614 3.1008 3.1093 3.4848 3.4899 3.6212 3.6273 7.9816 8.4507 9.7894 9.8973 10.5597 10.6447 11.7654 11.7703 11.9890 12.0355 k = 0.3020-0.4353 0.0000 ( 4092 PWs) bands (ev): -15.8462 -15.8459 -15.0853 -15.0766 -14.5168 -14.5155 -13.9769 -13.9747 -13.8612 -13.8595 -13.4981 -13.4925 -5.9494 -5.9485 -4.3416 -4.3416 -3.0491 -3.0454 -2.3783 -2.3767 -2.2380 -2.1641 -1.3727 -1.2560 -0.9096 -0.8918 0.0223 0.1587 0.1865 0.1945 1.0061 1.0358 1.0715 1.0779 1.8830 1.9278 2.0287 2.0406 2.5791 2.5822 2.6694 2.6740 2.9479 2.9482 3.0949 3.1050 3.4788 3.4832 3.5966 3.6033 7.9729 8.4621 9.7775 9.8924 10.5575 10.6656 11.7436 11.7472 11.9857 12.0257 k = 0.2942-0.4242 0.0000 ( 4092 PWs) bands (ev): -15.8681 -15.8679 -15.0808 -15.0719 -14.5035 -14.5022 -13.9713 -13.9692 -13.8620 -13.8602 -13.4930 -13.4874 -5.9240 -5.9230 -4.3647 -4.3646 -3.0591 -3.0550 -2.3645 -2.3625 -2.2676 -2.1939 -1.3916 -1.2767 -0.9218 -0.9046 0.0471 0.1726 0.1920 0.2084 1.0254 1.0589 1.0955 1.0998 1.9048 1.9494 2.0457 2.0575 2.5866 2.5905 2.6556 2.6614 2.9351 2.9358 3.0878 3.0992 3.4733 3.4769 3.5716 3.5789 7.9636 8.4719 9.7645 9.8862 10.5572 10.6896 11.7224 11.7250 11.9836 12.0158 k = 0.2865-0.4130 0.0000 ( 4094 PWs) bands (ev): -15.8900 -15.8898 -15.0763 -15.0673 -14.4907 -14.4893 -13.9656 -13.9636 -13.8624 -13.8606 -13.4878 -13.4822 -5.8981 -5.8971 -4.3871 -4.3868 -3.0696 -3.0650 -2.3529 -2.3498 -2.2956 -2.2229 -1.4093 -1.2961 -0.9321 -0.9154 0.0702 0.1801 0.1965 0.2257 1.0431 1.0791 1.1222 1.1256 1.9260 1.9699 2.0625 2.0742 2.5906 2.5957 2.6436 2.6507 2.9233 2.9243 3.0797 3.0921 3.4683 3.4711 3.5464 3.5543 7.9539 8.4800 9.7507 9.8788 10.5584 10.7160 11.7018 11.7034 11.9827 12.0057 k = 0.2787-0.4019 0.0000 ( 4092 PWs) bands (ev): -15.9118 -15.9116 -15.0719 -15.0628 -14.4784 -14.4771 -13.9598 -13.9580 -13.8624 -13.8605 -13.4824 -13.4768 -5.8718 -5.8707 -4.4086 -4.4083 -3.0806 -3.0755 -2.3463 -2.3388 -2.3190 -2.2508 -1.4258 -1.3143 -0.9402 -0.9239 0.0911 0.1833 0.2005 0.2444 1.0595 1.0970 1.1509 1.1543 1.9466 1.9891 2.0790 2.0904 2.5893 2.5953 2.6356 2.6437 2.9127 2.9141 3.0705 3.0835 3.4636 3.4657 3.5209 3.5296 7.9440 8.4864 9.7364 9.8707 10.5609 10.7443 11.6815 11.6825 11.9833 11.9956 k = 0.2710-0.3907 0.0000 ( 4092 PWs) bands (ev): -15.9334 -15.9333 -15.0677 -15.0584 -14.4668 -14.4654 -13.9539 -13.9522 -13.8619 -13.8601 -13.4768 -13.4714 -5.8451 -5.8440 -4.4293 -4.4289 -3.0921 -3.0865 -2.3581 -2.3298 -2.3248 -2.2775 -1.4408 -1.3310 -0.9458 -0.9300 0.1091 0.1837 0.2047 0.2629 1.0750 1.1136 1.1808 1.1847 1.9665 2.0069 2.0952 2.1061 2.5823 2.5879 2.6328 2.6405 2.9037 2.9054 3.0605 3.0737 3.4593 3.4605 3.4955 3.5051 7.9340 8.4914 9.7217 9.8620 10.5640 10.7737 11.6617 11.6621 11.9853 11.9857 k = 0.2633-0.3795 0.0000 ( 4090 PWs) bands (ev): -15.9549 -15.9547 -15.0635 -15.0541 -14.4558 -14.4544 -13.9478 -13.9463 -13.8609 -13.8591 -13.4711 -13.4657 -5.8180 -5.8169 -4.4491 -4.4486 -3.1042 -3.0981 -2.3812 -2.3234 -2.3200 -2.3025 -1.4542 -1.3461 -0.9488 -0.9335 0.1233 0.1821 0.2102 0.2806 1.0898 1.1293 1.2114 1.2158 1.9855 2.0231 2.1108 2.1212 2.5712 2.5760 2.6326 2.6395 2.8966 2.8987 3.0497 3.0627 3.4546 3.4551 3.4703 3.4817 7.9242 8.4948 9.7071 9.8531 10.5674 10.8035 11.6421 11.6421 11.9762 11.9889 k = 0.2555-0.3684 0.0000 ( 4088 PWs) bands (ev): -15.9761 -15.9759 -15.0594 -15.0499 -14.4454 -14.4440 -13.9417 -13.9403 -13.8595 -13.8577 -13.4653 -13.4600 -5.7908 -5.7896 -4.4680 -4.4674 -3.1167 -3.1102 -2.4050 -2.3311 -2.3155 -2.3144 -1.4660 -1.3596 -0.9491 -0.9342 0.1328 0.1789 0.2177 0.2972 1.1041 1.1446 1.2423 1.2470 2.0035 2.0376 2.1257 2.1356 2.5582 2.5621 2.6324 2.6386 2.8915 2.8940 3.0381 3.0506 3.4435 3.4443 3.4531 3.4632 7.9147 8.4969 9.6927 9.8441 10.5707 10.8329 11.6223 11.6226 11.9675 11.9942 k = 0.2478-0.3572 0.0000 ( 4090 PWs) bands (ev): -15.9971 -15.9969 -15.0554 -15.0459 -14.4358 -14.4344 -13.9354 -13.9342 -13.8575 -13.8557 -13.4594 -13.4542 -5.7633 -5.7620 -4.4860 -4.4852 -3.1298 -3.1229 -2.4280 -2.3537 -2.3127 -2.3127 -1.4760 -1.3714 -0.9464 -0.9320 0.1376 0.1743 0.2277 0.3125 1.1179 1.1594 1.2728 1.2779 2.0205 2.0501 2.1399 2.1490 2.5447 2.5475 2.6310 2.6364 2.8886 2.8915 3.0259 3.0376 3.4192 3.4249 3.4491 3.4544 7.9057 8.4976 9.6788 9.8354 10.5734 10.8612 11.6027 11.6031 11.9596 12.0010 k = 0.2400-0.3460 0.0000 ( 4090 PWs) bands (ev): -16.0177 -16.0176 -15.0516 -15.0421 -14.4269 -14.4254 -13.9291 -13.9281 -13.8550 -13.8532 -13.4533 -13.4483 -5.7357 -5.7344 -4.5029 -4.5021 -3.1433 -3.1361 -2.4501 -2.3764 -2.3121 -2.3120 -1.4842 -1.3813 -0.9406 -0.9268 0.1383 0.1687 0.2394 0.3264 1.1314 1.1739 1.3028 1.3081 2.0361 2.0604 2.1530 2.1614 2.5314 2.5330 2.6279 2.6327 2.8878 2.8910 3.0132 3.0238 3.3949 3.4022 3.4458 3.4496 7.8973 8.4973 9.6655 9.8270 10.5752 10.8876 11.5832 11.5837 11.9531 12.0094 k = 0.2323-0.3349 0.0000 ( 4094 PWs) bands (ev): -16.0381 -16.0380 -15.0479 -15.0384 -14.4188 -14.4173 -13.9227 -13.9218 -13.8519 -13.8502 -13.4472 -13.4423 -5.7080 -5.7067 -4.5189 -4.5179 -3.1573 -3.1498 -2.4712 -2.3983 -2.3136 -2.3135 -1.4904 -1.3893 -0.9318 -0.9185 0.1360 0.1621 0.2519 0.3388 1.1446 1.1880 1.3319 1.3372 2.0501 2.0682 2.1652 2.1727 2.5188 2.5189 2.6233 2.6272 2.8888 2.8923 3.0001 3.0092 3.3713 3.3793 3.4427 3.4459 7.8897 8.4959 9.6532 9.8191 10.5758 10.9114 11.5636 11.5641 11.9481 12.0192 k = 0.2245-0.3237 0.0000 ( 4088 PWs) bands (ev): -16.0581 -16.0580 -15.0444 -15.0349 -14.4113 -14.4098 -13.9163 -13.9156 -13.8484 -13.8467 -13.4411 -13.4363 -5.6804 -5.6790 -4.5338 -4.5327 -3.1717 -3.1639 -2.4912 -2.4194 -2.3174 -2.3173 -1.4947 -1.3953 -0.9199 -0.9071 0.1316 0.1547 0.2645 0.3497 1.1575 1.2018 1.3598 1.3651 2.0624 2.0733 2.1761 2.1828 2.5054 2.5078 2.6174 2.6204 2.8912 2.8952 2.9868 2.9942 3.3485 3.3568 3.4397 3.4424 7.8832 8.4936 9.6419 9.8120 10.5751 10.9318 11.5440 11.5444 11.9450 12.0304 k = 0.2168-0.3126 0.0000 ( 4088 PWs) bands (ev): -16.0777 -16.0776 -15.0410 -15.0316 -14.4047 -14.4031 -13.9098 -13.9093 -13.8443 -13.8426 -13.4348 -13.4302 -5.6528 -5.6514 -4.5476 -4.5465 -3.1864 -3.1785 -2.5103 -2.4396 -2.3234 -2.3232 -1.4971 -1.3995 -0.9049 -0.8926 0.1257 0.1467 0.2766 0.3591 1.1702 1.2152 1.3862 1.3913 2.0727 2.0756 2.1858 2.1916 2.4929 2.4984 2.6105 2.6123 2.8945 2.8991 2.9734 2.9788 3.3267 3.3352 3.4367 3.4392 7.8777 8.4906 9.6319 9.8058 10.5729 10.9484 11.5242 11.5246 11.9440 12.0427 k = 0.2091-0.3014 0.0000 ( 4094 PWs) bands (ev): -16.0969 -16.0968 -15.0378 -15.0285 -14.3987 -14.3972 -13.9034 -13.9030 -13.8397 -13.8381 -13.4286 -13.4241 -5.6255 -5.6240 -4.5603 -4.5591 -3.2013 -3.1933 -2.5284 -2.4590 -2.3315 -2.3313 -1.4974 -1.4017 -0.8869 -0.8753 0.1187 0.1381 0.2879 0.3669 1.1825 1.2281 1.4109 1.4158 2.0748 2.0806 2.1941 2.1991 2.4818 2.4909 2.6030 2.6033 2.8981 2.9038 2.9603 2.9632 3.3063 3.3147 3.4338 3.4359 7.8735 8.4870 9.6232 9.8005 10.5691 10.9607 11.5043 11.5047 11.9453 12.0559 k = 0.2013-0.2902 0.0000 ( 4086 PWs) bands (ev): -16.1157 -16.1156 -15.0348 -15.0255 -14.3935 -14.3919 -13.8969 -13.8966 -13.8347 -13.8331 -13.4224 -13.4181 -5.5984 -5.5969 -4.5719 -4.5705 -3.2165 -3.2084 -2.5455 -2.4776 -2.3417 -2.3414 -1.4958 -1.4020 -0.8662 -0.8551 0.1110 0.1292 0.2982 0.3733 1.1944 1.2405 1.4337 1.4383 2.0711 2.0859 2.2010 2.2052 2.4722 2.4855 2.5937 2.5950 2.9012 2.9087 2.9476 2.9480 3.2872 3.2954 3.4308 3.4326 7.8706 8.4829 9.6159 9.7962 10.5639 10.9684 11.4841 11.4845 11.9490 12.0699 k = 0.1936-0.2791 0.0000 ( 4082 PWs) bands (ev): -16.1340 -16.1339 -15.0319 -15.0228 -14.3889 -14.3874 -13.8904 -13.8903 -13.8292 -13.8277 -13.4162 -13.4120 -5.5718 -5.5702 -4.5822 -4.5807 -3.2318 -3.2237 -2.5619 -2.4956 -2.3538 -2.3534 -1.4923 -1.4004 -0.8427 -0.8322 0.1028 0.1201 0.3075 0.3781 1.2060 1.2523 1.4545 1.4587 2.0645 2.0885 2.2065 2.2100 2.4644 2.4821 2.5838 2.5869 2.9021 2.9133 2.9325 2.9378 3.2698 3.2777 3.4277 3.4293 7.8691 8.4784 9.6101 9.7931 10.5572 10.9712 11.4637 11.4641 11.9551 12.0842 k = 0.1858-0.2679 0.0000 ( 4084 PWs) bands (ev): -16.1518 -16.1517 -15.0292 -15.0202 -14.3851 -14.3835 -13.8840 -13.8840 -13.8234 -13.8219 -13.4100 -13.4060 -5.5457 -5.5441 -4.5912 -4.5897 -3.2471 -3.2391 -2.5774 -2.5128 -2.3676 -2.3671 -1.4869 -1.3970 -0.8168 -0.8069 0.0943 0.1108 0.3155 0.3816 1.2172 1.2634 1.4731 1.4768 2.0554 2.0881 2.2108 2.2135 2.4585 2.4806 2.5736 2.5787 2.8986 2.9125 2.9227 2.9321 3.2542 3.2615 3.4245 3.4258 7.8691 8.4735 9.6059 9.7913 10.5492 10.9693 11.4430 11.4435 11.9633 12.0987 k = 0.1781-0.2567 0.0000 ( 4084 PWs) bands (ev): -16.1690 -16.1690 -15.0267 -15.0179 -14.3818 -14.3802 -13.8777 -13.8776 -13.8172 -13.8158 -13.4039 -13.4001 -5.5202 -5.5185 -4.5990 -4.5973 -3.2624 -3.2545 -2.5921 -2.5294 -2.3829 -2.3824 -1.4797 -1.3919 -0.7887 -0.7795 0.0857 0.1014 0.3224 0.3836 1.2278 1.2736 1.4894 1.4926 2.0441 2.0848 2.2138 2.2158 2.4544 2.4806 2.5633 2.5706 2.8902 2.8995 2.9252 2.9313 3.2404 3.2471 3.4212 3.4222 7.8707 8.4684 9.6034 9.7908 10.5400 10.9628 11.4220 11.4227 11.9735 12.1132 k = 0.1703-0.2456 0.0000 ( 4082 PWs) bands (ev): -16.1858 -16.1857 -15.0243 -15.0157 -14.3791 -14.3775 -13.8715 -13.8713 -13.8107 -13.8094 -13.3979 -13.3942 -5.4954 -5.4937 -4.6054 -4.6037 -3.2775 -3.2698 -2.6062 -2.5455 -2.3997 -2.3990 -1.4708 -1.3851 -0.7587 -0.7500 0.0770 0.0922 0.3282 0.3844 1.2378 1.2828 1.5034 1.5059 2.0311 2.0788 2.2156 2.2170 2.4520 2.4818 2.5530 2.5626 2.8791 2.8850 2.9291 2.9329 3.2285 3.2344 3.4178 3.4185 7.8738 8.4632 9.6026 9.7917 10.5300 10.9520 11.4006 11.4015 11.9853 12.1273 k = 0.1626-0.2344 0.0000 ( 4082 PWs) bands (ev): -16.2019 -16.2019 -15.0221 -15.0137 -14.3769 -14.3753 -13.8654 -13.8650 -13.8040 -13.8028 -13.3919 -13.3885 -5.4715 -5.4698 -4.6104 -4.6086 -3.2925 -3.2850 -2.6195 -2.5609 -2.4176 -2.4169 -1.4602 -1.3768 -0.7270 -0.7189 0.0686 0.0833 0.3329 0.3841 1.2469 1.2908 1.5150 1.5169 2.0170 2.0703 2.2165 2.2174 2.4510 2.4836 2.5426 2.5545 2.8673 2.8709 2.9328 2.9354 3.2184 3.2236 3.4142 3.4146 7.8786 8.4577 9.6036 9.7940 10.5193 10.9373 11.3790 11.3800 11.9983 12.1410 k = 0.1549-0.2233 0.0000 ( 4082 PWs) bands (ev): -16.2175 -16.2174 -15.0200 -15.0119 -14.3752 -14.3737 -13.8593 -13.8589 -13.7972 -13.7960 -13.3861 -13.3829 -5.4485 -5.4468 -4.6140 -4.6121 -3.3072 -3.2999 -2.6323 -2.5758 -2.4365 -2.4357 -1.4482 -1.3672 -0.6939 -0.6865 0.0604 0.0746 0.3365 0.3826 1.2551 1.2973 1.5244 1.5257 2.0023 2.0598 2.2166 2.2172 2.4510 2.4856 2.5323 2.5464 2.8556 2.8575 2.9360 2.9380 3.2102 3.2147 3.4104 3.4106 7.8849 8.4521 9.6064 9.7977 10.5082 10.9191 11.3568 11.3581 12.0123 12.1540 k = 0.1471-0.2121 0.0000 ( 4078 PWs) bands (ev): -16.2324 -16.2324 -15.0181 -15.0103 -14.3739 -14.3724 -13.8534 -13.8529 -13.7903 -13.7892 -13.3804 -13.3774 -5.4266 -5.4250 -4.6161 -4.6143 -3.3215 -3.3145 -2.6444 -2.5902 -2.4562 -2.4552 -1.4349 -1.3563 -0.6598 -0.6530 0.0527 0.0665 0.3392 0.3803 1.2621 1.3020 1.5317 1.5324 1.9874 2.0477 2.2161 2.2165 2.4513 2.4871 2.5223 2.5383 2.8445 2.8450 2.9389 2.9405 3.2036 3.2074 3.4064 3.4066 7.8928 8.4464 9.6110 9.8030 10.4971 10.8979 11.3343 11.3358 12.0269 12.1662 k = 0.1394-0.2009 0.0000 ( 4074 PWs) bands (ev): -16.2468 -16.2467 -15.0164 -15.0088 -14.3730 -14.3716 -13.8476 -13.8471 -13.7833 -13.7822 -13.3749 -13.3720 -5.4060 -5.4043 -4.6169 -4.6150 -3.3354 -3.3288 -2.6559 -2.6041 -2.4764 -2.4754 -1.4203 -1.3443 -0.6250 -0.6189 0.0455 0.0589 0.3410 0.3771 1.2677 1.3048 1.5369 1.5373 1.9727 2.0345 2.2152 2.2156 2.4516 2.4869 2.5133 2.5301 2.8335 2.8341 2.9415 2.9430 3.1985 3.2016 3.4021 3.4026 7.9023 8.4404 9.6174 9.8097 10.4861 10.8743 11.3112 11.3130 12.0418 12.1775 k = 0.1316-0.1898 0.0000 ( 4080 PWs) bands (ev): -16.2604 -16.2604 -15.0148 -15.0075 -14.3725 -14.3711 -13.8420 -13.8414 -13.7763 -13.7753 -13.3696 -13.3669 -5.3866 -5.3849 -4.6162 -4.6143 -3.3489 -3.3425 -2.6668 -2.6174 -2.4970 -2.4959 -1.4046 -1.3315 -0.5899 -0.5845 0.0391 0.0521 0.3420 0.3733 1.2718 1.3054 1.5403 1.5406 1.9587 2.0206 2.2140 2.2146 2.4512 2.4831 2.5069 2.5219 2.8232 2.8247 2.9439 2.9454 3.1947 3.1972 3.3976 3.3984 7.9132 8.4343 9.6256 9.8179 10.4755 10.8486 11.2875 11.2896 12.0566 12.1878 k = 0.1239-0.1786 0.0000 ( 4070 PWs) bands (ev): -16.2734 -16.2734 -15.0133 -15.0064 -14.3722 -14.3708 -13.8366 -13.8360 -13.7694 -13.7685 -13.3644 -13.3619 -5.3685 -5.3668 -4.6142 -4.6123 -3.3618 -3.3558 -2.6772 -2.6303 -2.5178 -2.5166 -1.3881 -1.3179 -0.5549 -0.5501 0.0336 0.0462 0.3423 0.3690 1.2742 1.3036 1.5421 1.5425 1.9457 2.0065 2.2128 2.2137 2.4496 2.4750 2.5036 2.5140 2.8143 2.8165 2.9461 2.9478 3.1920 3.1941 3.3932 3.3942 7.9256 8.4278 9.6356 9.8275 10.4658 10.8214 11.2632 11.2656 12.0712 12.1971 k = 0.1161-0.1674 0.0000 ( 4072 PWs) bands (ev): -16.2857 -16.2856 -15.0120 -15.0054 -14.3722 -14.3709 -13.8314 -13.8307 -13.7626 -13.7618 -13.3595 -13.3572 -5.3518 -5.3502 -4.6108 -4.6090 -3.3742 -3.3685 -2.6870 -2.6427 -2.5386 -2.5373 -1.3709 -1.3038 -0.5204 -0.5163 0.0291 0.0414 0.3420 0.3643 1.2747 1.2994 1.5425 1.5434 1.9338 1.9926 2.2116 2.2129 2.4462 2.4642 2.5016 2.5065 2.8067 2.8096 2.9483 2.9501 3.1902 3.1918 3.3886 3.3899 7.9393 8.4210 9.6474 9.8384 10.4570 10.7932 11.2383 11.2409 12.0854 12.2054 k = 0.1084-0.1563 0.0000 ( 4075 PWs) bands (ev): -16.2972 -16.2972 -15.0107 -15.0045 -14.3724 -14.3711 -13.8263 -13.8257 -13.7560 -13.7552 -13.3548 -13.3527 -5.3365 -5.3350 -4.6063 -4.6045 -3.3859 -3.3806 -2.6963 -2.6546 -2.5590 -2.5577 -1.3532 -1.2894 -0.4867 -0.4833 0.0259 0.0377 0.3412 0.3594 1.2732 1.2927 1.5417 1.5434 1.9234 1.9794 2.2106 2.2124 2.4408 2.4521 2.4995 2.4996 2.8006 2.8041 2.9505 2.9525 3.1891 3.1904 3.3841 3.3856 7.9543 8.4138 9.6608 9.8504 10.4495 10.7643 11.2128 11.2156 12.0991 12.2125 k = 0.1007-0.1451 0.0000 ( 4073 PWs) bands (ev): -16.3081 -16.3081 -15.0096 -15.0037 -14.3727 -14.3715 -13.8216 -13.8209 -13.7496 -13.7489 -13.3504 -13.3484 -5.3227 -5.3212 -4.6008 -4.5990 -3.3970 -3.3920 -2.7050 -2.6660 -2.5791 -2.5777 -1.3352 -1.2748 -0.4545 -0.4517 0.0241 0.0355 0.3400 0.3544 1.2697 1.2839 1.5399 1.5425 1.9146 1.9671 2.2099 2.2122 2.4334 2.4394 2.4933 2.4966 2.7961 2.8000 2.9526 2.9548 3.1886 3.1897 3.3795 3.3812 7.9704 8.4061 9.6758 9.8634 10.4435 10.7352 11.1866 11.1896 12.1122 12.2186 k = 0.0929-0.1340 0.0000 ( 4069 PWs) bands (ev): -16.3182 -16.3182 -15.0086 -15.0031 -14.3732 -14.3720 -13.8171 -13.8164 -13.7435 -13.7429 -13.3462 -13.3444 -5.3103 -5.3089 -4.5943 -4.5926 -3.4074 -3.4028 -2.7132 -2.6770 -2.5984 -2.5970 -1.3171 -1.2604 -0.4241 -0.4220 0.0239 0.0348 0.3385 0.3494 1.2643 1.2733 1.5372 1.5409 1.9075 1.9560 2.2094 2.2122 2.4243 2.4264 2.4873 2.4929 2.7929 2.7971 2.9548 2.9571 3.1885 3.1894 3.3751 3.3769 7.9877 8.3977 9.6924 9.8771 10.4392 10.7064 11.1599 11.1630 12.1246 12.2237 k = 0.0852-0.1228 0.0000 ( 4063 PWs) bands (ev): -16.3275 -16.3275 -15.0077 -15.0026 -14.3737 -14.3726 -13.8128 -13.8122 -13.7378 -13.7372 -13.3423 -13.3406 -5.2992 -5.2980 -4.5871 -4.5855 -3.4170 -3.4128 -2.7209 -2.6876 -2.6168 -2.6155 -1.2992 -1.2463 -0.3959 -0.3944 0.0254 0.0357 0.3367 0.3446 1.2571 1.2612 1.5339 1.5385 1.9021 1.9464 2.2093 2.2126 2.4134 2.4140 2.4815 2.4883 2.7911 2.7954 2.9568 2.9593 3.1888 3.1895 3.3708 3.3727 8.0058 8.3886 9.7102 9.8911 10.4366 10.6783 11.1328 11.1359 12.1362 12.2277 k = 0.0774-0.1116 0.0000 ( 4061 PWs) bands (ev): -16.3361 -16.3361 -15.0068 -15.0022 -14.3743 -14.3733 -13.8089 -13.8083 -13.7324 -13.7318 -13.3387 -13.3372 -5.2895 -5.2883 -4.5795 -4.5780 -3.4259 -3.4220 -2.7281 -2.6979 -2.6340 -2.6329 -1.2816 -1.2328 -0.3704 -0.3694 0.0286 0.0383 0.3348 0.3401 1.2481 1.2483 1.5300 1.5354 1.8983 1.9382 2.2095 2.2132 2.4006 2.4028 2.4757 2.4829 2.7904 2.7948 2.9588 2.9614 3.1892 3.1899 3.3666 3.3685 8.0248 8.3788 9.7293 9.9052 10.4359 10.6513 11.1054 11.1086 12.1472 12.2309 k = 0.0697-0.1005 0.0000 ( 4067 PWs) bands (ev): -16.3439 -16.3439 -15.0061 -15.0019 -14.3749 -14.3740 -13.8053 -13.8048 -13.7274 -13.7269 -13.3353 -13.3340 -5.2810 -5.2800 -4.5716 -4.5702 -3.4339 -3.4304 -2.7349 -2.7078 -2.6498 -2.6490 -1.2645 -1.2200 -0.3478 -0.3472 0.0336 0.0425 0.3328 0.3359 1.2345 1.2384 1.5257 1.5317 1.8962 1.9315 2.2100 2.2140 2.3881 2.3913 2.4697 2.4769 2.7906 2.7949 2.9607 2.9632 3.1898 3.1904 3.3627 3.3646 8.0445 8.3681 9.7494 9.9186 10.4371 10.6258 11.0780 11.0811 12.1574 12.2331 k = 0.0619-0.0893 0.0000 ( 4067 PWs) bands (ev): -16.3509 -16.3509 -15.0054 -15.0016 -14.3755 -14.3747 -13.8020 -13.8015 -13.7228 -13.7224 -13.3323 -13.3311 -5.2737 -5.2728 -4.5637 -4.5624 -3.4412 -3.4381 -2.7412 -2.7174 -2.6639 -2.6637 -1.2483 -1.2081 -0.3283 -0.3281 0.0401 0.0482 0.3309 0.3322 1.2210 1.2276 1.5212 1.5275 1.8954 1.9262 2.2108 2.2151 2.3762 2.3799 2.4638 2.4707 2.7916 2.7956 2.9624 2.9649 3.1906 3.1911 3.3590 3.3609 8.0647 8.3565 9.7702 9.9310 10.4401 10.6023 11.0510 11.0538 12.1669 12.2344 k = 0.0542-0.0781 0.0000 ( 4073 PWs) bands (ev): -16.3571 -16.3571 -15.0048 -15.0015 -14.3761 -14.3754 -13.7991 -13.7986 -13.7187 -13.7183 -13.3296 -13.3286 -5.2676 -5.2667 -4.5560 -4.5549 -3.4476 -3.4449 -2.7470 -2.7267 -2.6766 -2.6763 -1.2330 -1.1975 -0.3120 -0.3120 0.0478 0.0549 0.3289 0.3290 1.2079 1.2164 1.5166 1.5228 1.8957 1.9222 2.2118 2.2162 2.3651 2.3687 2.4581 2.4643 2.7930 2.7968 2.9640 2.9663 3.1913 3.1918 3.3556 3.3574 8.0854 8.3440 9.7917 9.9416 10.4449 10.5812 11.0247 11.0273 12.1757 12.2349 k = 0.0465-0.0670 0.0000 ( 4071 PWs) bands (ev): -16.3625 -16.3625 -15.0042 -15.0014 -14.3767 -14.3760 -13.7965 -13.7961 -13.7151 -13.7148 -13.3273 -13.3264 -5.2624 -5.2616 -4.5487 -4.5478 -3.4532 -3.4508 -2.7524 -2.7356 -2.6877 -2.6868 -1.2190 -1.1882 -0.2987 -0.2987 0.0563 0.0623 0.3264 0.3272 1.1959 1.2053 1.5122 1.5181 1.8970 1.9192 2.2132 2.2175 2.3549 2.3583 2.4526 2.4581 2.7948 2.7982 2.9654 2.9675 3.1921 3.1925 3.3526 3.3542 8.1063 8.3305 9.8133 9.9500 10.4512 10.5627 10.9996 11.0019 12.1838 12.2347 k = 0.0387-0.0558 0.0000 ( 4073 PWs) bands (ev): -16.3671 -16.3671 -15.0037 -15.0013 -14.3771 -14.3766 -13.7943 -13.7940 -13.7120 -13.7117 -13.3253 -13.3245 -5.2581 -5.2575 -4.5422 -4.5413 -3.4579 -3.4559 -2.7573 -2.7438 -2.6969 -2.6956 -1.2063 -1.1804 -0.2882 -0.2881 0.0649 0.0699 0.3243 0.3256 1.1852 1.1946 1.5080 1.5134 1.8990 1.9171 2.2146 2.2187 2.3458 2.3487 2.4477 2.4524 2.7967 2.7996 2.9666 2.9685 3.1928 3.1931 3.3500 3.3514 8.1273 8.3159 9.8350 9.9553 10.4586 10.5471 10.9764 10.9783 12.1913 12.2338 k = 0.0310-0.0447 0.0000 ( 4061 PWs) bands (ev): -16.3709 -16.3709 -15.0033 -15.0013 -14.3775 -14.3771 -13.7925 -13.7922 -13.7094 -13.7092 -13.3236 -13.3230 -5.2547 -5.2542 -4.5365 -4.5358 -3.4617 -3.4601 -2.7615 -2.7512 -2.7041 -2.7026 -1.1952 -1.1743 -0.2801 -0.2800 0.0730 0.0769 0.3227 0.3242 1.1762 1.1849 1.5045 1.5091 1.9013 1.9155 2.2162 2.2198 2.3380 2.3404 2.4434 2.4472 2.7985 2.8009 2.9676 2.9692 3.1934 3.1937 3.3479 3.3491 8.1483 8.3004 9.8562 9.9572 10.4668 10.5341 10.9559 10.9574 12.1982 12.2322 k = 0.0232-0.0335 0.0000 ( 4061 PWs) bands (ev): -16.3738 -16.3738 -15.0029 -15.0014 -14.3779 -14.3775 -13.7910 -13.7908 -13.7074 -13.7072 -13.3223 -13.3218 -5.2521 -5.2518 -4.5318 -4.5313 -3.4646 -3.4634 -2.7648 -2.7574 -2.7095 -2.7080 -1.1858 -1.1701 -0.2742 -0.2740 0.0801 0.0830 0.3216 0.3230 1.1693 1.1765 1.5017 1.5053 1.9037 1.9142 2.2178 2.2207 2.3318 2.3335 2.4400 2.4429 2.8001 2.8019 2.9685 2.9697 3.1940 3.1942 3.3462 3.3471 8.1692 8.2840 9.8766 9.9555 10.4754 10.5236 10.9387 10.9398 12.2044 12.2300 k = 0.0155-0.0223 0.0000 ( 4059 PWs) bands (ev): -16.3759 -16.3759 -15.0025 -15.0015 -14.3781 -14.3779 -13.7900 -13.7899 -13.7059 -13.7058 -13.3213 -13.3210 -5.2503 -5.2501 -4.5284 -4.5281 -3.4667 -3.4659 -2.7671 -2.7623 -2.7131 -2.7119 -1.1782 -1.1677 -0.2701 -0.2700 0.0857 0.0875 0.3210 0.3220 1.1647 1.1697 1.4997 1.5022 1.9061 1.9130 2.2192 2.2213 2.3272 2.3283 2.4376 2.4396 2.8015 2.8027 2.9691 2.9700 3.1944 3.1945 3.3450 3.3457 8.1898 8.2666 9.8958 9.9499 10.4839 10.5148 10.9257 10.9264 12.2101 12.2272 k = 0.0077-0.0112 0.0000 ( 4061 PWs) bands (ev): -16.3771 -16.3771 -15.0022 -15.0017 -14.3782 -14.3781 -13.7894 -13.7893 -13.7051 -13.7050 -13.3207 -13.3205 -5.2492 -5.2491 -4.5262 -4.5261 -3.4678 -3.4674 -2.7681 -2.7657 -2.7150 -2.7144 -1.1726 -1.1673 -0.2677 -0.2677 0.0893 0.0903 0.3208 0.3214 1.1624 1.1650 1.4988 1.5000 1.9082 1.9117 2.2203 2.2214 2.3244 2.3250 2.4363 2.4373 2.8024 2.8030 2.9696 2.9701 3.1947 3.1947 3.3444 3.3447 8.2099 8.2484 9.9132 9.9408 10.4920 10.5071 10.9176 10.9180 12.2152 12.2238 k = 0.0000 0.0000 0.0000 ( 4059 PWs) bands (ev): -16.3775 -16.3775 -15.0019 -15.0019 -14.3782 -14.3782 -13.7891 -13.7891 -13.7047 -13.7047 -13.3204 -13.3204 -5.2488 -5.2488 -4.5255 -4.5255 -3.4681 -3.4681 -2.7677 -2.7677 -2.7154 -2.7154 -1.1689 -1.1689 -0.2669 -0.2669 0.0909 0.0909 0.3209 0.3209 1.1625 1.1625 1.4989 1.4989 1.9101 1.9101 2.2211 2.2211 2.3237 2.3237 2.4362 2.4362 2.8029 2.8029 2.9699 2.9699 3.1948 3.1948 3.3443 3.3443 8.2295 8.2295 9.9284 9.9284 10.4997 10.4997 10.9150 10.9150 12.2198 12.2198 k = 0.0000 0.0000 0.0000 ( 4059 PWs) bands (ev): -16.3775 -16.3775 -15.0019 -15.0019 -14.3782 -14.3782 -13.7891 -13.7891 -13.7047 -13.7047 -13.3204 -13.3204 -5.2488 -5.2488 -4.5255 -4.5255 -3.4681 -3.4681 -2.7677 -2.7677 -2.7154 -2.7154 -1.1689 -1.1689 -0.2669 -0.2669 0.0909 0.0909 0.3209 0.3209 1.1625 1.1625 1.4989 1.4989 1.9101 1.9101 2.2211 2.2211 2.3237 2.3237 2.4362 2.4362 2.8029 2.8029 2.9699 2.9699 3.1948 3.1948 3.3443 3.3443 8.2295 8.2295 9.9284 9.9284 10.4997 10.4997 10.9150 10.9150 12.2198 12.2198 k = 0.0125-0.0047-0.0021 ( 4059 PWs) bands (ev): -16.3771 -16.3770 -15.0022 -15.0017 -14.3783 -14.3779 -13.7896 -13.7895 -13.7051 -13.7047 -13.3210 -13.3204 -5.2491 -5.2487 -4.5269 -4.5267 -3.4676 -3.4671 -2.7706 -2.7626 -2.7175 -2.7113 -1.1736 -1.1658 -0.2687 -0.2673 0.0806 0.0989 0.3173 0.3253 1.1586 1.1680 1.4897 1.5088 1.9047 1.9089 2.2195 2.2272 2.3241 2.3264 2.4363 2.4373 2.8023 2.8030 2.9698 2.9704 3.1945 3.1947 3.3442 3.3445 8.2120 8.2464 9.9142 9.9403 10.4900 10.5085 10.9089 10.9265 12.2132 12.2264 k = 0.0250-0.0094-0.0042 ( 4063 PWs) bands (ev): -16.3758 -16.3756 -15.0025 -15.0014 -14.3783 -14.3774 -13.7908 -13.7906 -13.7058 -13.7049 -13.3222 -13.3209 -5.2497 -5.2490 -4.5309 -4.5304 -3.4659 -3.4648 -2.7715 -2.7558 -2.7171 -2.7050 -1.1799 -1.1644 -0.2725 -0.2696 0.0686 0.1043 0.3147 0.3301 1.1564 1.1747 1.4817 1.5193 1.8934 1.9012 2.2229 2.2365 2.3274 2.3326 2.4377 2.4397 2.8010 2.8023 2.9700 2.9711 3.1941 3.1945 3.3443 3.3448 8.1939 8.2626 9.8979 9.9500 10.4801 10.5161 10.9089 10.9427 12.2068 12.2330 k = 0.0375-0.0140-0.0063 ( 4063 PWs) bands (ev): -16.3735 -16.3732 -15.0027 -15.0012 -14.3781 -14.3768 -13.7928 -13.7925 -13.7067 -13.7053 -13.3238 -13.3220 -5.2506 -5.2495 -4.5373 -4.5366 -3.4627 -3.4612 -2.7707 -2.7488 -2.7130 -2.6963 -1.1877 -1.1645 -0.2786 -0.2738 0.0557 0.1067 0.3135 0.3350 1.1556 1.1819 1.4754 1.5300 1.8775 1.8883 2.2304 2.2471 2.3330 2.3425 2.4404 2.4437 2.7990 2.8010 2.9705 2.9721 3.1933 3.1939 3.3445 3.3453 8.1753 8.2782 9.8795 9.9575 10.4705 10.5224 10.9151 10.9625 12.2005 12.2394 k = 0.0500-0.0187-0.0084 ( 4063 PWs) bands (ev): -16.3703 -16.3699 -15.0030 -15.0009 -14.3777 -14.3761 -13.7956 -13.7953 -13.7078 -13.7061 -13.3261 -13.3237 -5.2519 -5.2505 -4.5460 -4.5449 -3.4582 -3.4561 -2.7689 -2.7434 -2.7037 -2.6847 -1.1969 -1.1662 -0.2871 -0.2798 0.0425 0.1062 0.3137 0.3399 1.1559 1.1888 1.4713 1.5406 1.8580 1.8717 2.2408 2.2578 2.3406 2.3556 2.4449 2.4499 2.7966 2.7992 2.9714 2.9734 3.1923 3.1930 3.3448 3.3460 8.1564 8.2930 9.8592 9.9628 10.4619 10.5279 10.9272 10.9852 12.1945 12.2455 k = 0.0625-0.0234-0.0105 ( 4067 PWs) bands (ev): -16.3661 -16.3657 -15.0032 -15.0007 -14.3773 -14.3752 -13.7992 -13.7988 -13.7091 -13.7070 -13.3288 -13.3258 -5.2537 -5.2519 -4.5566 -4.5551 -3.4523 -3.4496 -2.7664 -2.7402 -2.6889 -2.6700 -1.2074 -1.1694 -0.2978 -0.2875 0.0296 0.1032 0.3151 0.3445 1.1567 1.1941 1.4701 1.5510 1.8363 1.8534 2.2525 2.2680 2.3495 2.3703 2.4515 2.4593 2.7937 2.7968 2.9725 2.9751 3.1908 3.1916 3.3455 3.3469 8.1371 8.3070 9.8371 9.9659 10.4546 10.5332 10.9445 11.0100 12.1886 12.2513 k = 0.0750-0.0281-0.0126 ( 4074 PWs) bands (ev): -16.3611 -16.3606 -15.0035 -15.0005 -14.3767 -14.3742 -13.8037 -13.8032 -13.7105 -13.7081 -13.3320 -13.3285 -5.2562 -5.2540 -4.5689 -4.5669 -3.4451 -3.4416 -2.7637 -2.7383 -2.6699 -2.6521 -1.2191 -1.1741 -0.3107 -0.2968 0.0176 0.0981 0.3177 0.3490 1.1574 1.1969 1.4722 1.5607 1.8135 1.8347 2.2643 2.2781 2.3590 2.3846 2.4610 2.4728 2.7905 2.7940 2.9741 2.9770 3.1890 3.1899 3.3464 3.3481 8.1177 8.3203 9.8136 9.9671 10.4489 10.5393 10.9663 11.0362 12.1829 12.2564 k = 0.0875-0.0327-0.0147 ( 4074 PWs) bands (ev): -16.3552 -16.3546 -15.0038 -15.0003 -14.3761 -14.3732 -13.8089 -13.8084 -13.7120 -13.7093 -13.3357 -13.3316 -5.2595 -5.2569 -4.5823 -4.5799 -3.4365 -3.4322 -2.7609 -2.7370 -2.6478 -2.6312 -1.2317 -1.1800 -0.3257 -0.3076 0.0067 0.0917 0.3211 0.3531 1.1572 1.1962 1.4775 1.5693 1.7906 1.8168 2.2752 2.2883 2.3684 2.3968 2.4737 2.4909 2.7872 2.7910 2.9759 2.9794 3.1867 3.1877 3.3476 3.3496 8.0982 8.3329 9.7889 9.9665 10.4450 10.5469 10.9914 11.0633 12.1773 12.2609 k = 0.1000-0.0374-0.0168 ( 4072 PWs) bands (ev): -16.3484 -16.3477 -15.0041 -15.0001 -14.3755 -14.3722 -13.8150 -13.8143 -13.7134 -13.7106 -13.3399 -13.3353 -5.2637 -5.2607 -4.5966 -4.5935 -3.4266 -3.4213 -2.7582 -2.7358 -2.6236 -2.6076 -1.2452 -1.1871 -0.3424 -0.3198 -0.0029 0.0844 0.3249 0.3568 1.1552 1.1920 1.4856 1.5765 1.7689 1.8006 2.2851 2.2987 2.3769 2.4067 2.4895 2.5129 2.7843 2.7881 2.9781 2.9820 3.1840 3.1851 3.3493 3.3515 8.0788 8.3447 9.7633 9.9643 10.4430 10.5565 11.0191 11.0909 12.1718 12.2647 k = 0.1125-0.0421-0.0189 ( 4067 PWs) bands (ev): -16.3407 -16.3400 -15.0044 -15.0000 -14.3749 -14.3713 -13.8218 -13.8209 -13.7149 -13.7120 -13.3445 -13.3393 -5.2690 -5.2656 -4.6113 -4.6076 -3.4153 -3.4090 -2.7555 -2.7345 -2.5978 -2.5819 -1.2591 -1.1951 -0.3605 -0.3331 -0.0110 0.0768 0.3289 0.3602 1.1506 1.1846 1.4950 1.5818 1.7495 1.7871 2.2940 2.3091 2.3845 2.4147 2.5080 2.5370 2.7822 2.7858 2.9806 2.9851 3.1810 3.1822 3.3513 3.3538 8.0597 8.3557 9.7372 9.9608 10.4429 10.5684 11.0487 11.1187 12.1662 12.2676 k = 0.1250-0.0468-0.0209 ( 4070 PWs) bands (ev): -16.3323 -16.3314 -15.0048 -14.9999 -14.3744 -14.3704 -13.8294 -13.8282 -13.7163 -13.7133 -13.3494 -13.3438 -5.2756 -5.2718 -4.6260 -4.6216 -3.4027 -3.3953 -2.7528 -2.7331 -2.5709 -2.5546 -1.2732 -1.2038 -0.3794 -0.3473 -0.0177 0.0693 0.3328 0.3632 1.1423 1.1750 1.5037 1.5855 1.7332 1.7768 2.3024 2.3191 2.3912 2.4215 2.5280 2.5611 2.7816 2.7852 2.9833 2.9886 3.1776 3.1790 3.3538 3.3565 8.0411 8.3660 9.7109 9.9561 10.4448 10.5828 11.0795 11.1466 12.1605 12.2697 k = 0.1375-0.0514-0.0230 ( 4069 PWs) bands (ev): -16.3230 -16.3220 -15.0052 -14.9999 -14.3740 -14.3698 -13.8375 -13.8360 -13.7177 -13.7146 -13.3548 -13.3487 -5.2836 -5.2793 -4.6403 -4.6351 -3.3889 -3.3803 -2.7501 -2.7315 -2.5434 -2.5264 -1.2872 -1.2127 -0.3989 -0.3623 -0.0232 0.0621 0.3364 0.3658 1.1296 1.1640 1.5097 1.5881 1.7207 1.7702 2.3103 2.3286 2.3972 2.4277 2.5479 2.5830 2.7830 2.7880 2.9863 2.9924 3.1740 3.1757 3.3567 3.3596 8.0230 8.3756 9.6846 9.9507 10.4487 10.5994 11.1111 11.1744 12.1546 12.2708 k = 0.1500-0.0561-0.0251 ( 4070 PWs) bands (ev): -16.3129 -16.3119 -15.0057 -15.0000 -14.3739 -14.3693 -13.8462 -13.8443 -13.7190 -13.7159 -13.3604 -13.3539 -5.2932 -5.2885 -4.6538 -4.6479 -3.3740 -3.3641 -2.7473 -2.7296 -2.5156 -2.4978 -1.3006 -1.2216 -0.4184 -0.3777 -0.0275 0.0555 0.3394 0.3680 1.1129 1.1517 1.5113 1.5899 1.7128 1.7670 2.3178 2.3374 2.4027 2.4335 2.5661 2.6003 2.7873 2.7963 2.9895 2.9966 3.1705 3.1726 3.3600 3.3630 8.0057 8.3844 9.6586 9.9446 10.4544 10.6183 11.1431 11.2019 12.1485 12.2712 k = 0.1625-0.0608-0.0272 ( 4072 PWs) bands (ev): -16.3020 -16.3010 -15.0063 -15.0002 -14.3740 -14.3692 -13.8552 -13.8530 -13.7203 -13.7172 -13.3664 -13.3595 -5.3044 -5.2993 -4.6663 -4.6597 -3.3580 -3.3467 -2.7442 -2.7274 -2.4881 -2.4695 -1.3130 -1.2301 -0.4377 -0.3935 -0.0309 0.0495 0.3418 0.3698 1.0929 1.1377 1.5085 1.5904 1.7097 1.7664 2.3250 2.3455 2.4078 2.4390 2.5806 2.6111 2.7960 2.8111 2.9929 3.0013 3.1672 3.1700 3.3637 3.3669 7.9894 8.3924 9.6333 9.9380 10.4619 10.6390 11.1751 11.2293 12.1420 12.2706 k = 0.1750-0.0655-0.0293 ( 4067 PWs) bands (ev): -16.2905 -16.2894 -15.0070 -15.0005 -14.3746 -14.3695 -13.8644 -13.8619 -13.7215 -13.7183 -13.3727 -13.3653 -5.3172 -5.3117 -4.6775 -4.6703 -3.3411 -3.3283 -2.7410 -2.7248 -2.4614 -2.4420 -1.3238 -1.2376 -0.4564 -0.4093 -0.0336 0.0441 0.3434 0.3713 1.0704 1.1216 1.5028 1.5886 1.7113 1.7674 2.3319 2.3530 2.4125 2.4441 2.5901 2.6153 2.8104 2.8320 2.9965 3.0064 3.1645 3.1683 3.3678 3.3711 7.9741 8.3997 9.6088 9.9312 10.4710 10.6612 11.2071 11.2565 12.1351 12.2693 k = 0.1875-0.0701-0.0314 ( 4071 PWs) bands (ev): -16.2783 -16.2771 -15.0077 -15.0009 -14.3755 -14.3702 -13.8738 -13.8709 -13.7227 -13.7195 -13.3791 -13.3714 -5.3317 -5.3257 -4.6873 -4.6795 -3.3234 -3.3091 -2.7374 -2.7218 -2.4358 -2.4157 -1.3327 -1.2437 -0.4743 -0.4250 -0.0356 0.0394 0.3440 0.3725 1.0463 1.1033 1.4957 1.5843 1.7162 1.7692 2.3385 2.3600 2.4167 2.4487 2.5941 2.6138 2.8305 2.8575 3.0003 3.0123 3.1625 3.1680 3.3724 3.3757 7.9601 8.4061 9.5854 9.9242 10.4815 10.6847 11.2388 11.2834 12.1277 12.2673 k = 0.2000-0.0748-0.0335 ( 4069 PWs) bands (ev): -16.2654 -16.2642 -15.0086 -15.0014 -14.3770 -14.3715 -13.8830 -13.8799 -13.7238 -13.7206 -13.3858 -13.3778 -5.3476 -5.3413 -4.6956 -4.6873 -3.3051 -3.2892 -2.7335 -2.7184 -2.4119 -2.3912 -1.3392 -1.2480 -0.4913 -0.4404 -0.0373 0.0353 0.3436 0.3734 1.0211 1.0829 1.4883 1.5779 1.7226 1.7708 2.3450 2.3666 2.4201 2.4524 2.5932 2.6083 2.8552 2.8850 3.0044 3.0191 3.1618 3.1697 3.3773 3.3807 7.9475 8.4118 9.5631 9.9170 10.4932 10.7090 11.2700 11.3103 12.1200 12.2644 k = 0.2125-0.0795-0.0356 ( 4069 PWs) bands (ev): -16.2520 -16.2507 -15.0097 -15.0022 -14.3791 -14.3734 -13.8921 -13.8886 -13.7248 -13.7216 -13.3927 -13.3844 -5.3649 -5.3583 -4.7025 -4.6938 -3.2864 -3.2690 -2.7291 -2.7144 -2.3900 -2.3687 -1.3427 -1.2499 -0.5072 -0.4554 -0.0386 0.0317 0.3421 0.3740 0.9952 1.0606 1.4813 1.5702 1.7289 1.7717 2.3513 2.3727 2.4225 2.4551 2.5884 2.6005 2.8828 2.9120 3.0090 3.0273 3.1626 3.1742 3.3827 3.3861 7.9363 8.4165 9.5422 9.9098 10.5060 10.7339 11.3007 11.3370 12.1119 12.2609 k = 0.2250-0.0842-0.0377 ( 4069 PWs) bands (ev): -16.2380 -16.2367 -15.0108 -15.0031 -14.3818 -14.3760 -13.9007 -13.8971 -13.7258 -13.7226 -13.3997 -13.3911 -5.3834 -5.3765 -4.7079 -4.6988 -3.2675 -3.2487 -2.7242 -2.7099 -2.3704 -2.3485 -1.3429 -1.2492 -0.5220 -0.4700 -0.0398 0.0286 0.3396 0.3742 0.9690 1.0369 1.4750 1.5618 1.7337 1.7715 2.3577 2.3784 2.4238 2.4564 2.5807 2.5919 2.9108 2.9362 3.0146 3.0373 3.1655 3.1825 3.3886 3.3921 7.9268 8.4203 9.5228 9.9024 10.5196 10.7590 11.3308 11.3635 12.1034 12.2567 k = 0.2375-0.0888-0.0398 ( 4072 PWs) bands (ev): -16.2235 -16.2222 -15.0122 -15.0042 -14.3853 -14.3794 -13.9089 -13.9050 -13.7268 -13.7235 -13.4067 -13.3980 -5.4029 -5.3957 -4.7120 -4.7027 -3.2487 -3.2285 -2.7187 -2.7047 -2.3533 -2.3308 -1.3394 -1.2454 -0.5357 -0.4840 -0.0410 0.0259 0.3360 0.3741 0.9428 1.0121 1.4696 1.5531 1.7358 1.7701 2.3640 2.3832 2.4238 2.4561 2.5713 2.5837 2.9361 2.9562 3.0224 3.0491 3.1712 3.1955 3.3951 3.3989 7.9191 8.4230 9.5050 9.8949 10.5339 10.7838 11.3601 11.3900 12.0946 12.2518 k = 0.2500-0.0935-0.0419 ( 4075 PWs) bands (ev): -16.2087 -16.2073 -15.0138 -15.0056 -14.3895 -14.3835 -13.9164 -13.9124 -13.7277 -13.7244 -13.4139 -13.4050 -5.4231 -5.4157 -4.7148 -4.7054 -3.2303 -3.2089 -2.7125 -2.6990 -2.3387 -2.3157 -1.3322 -1.2385 -0.5482 -0.4975 -0.0423 0.0235 0.3315 0.3735 0.9169 0.9866 1.4648 1.5442 1.7345 1.7675 2.3701 2.3865 2.4228 2.4543 2.5616 2.5762 2.9554 2.9715 3.0341 3.0617 3.1804 3.2135 3.4022 3.4066 7.9131 8.4247 9.4889 9.8871 10.5486 10.8080 11.3886 11.4163 12.0856 12.2462 k = 0.2625-0.0982-0.0440 ( 4077 PWs) bands (ev): -16.1935 -16.1920 -15.0156 -15.0072 -14.3944 -14.3884 -13.9232 -13.9191 -13.7286 -13.7253 -13.4211 -13.4121 -5.4438 -5.4362 -4.7166 -4.7071 -3.2124 -3.1900 -2.7056 -2.6925 -2.3266 -2.3029 -1.3212 -1.2285 -0.5595 -0.5104 -0.0438 0.0214 0.3262 0.3725 0.8915 0.9608 1.4607 1.5354 1.7294 1.7636 2.3758 2.3874 2.4213 2.4514 2.5526 2.5698 2.9678 2.9820 3.0497 3.0737 3.1939 3.2362 3.4102 3.4158 7.9089 8.4251 9.4747 9.8791 10.5636 10.8313 11.4162 11.4423 12.0766 12.2399 k = 0.2750-0.1029-0.0461 ( 4073 PWs) bands (ev): -16.1780 -16.1765 -15.0175 -15.0090 -14.4001 -14.3940 -13.9292 -13.9251 -13.7294 -13.7261 -13.4283 -13.4192 -5.4647 -5.4570 -4.7175 -4.7080 -3.1955 -3.1722 -2.6980 -2.6854 -2.3167 -2.2923 -1.3064 -1.2154 -0.5697 -0.5227 -0.0454 0.0194 0.3202 0.3711 0.8669 0.9351 1.4569 1.5266 1.7207 1.7582 2.3787 2.3863 2.4194 2.4491 2.5450 2.5646 2.9755 2.9884 3.0665 3.0846 3.2123 3.2619 3.4192 3.4271 7.9067 8.4243 9.4625 9.8708 10.5787 10.8532 11.4428 11.4679 12.0675 12.2329 k = 0.2875-0.1075-0.0482 ( 4075 PWs) bands (ev): -16.1623 -16.1608 -15.0198 -15.0112 -14.4064 -14.4004 -13.9344 -13.9302 -13.7302 -13.7269 -13.4355 -13.4263 -5.4856 -5.4780 -4.7176 -4.7081 -3.1797 -3.1558 -2.6897 -2.6777 -2.3086 -2.2836 -1.2882 -1.1995 -0.5789 -0.5345 -0.0473 0.0175 0.3136 0.3691 0.8431 0.9097 1.4532 1.5179 1.7086 1.7511 2.3741 2.3869 2.4170 2.4493 2.5389 2.5605 2.9802 2.9920 3.0817 3.0943 3.2350 3.2883 3.4298 3.4412 7.9064 8.4220 9.4523 9.8620 10.5938 10.8735 11.4686 11.4931 12.0585 12.2251 k = 0.3000-0.1122-0.0503 ( 4078 PWs) bands (ev): -16.1465 -16.1450 -15.0222 -15.0136 -14.4134 -14.4074 -13.9386 -13.9345 -13.7310 -13.7277 -13.4425 -13.4334 -5.5064 -5.4987 -4.7170 -4.7077 -3.1652 -3.1410 -2.6809 -2.6695 -2.3018 -2.2762 -1.2669 -1.1811 -0.5871 -0.5457 -0.0493 0.0156 0.3064 0.3666 0.8203 0.8849 1.4493 1.5093 1.6939 1.7422 2.3647 2.3847 2.4163 2.4525 2.5343 2.5573 2.9832 2.9940 3.0941 3.1029 3.2605 3.3132 3.4424 3.4589 7.9079 8.4182 9.4442 9.8526 10.6089 10.8918 11.4933 11.5176 12.0497 12.2167 k = 0.3125-0.1169-0.0524 ( 4087 PWs) bands (ev): -16.1307 -16.1293 -15.0249 -15.0163 -14.4209 -14.4150 -13.9420 -13.9380 -13.7317 -13.7284 -13.4495 -13.4405 -5.5268 -5.5192 -4.7159 -4.7069 -3.1523 -3.1280 -2.6717 -2.6609 -2.2959 -2.2698 -1.2428 -1.1607 -0.5944 -0.5565 -0.0514 0.0137 0.2989 0.3635 0.7988 0.8609 1.4449 1.5007 1.6769 1.7314 2.3533 2.3770 2.4193 2.4577 2.5310 2.5550 2.9851 2.9952 3.1039 3.1109 3.2866 3.3348 3.4577 3.4809 7.9114 8.4128 9.4384 9.8427 10.6239 10.9079 11.5170 11.5415 12.0413 12.2076 k = 0.3250-0.1216-0.0545 ( 4089 PWs) bands (ev): -16.1150 -16.1136 -15.0278 -15.0193 -14.4288 -14.4230 -13.9446 -13.9407 -13.7324 -13.7291 -13.4563 -13.4474 -5.5465 -5.5391 -4.7145 -4.7057 -3.1409 -3.1170 -2.6623 -2.6522 -2.2903 -2.2640 -1.2165 -1.1386 -0.6009 -0.5668 -0.0536 0.0117 0.2912 0.3598 0.7786 0.8379 1.4396 1.4920 1.6586 1.7192 2.3410 2.3659 2.4246 2.4637 2.5285 2.5533 2.9864 2.9958 3.1119 3.1181 3.3112 3.3527 3.4764 3.5067 7.9168 8.4057 9.4349 9.8321 10.6387 10.9215 11.5396 11.5645 12.0332 12.1977 k = 0.3375-0.1262-0.0566 ( 4090 PWs) bands (ev): -16.0996 -16.0981 -15.0309 -15.0225 -14.4369 -14.4313 -13.9464 -13.9426 -13.7331 -13.7298 -13.4629 -13.4542 -5.5655 -5.5583 -4.7127 -4.7042 -3.1312 -3.1079 -2.6530 -2.6436 -2.2845 -2.2582 -1.1885 -1.1155 -0.6066 -0.5766 -0.0556 0.0098 0.2832 0.3554 0.7598 0.8161 1.4332 1.4829 1.6397 1.7057 2.3286 2.3535 2.4306 2.4698 2.5269 2.5520 2.9872 2.9960 3.1187 3.1247 3.3328 3.3669 3.4987 3.5354 7.9241 8.3968 9.4337 9.8207 10.6533 10.9323 11.5611 11.5867 12.0256 12.1873 k = 0.3500-0.1309-0.0587 ( 4089 PWs) bands (ev): -16.0844 -16.0830 -15.0341 -15.0260 -14.4452 -14.4398 -13.9475 -13.9439 -13.7336 -13.7304 -13.4692 -13.4608 -5.5836 -5.5766 -4.7107 -4.7026 -3.1231 -3.1006 -2.6440 -2.6353 -2.2781 -2.2521 -1.1594 -1.0917 -0.6119 -0.5860 -0.0573 0.0078 0.2753 0.3503 0.7425 0.7956 1.4253 1.4730 1.6212 1.6915 2.3164 2.3409 2.4369 2.4757 2.5261 2.5511 2.9878 2.9961 3.1246 3.1304 3.3509 3.3784 3.5243 3.5655 7.9332 8.3862 9.4349 9.8084 10.6678 10.9403 11.5815 11.6079 12.0186 12.1761 k = 0.3625-0.1356-0.0607 ( 4088 PWs) bands (ev): -16.0698 -16.0684 -15.0375 -15.0297 -14.4534 -14.4482 -13.9480 -13.9446 -13.7342 -13.7310 -13.4752 -13.4671 -5.6006 -5.5940 -4.7086 -4.7010 -3.1166 -3.0952 -2.6357 -2.6275 -2.2709 -2.2455 -1.1297 -1.0678 -0.6170 -0.5949 -0.0586 0.0060 0.2673 0.3445 0.7268 0.7765 1.4160 1.4617 1.6042 1.6770 2.3049 2.3285 2.4430 2.4808 2.5261 2.5505 2.9882 2.9960 3.1299 3.1355 3.3657 3.3878 3.5522 3.5959 7.9440 8.3738 9.4385 9.7953 10.6822 10.9453 11.6008 11.6282 12.0121 12.1644 k = 0.3750-0.1403-0.0628 ( 4087 PWs) bands (ev): -16.0557 -16.0543 -15.0410 -15.0336 -14.4614 -14.4565 -13.9479 -13.9448 -13.7347 -13.7316 -13.4809 -13.4732 -5.6164 -5.6102 -4.7064 -4.6993 -3.1114 -3.0913 -2.6281 -2.6206 -2.2627 -2.2384 -1.0999 -1.0442 -0.6220 -0.6031 -0.0592 0.0043 0.2595 0.3378 0.7128 0.7589 1.4053 1.4485 1.5897 1.6627 2.2943 2.3168 2.4487 2.4848 2.5269 2.5503 2.9885 2.9957 3.1346 3.1399 3.3778 3.3957 3.5812 3.6254 7.9566 8.3596 9.4443 9.7813 10.6965 10.9475 11.6189 11.6474 12.0064 12.1521 k = 0.3875-0.1449-0.0649 ( 4085 PWs) bands (ev): -16.0423 -16.0411 -15.0445 -15.0375 -14.4691 -14.4645 -13.9475 -13.9446 -13.7351 -13.7322 -13.4861 -13.4790 -5.6310 -5.6253 -4.7042 -4.6977 -3.1074 -3.0889 -2.6214 -2.6146 -2.2537 -2.2307 -1.0706 -1.0212 -0.6275 -0.6105 -0.0590 0.0028 0.2520 0.3302 0.7006 0.7428 1.3935 1.4333 1.5784 1.6489 2.2847 2.3058 2.4539 2.4876 2.5287 2.5503 2.9887 2.9955 3.1388 3.1437 3.3878 3.4024 3.6103 3.6534 7.9707 8.3438 9.4524 9.7663 10.7108 10.9467 11.6360 11.6654 12.0014 12.1393 k = 0.4000-0.1496-0.0670 ( 4082 PWs) bands (ev): -16.0298 -16.0287 -15.0479 -15.0415 -14.4763 -14.4720 -13.9468 -13.9441 -13.7355 -13.7328 -13.4909 -13.4843 -5.6443 -5.6390 -4.7021 -4.6962 -3.1044 -3.0876 -2.6158 -2.6096 -2.2439 -2.2227 -1.0423 -0.9992 -0.6335 -0.6169 -0.0579 0.0017 0.2449 0.3217 0.6902 0.7283 1.3808 1.4163 1.5702 1.6360 2.2763 2.2957 2.4586 2.4891 2.5313 2.5505 2.9890 2.9951 3.1425 3.1470 3.3961 3.4082 3.6385 3.6793 7.9864 8.3264 9.4626 9.7504 10.7252 10.9432 11.6520 11.6820 11.9973 12.1261 k = 0.4125-0.1543-0.0691 ( 4084 PWs) bands (ev): -16.0183 -16.0173 -15.0512 -15.0454 -14.4829 -14.4790 -13.9458 -13.9435 -13.7358 -13.7333 -13.4953 -13.4893 -5.6561 -5.6514 -4.7001 -4.6948 -3.1022 -3.0872 -2.6110 -2.6055 -2.2337 -2.2146 -1.0155 -0.9786 -0.6400 -0.6227 -0.0557 0.0008 0.2384 0.3123 0.6815 0.7153 1.3679 1.3985 1.5648 1.6241 2.2691 2.2866 2.4628 2.4896 2.5344 2.5509 2.9892 2.9948 3.1457 3.1498 3.4031 3.4131 3.6651 3.7026 8.0035 8.3076 9.4747 9.7336 10.7398 10.9372 11.6669 11.6971 11.9944 12.1126 k = 0.4250-0.1590-0.0712 ( 4086 PWs) bands (ev): -16.0080 -16.0071 -15.0542 -15.0491 -14.4887 -14.4853 -13.9448 -13.9427 -13.7360 -13.7338 -13.4990 -13.4937 -5.6664 -5.6623 -4.6982 -4.6936 -3.1007 -3.0876 -2.6071 -2.6023 -2.2235 -2.2067 -0.9909 -0.9597 -0.6464 -0.6281 -0.0524 0.0000 0.2330 0.3021 0.6746 0.7039 1.3552 1.3807 1.5617 1.6134 2.2630 2.2785 2.4664 2.4893 2.5377 2.5515 2.9895 2.9944 3.1485 3.1521 3.4091 3.4173 3.6895 3.7229 8.0219 8.2876 9.4886 9.7159 10.7546 10.9289 11.6808 11.7103 11.9927 12.0988 k = 0.4375-0.1636-0.0733 ( 4087 PWs) bands (ev): -15.9990 -15.9982 -15.0569 -15.0525 -14.4938 -14.4909 -13.9437 -13.9419 -13.7362 -13.7342 -13.5022 -13.4977 -5.6751 -5.6716 -4.6965 -4.6926 -3.0995 -3.0885 -2.6040 -2.6000 -2.2137 -2.1994 -0.9687 -0.9428 -0.6523 -0.6335 -0.0481 -0.0009 0.2288 0.2913 0.6694 0.6941 1.3434 1.3639 1.5605 1.6039 2.2581 2.2714 2.4696 2.4885 2.5410 2.5520 2.9898 2.9939 3.1509 3.1539 3.4141 3.4207 3.7114 3.7401 8.0416 8.2665 9.5042 9.6974 10.7697 10.9186 11.6936 11.7213 11.9926 12.0849 k = 0.4500-0.1683-0.0754 ( 4085 PWs) bands (ev): -15.9914 -15.9908 -15.0592 -15.0556 -14.4980 -14.4956 -13.9426 -13.9412 -13.7363 -13.7347 -13.5048 -13.5011 -5.6823 -5.6794 -4.6949 -4.6918 -3.0986 -3.0897 -2.6016 -2.5983 -2.2048 -2.1931 -0.9494 -0.9284 -0.6571 -0.6391 -0.0428 -0.0023 0.2264 0.2801 0.6658 0.6857 1.3330 1.3488 1.5606 1.5954 2.2545 2.2653 2.4724 2.4874 2.5440 2.5525 2.9901 2.9935 3.1529 3.1554 3.4183 3.4234 3.7303 3.7538 8.0622 8.2445 9.5211 9.6783 10.7850 10.9067 11.7052 11.7298 11.9943 12.0711 k = 0.4625-0.1730-0.0775 ( 4082 PWs) bands (ev): -15.9854 -15.9849 -15.0609 -15.0582 -14.5012 -14.4994 -13.9417 -13.9406 -13.7363 -13.7351 -13.5067 -13.5039 -5.6878 -5.6856 -4.6936 -4.6913 -3.0978 -3.0911 -2.5997 -2.5973 -2.1970 -2.1882 -0.9333 -0.9171 -0.6604 -0.6447 -0.0368 -0.0045 0.2261 0.2689 0.6637 0.6787 1.3247 1.3361 1.5620 1.5880 2.2520 2.2602 2.4748 2.4860 2.5466 2.5527 2.9905 2.9931 3.1545 3.1564 3.4216 3.4254 3.7460 3.7639 8.0837 8.2218 9.5391 9.6586 10.8006 10.8933 11.7155 11.7356 11.9981 12.0575 k = 0.4750-0.1777-0.0796 ( 4082 PWs) bands (ev): -15.9809 -15.9806 -15.0621 -15.0603 -14.5035 -14.5022 -13.9409 -13.9402 -13.7362 -13.7354 -13.5080 -13.5061 -5.6916 -5.6902 -4.6926 -4.6910 -3.0970 -3.0925 -2.5983 -2.5967 -2.1908 -2.1848 -0.9207 -0.9095 -0.6619 -0.6502 -0.0303 -0.0078 0.2282 0.2580 0.6630 0.6730 1.3188 1.3262 1.5642 1.5816 2.2506 2.2562 2.4771 2.4844 2.5488 2.5528 2.9909 2.9926 3.1557 3.1570 3.4242 3.4267 3.7582 3.7703 8.1060 8.1988 9.5581 9.6385 10.8165 10.8789 11.7242 11.7385 12.0039 12.0445 k = 0.4875-0.1823-0.0817 ( 4080 PWs) bands (ev): -15.9782 -15.9780 -15.0626 -15.0617 -14.5047 -14.5041 -13.9404 -13.9400 -13.7361 -13.7357 -13.5085 -13.5076 -5.6938 -5.6931 -4.6918 -4.6910 -3.0961 -3.0938 -2.5973 -2.5965 -2.1864 -2.1834 -0.9117 -0.9060 -0.6614 -0.6551 -0.0238 -0.0122 0.2327 0.2480 0.6636 0.6686 1.3158 1.3195 1.5674 1.5760 2.2504 2.2532 2.4791 2.4827 2.5505 2.5524 2.9913 2.9922 3.1566 3.1572 3.4259 3.4272 3.7669 3.7730 8.1288 8.1754 9.5778 9.6182 10.8324 10.8638 11.7312 11.7386 12.0117 12.0323 k = 0.5000-0.1870-0.0838 ( 4084 PWs) bands (ev): -15.9773 -15.9773 -15.0625 -15.0625 -14.5049 -14.5049 -13.9401 -13.9401 -13.7360 -13.7360 -13.5084 -13.5084 -5.6943 -5.6943 -4.6913 -4.6913 -3.0950 -3.0950 -2.5968 -2.5968 -2.1839 -2.1839 -0.9068 -0.9068 -0.6590 -0.6590 -0.0176 -0.0176 0.2394 0.2394 0.6655 0.6655 1.3160 1.3160 1.5713 1.5713 2.2512 2.2512 2.4810 2.4810 2.5517 2.5517 2.9917 2.9917 3.1571 3.1571 3.4269 3.4269 3.7718 3.7718 8.1520 8.1520 9.5979 9.5979 10.8482 10.8482 11.7361 11.7361 12.0212 12.0212 k = 0.5000-0.1870 0.2630 ( 4080 PWs) bands (ev): -15.9323 -15.9323 -15.0408 -15.0408 -14.7069 -14.7069 -13.9157 -13.9157 -13.6892 -13.6892 -13.4306 -13.4306 -5.9201 -5.9201 -4.2838 -4.2838 -2.7971 -2.7971 -2.7360 -2.7360 -2.4222 -2.4222 -1.2530 -1.2530 -0.6124 -0.6124 0.0556 0.0556 0.2453 0.2453 0.5066 0.5066 1.1904 1.1904 1.9506 1.9506 2.2099 2.2099 2.3640 2.3640 2.6941 2.6941 3.0992 3.0992 3.2244 3.2244 3.4054 3.4054 3.6157 3.6157 8.2235 8.2235 9.6872 9.6872 11.0469 11.0469 11.6187 11.6187 11.8545 11.8545 k = 0.4884-0.1827 0.2569 ( 4079 PWs) bands (ev): -15.9331 -15.9329 -15.0424 -15.0414 -14.7054 -14.7041 -13.9161 -13.9157 -13.6894 -13.6892 -13.4307 -13.4304 -5.9195 -5.9186 -4.2850 -4.2844 -2.8023 -2.7962 -2.7394 -2.7323 -2.4220 -2.4182 -1.2553 -1.2512 -0.6172 -0.6074 0.0365 0.0623 0.2390 0.2608 0.5054 0.5108 1.1884 1.1944 1.9498 1.9520 2.2084 2.2123 2.3627 2.3644 2.6941 2.6960 3.0969 3.0998 3.2229 3.2237 3.4049 3.4057 3.6124 3.6181 8.2089 8.2369 9.6792 9.6943 11.0397 11.0521 11.6172 11.6198 11.8541 11.8570 k = 0.4767-0.1783 0.2508 ( 4081 PWs) bands (ev): -15.9355 -15.9350 -15.0459 -15.0439 -14.6995 -14.6970 -13.9167 -13.9159 -13.6897 -13.6892 -13.4309 -13.4302 -5.9168 -5.9151 -4.2879 -4.2867 -2.8113 -2.8001 -2.7417 -2.7291 -2.4178 -2.4103 -1.2583 -1.2500 -0.6217 -0.6022 0.0095 0.0552 0.2429 0.2817 0.5072 0.5182 1.1887 1.2006 1.9497 1.9540 2.2078 2.2156 2.3605 2.3638 2.6962 2.6998 3.0930 3.0989 3.2191 3.2207 3.4041 3.4057 3.6081 3.6196 8.1935 8.2492 9.6704 9.7005 11.0305 11.0554 11.6152 11.6205 11.8556 11.8613 k = 0.4651-0.1740 0.2447 ( 4078 PWs) bands (ev): -15.9393 -15.9386 -15.0511 -15.0483 -14.6898 -14.6862 -13.9177 -13.9166 -13.6902 -13.6894 -13.4310 -13.4300 -5.9122 -5.9095 -4.2925 -4.2908 -2.8233 -2.8085 -2.7430 -2.7267 -2.4096 -2.3993 -1.2620 -1.2494 -0.6258 -0.5967 -0.0218 0.0374 0.2535 0.3044 0.5122 0.5285 1.1911 1.2090 1.9502 1.9565 2.2079 2.2196 2.3574 2.3623 2.7001 2.7054 3.0877 3.0963 3.2132 3.2155 3.4031 3.4054 3.6031 3.6199 8.1772 8.2602 9.6609 9.7058 11.0194 11.0568 11.6129 11.6206 11.8589 11.8673 k = 0.4535-0.1696 0.2386 ( 4076 PWs) bands (ev): -15.9445 -15.9436 -15.0575 -15.0540 -14.6764 -14.6719 -13.9191 -13.9175 -13.6907 -13.6897 -13.4310 -13.4298 -5.9055 -5.9020 -4.2987 -4.2965 -2.8377 -2.8204 -2.7435 -2.7252 -2.3981 -2.3858 -1.2666 -1.2493 -0.6294 -0.5908 -0.0550 0.0136 0.2662 0.3268 0.5202 0.5417 1.1958 1.2196 1.9515 1.9595 2.2087 2.2243 2.3536 2.3603 2.7057 2.7123 3.0810 3.0923 3.2052 3.2080 3.4020 3.4049 3.5974 3.6192 8.1602 8.2698 9.6508 9.7104 11.0064 11.0562 11.6102 11.6201 11.8641 11.8750 k = 0.4419-0.1653 0.2324 ( 4074 PWs) bands (ev): -15.9512 -15.9500 -15.0646 -15.0607 -14.6601 -14.6548 -13.9207 -13.9187 -13.6914 -13.6902 -13.4310 -13.4295 -5.8968 -5.8924 -4.3065 -4.3038 -2.8540 -2.8349 -2.7438 -2.7246 -2.3841 -2.3703 -1.2722 -1.2497 -0.6323 -0.5842 -0.0887 -0.0131 0.2779 0.3473 0.5314 0.5572 1.2029 1.2324 1.9537 1.9632 2.2100 2.2294 2.3494 2.3580 2.7126 2.7203 3.0730 3.0869 3.1952 3.1984 3.4006 3.4040 3.5911 3.6174 8.1427 8.2780 9.6402 9.7143 10.9916 11.0537 11.6072 11.6189 11.8710 11.8840 k = 0.4302-0.1609 0.2263 ( 4068 PWs) bands (ev): -15.9591 -15.9577 -15.0721 -15.0679 -14.6412 -14.6354 -13.9226 -13.9203 -13.6923 -13.6909 -13.4309 -13.4291 -5.8861 -5.8810 -4.3158 -4.3127 -2.8717 -2.8512 -2.7441 -2.7245 -2.3682 -2.3537 -1.2787 -1.2508 -0.6341 -0.5768 -0.1219 -0.0405 0.2875 0.3649 0.5453 0.5743 1.2124 1.2473 1.9569 1.9676 2.2116 2.2347 2.3450 2.3556 2.7205 2.7291 3.0640 3.0802 3.1832 3.1867 3.3991 3.4028 3.5842 3.6146 8.1248 8.2848 9.6295 9.7177 10.9751 11.0494 11.6037 11.6171 11.8793 11.8943 k = 0.4186-0.1566 0.2202 ( 4064 PWs) bands (ev): -15.9683 -15.9667 -15.0797 -15.0752 -14.6202 -14.6141 -13.9249 -13.9222 -13.6933 -13.6917 -13.4306 -13.4285 -5.8735 -5.8676 -4.3266 -4.3231 -2.8904 -2.8690 -2.7447 -2.7250 -2.3511 -2.3364 -1.2863 -1.2525 -0.6346 -0.5683 -0.1540 -0.0677 0.2947 0.3794 0.5612 0.5925 1.2244 1.2643 1.9609 1.9727 2.2132 2.2398 2.3406 2.3535 2.7289 2.7381 3.0541 3.0725 3.1695 3.1732 3.3974 3.4013 3.5769 3.6106 8.1065 8.2902 9.6187 9.7208 10.9569 11.0433 11.5998 11.6144 11.8889 11.9055 k = 0.4070-0.1522 0.2141 ( 4061 PWs) bands (ev): -15.9787 -15.9769 -15.0870 -15.0823 -14.5977 -14.5913 -13.9274 -13.9244 -13.6944 -13.6927 -13.4301 -13.4278 -5.8590 -5.8524 -4.3386 -4.3349 -2.9098 -2.8879 -2.7455 -2.7258 -2.3336 -2.3191 -1.2949 -1.2549 -0.6336 -0.5586 -0.1843 -0.0937 0.2996 0.3909 0.5781 0.6111 1.2390 1.2833 1.9658 1.9786 2.2145 2.2443 2.3369 2.3520 2.7372 2.7469 3.0436 3.0639 3.1543 3.1582 3.3953 3.3993 3.5693 3.6057 8.0882 8.2941 9.6080 9.7236 10.9373 11.0353 11.5952 11.6109 11.8996 11.9176 k = 0.3953-0.1479 0.2080 ( 4059 PWs) bands (ev): -15.9902 -15.9882 -15.0938 -15.0890 -14.5739 -14.5673 -13.9302 -13.9269 -13.6958 -13.6939 -13.4294 -13.4268 -5.8428 -5.8355 -4.3519 -4.3480 -2.9297 -2.9075 -2.7466 -2.7269 -2.3162 -2.3021 -1.3045 -1.2580 -0.6308 -0.5473 -0.2126 -0.1182 0.3026 0.3998 0.5953 0.6294 1.2561 1.3040 1.9714 1.9852 2.2153 2.2477 2.3343 2.3515 2.7450 2.7550 3.0327 3.0547 3.1377 3.1423 3.3927 3.3969 3.5615 3.5997 8.0698 8.2967 9.5978 9.7264 10.9163 11.0256 11.5899 11.6064 11.9113 11.9302 k = 0.3837-0.1435 0.2019 ( 4066 PWs) bands (ev): -16.0027 -16.0004 -15.1000 -15.0951 -14.5492 -14.5426 -13.9332 -13.9297 -13.6972 -13.6954 -13.4284 -13.4256 -5.8248 -5.8168 -4.3663 -4.3623 -2.9500 -2.9277 -2.7480 -2.7283 -2.2994 -2.2860 -1.3149 -1.2618 -0.6259 -0.5344 -0.2384 -0.1408 0.3041 0.4064 0.6117 0.6473 1.2755 1.3260 1.9774 1.9926 2.2155 2.2495 2.3333 2.3520 2.7517 2.7618 3.0217 3.0452 3.1202 3.1259 3.3895 3.3939 3.5535 3.5929 8.0517 8.2981 9.5881 9.7293 10.8941 11.0142 11.5837 11.6009 11.9236 11.9432 k = 0.3721-0.1392 0.1957 ( 4071 PWs) bands (ev): -16.0160 -16.0136 -15.1054 -15.1005 -14.5240 -14.5174 -13.9365 -13.9328 -13.6989 -13.6969 -13.4271 -13.4242 -5.8051 -5.7966 -4.3816 -4.3775 -2.9704 -2.9483 -2.7497 -2.7299 -2.2837 -2.2711 -1.3259 -1.2662 -0.6189 -0.5199 -0.2614 -0.1612 0.3042 0.4113 0.6270 0.6644 1.2969 1.3491 1.9836 2.0007 2.2147 2.2495 2.3345 2.3540 2.7565 2.7668 3.0110 3.0356 3.1024 3.1096 3.3853 3.3904 3.5454 3.5851 8.0340 8.2984 9.5792 9.7325 10.8709 11.0011 11.5765 11.5942 11.9365 11.9566 k = 0.3605-0.1348 0.1896 ( 4070 PWs) bands (ev): -16.0301 -16.0275 -15.1100 -15.1050 -14.4984 -14.4920 -13.9399 -13.9360 -13.7007 -13.6987 -13.4255 -13.4224 -5.7839 -5.7748 -4.3977 -4.3937 -2.9911 -2.9693 -2.7516 -2.7316 -2.2696 -2.2578 -1.3372 -1.2712 -0.6097 -0.5040 -0.2813 -0.1792 0.3034 0.4147 0.6408 0.6807 1.3199 1.3727 1.9896 2.0092 2.2129 2.2475 2.3379 2.3574 2.7589 2.7693 3.0007 3.0262 3.0848 3.0942 3.3800 3.3861 3.5374 3.5767 8.0168 8.2977 9.5712 9.7359 10.8470 10.9865 11.5681 11.5863 11.9499 11.9701 k = 0.3488-0.1305 0.1835 ( 4065 PWs) bands (ev): -16.0449 -16.0422 -15.1138 -15.1088 -14.4729 -14.4667 -13.9433 -13.9393 -13.7026 -13.7006 -13.4236 -13.4203 -5.7612 -5.7516 -4.4145 -4.4105 -3.0119 -2.9905 -2.7538 -2.7335 -2.2573 -2.2464 -1.3484 -1.2765 -0.5983 -0.4871 -0.2976 -0.1945 0.3018 0.4169 0.6532 0.6963 1.3442 1.3965 1.9949 2.0178 2.2103 2.2442 2.3433 2.3624 2.7583 2.7687 2.9910 3.0171 3.0684 3.0803 3.3731 3.3810 3.5296 3.5676 8.0003 8.2963 9.5644 9.7398 10.8223 10.9702 11.5585 11.5770 11.9635 11.9837 k = 0.3372-0.1261 0.1774 ( 4061 PWs) bands (ev): -16.0602 -16.0573 -15.1166 -15.1116 -14.4476 -14.4417 -13.9467 -13.9427 -13.7046 -13.7027 -13.4213 -13.4178 -5.7371 -5.7271 -4.4318 -4.4279 -3.0328 -3.0119 -2.7562 -2.7355 -2.2473 -2.2372 -1.3592 -1.2820 -0.5849 -0.4701 -0.3093 -0.2071 0.2997 0.4180 0.6643 0.7111 1.3692 1.4200 1.9990 2.0260 2.2068 2.2402 2.3503 2.3690 2.7544 2.7647 2.9820 3.0082 3.0542 3.0685 3.3646 3.3747 3.5220 3.5580 7.9848 8.2945 9.5587 9.7441 10.7972 10.9526 11.5476 11.5662 11.9774 11.9974 k = 0.3256-0.1218 0.1713 ( 4059 PWs) bands (ev): -16.0759 -16.0730 -15.1186 -15.1135 -14.4228 -14.4174 -13.9500 -13.9460 -13.7067 -13.7048 -13.4187 -13.4150 -5.7118 -5.7014 -4.4494 -4.4457 -3.0538 -3.0334 -2.7589 -2.7376 -2.2399 -2.2306 -1.3692 -1.2873 -0.5697 -0.4543 -0.3152 -0.2167 0.2972 0.4181 0.6745 0.7255 1.3944 1.4427 2.0015 2.0330 2.2028 2.2359 2.3588 2.3770 2.7471 2.7572 2.9737 2.9989 3.0432 3.0593 3.3543 3.3670 3.5148 3.5480 7.9705 8.2923 9.5544 9.7489 10.7718 10.9336 11.5351 11.5540 11.9913 12.0112 k = 0.3140-0.1174 0.1652 ( 4057 PWs) bands (ev): -16.0920 -16.0890 -15.1197 -15.1145 -14.3989 -14.3940 -13.9529 -13.9490 -13.7089 -13.7070 -13.4157 -13.4119 -5.6854 -5.6747 -4.4672 -4.4637 -3.0749 -3.0550 -2.7617 -2.7398 -2.2352 -2.2266 -1.3779 -1.2923 -0.5532 -0.4416 -0.3138 -0.2230 0.2945 0.4174 0.6840 0.7395 1.4195 1.4643 2.0019 2.0381 2.1986 2.2320 2.3683 2.3865 2.7367 2.7466 2.9658 2.9892 3.0361 3.0529 3.3421 3.3578 3.5078 3.5378 7.9574 8.2901 9.5515 9.7542 10.7464 10.9134 11.5212 11.5402 12.0052 12.0250 k = 0.3023-0.1131 0.1590 ( 4057 PWs) bands (ev): -16.1083 -16.1052 -15.1200 -15.1147 -14.3762 -14.3719 -13.9553 -13.9516 -13.7111 -13.7092 -13.4124 -13.4085 -5.6581 -5.6472 -4.4849 -4.4818 -3.0961 -3.0767 -2.7646 -2.7422 -2.2336 -2.2256 -1.3850 -1.2967 -0.5358 -0.4333 -0.3041 -0.2259 0.2918 0.4159 0.6933 0.7535 1.4438 1.4843 1.9998 2.0403 2.1950 2.2286 2.3789 2.3971 2.7238 2.7334 2.9584 2.9792 3.0325 3.0492 3.3279 3.3466 3.5012 3.5275 7.9459 8.2880 9.5501 9.7601 10.7209 10.8922 11.5059 11.5249 12.0190 12.0387 k = 0.2907-0.1087 0.1529 ( 4060 PWs) bands (ev): -16.1247 -16.1216 -15.1195 -15.1140 -14.3551 -14.3514 -13.9569 -13.9536 -13.7132 -13.7115 -13.4088 -13.4048 -5.6301 -5.6189 -4.5025 -4.4996 -3.1174 -3.0984 -2.7678 -2.7446 -2.2352 -2.2274 -1.3903 -1.3001 -0.5180 -0.4292 -0.2866 -0.2250 0.2893 0.4138 0.7027 0.7676 1.4670 1.5024 1.9949 2.0388 2.1924 2.2260 2.3902 2.4087 2.7091 2.7185 2.9514 2.9695 3.0316 3.0478 3.3118 3.3335 3.4947 3.5172 7.9361 8.2862 9.5504 9.7664 10.6958 10.8701 11.4890 11.5079 12.0326 12.0526 k = 0.2791-0.1044 0.1468 ( 4060 PWs) bands (ev): -16.1411 -16.1380 -15.1181 -15.1126 -14.3359 -14.3327 -13.9574 -13.9545 -13.7154 -13.7136 -13.4049 -13.4008 -5.6015 -5.5902 -4.5197 -4.5171 -3.1387 -3.1200 -2.7710 -2.7470 -2.2401 -2.2322 -1.3936 -1.3024 -0.5005 -0.4274 -0.2637 -0.2200 0.2869 0.4112 0.7126 0.7820 1.4887 1.5183 1.9871 2.0331 2.1913 2.2241 2.4020 2.4208 2.6936 2.7030 2.9452 2.9605 3.0324 3.0482 3.2938 3.3182 3.4884 3.5071 7.9281 8.2849 9.5523 9.7732 10.6710 10.8472 11.4707 11.4894 12.0458 12.0665 k = 0.2674-0.1000 0.1407 ( 4067 PWs) bands (ev): -16.1575 -16.1544 -15.1160 -15.1103 -14.3190 -14.3163 -13.9566 -13.9543 -13.7174 -13.7157 -13.4007 -13.3966 -5.5725 -5.5612 -4.5362 -4.5339 -3.1600 -3.1416 -2.7744 -2.7495 -2.2484 -2.2398 -1.3946 -1.3034 -0.4840 -0.4265 -0.2377 -0.2104 0.2849 0.4080 0.7232 0.7972 1.5086 1.5316 1.9764 2.0231 2.1918 2.2231 2.4140 2.4331 2.6782 2.6878 2.9397 2.9527 3.0339 3.0499 3.2741 3.3008 3.4821 3.4972 7.9221 8.2842 9.5560 9.7805 10.6468 10.8239 11.4510 11.4694 12.0586 12.0803 k = 0.2558-0.0957 0.1346 ( 4069 PWs) bands (ev): -16.1737 -16.1706 -15.1132 -15.1074 -14.3050 -14.3023 -13.9542 -13.9525 -13.7193 -13.7177 -13.3964 -13.3922 -5.5434 -5.5321 -4.5519 -4.5499 -3.1812 -3.1631 -2.7779 -2.7520 -2.2598 -2.2503 -1.3935 -1.3031 -0.4688 -0.4252 -0.2116 -0.1949 0.2834 0.4045 0.7349 0.8134 1.5263 1.5423 1.9629 2.0091 2.1937 2.2228 2.4255 2.4449 2.6640 2.6739 2.9352 2.9460 3.0355 3.0523 3.2531 3.2813 3.4756 3.4874 7.9183 8.2842 9.5613 9.7882 10.6232 10.8003 11.4299 11.4480 12.0709 12.0942 k = 0.2442-0.0913 0.1285 ( 4074 PWs) bands (ev): -16.1897 -16.1866 -15.1098 -15.1038 -14.2941 -14.2910 -13.9502 -13.9490 -13.7211 -13.7196 -13.3918 -13.3876 -5.5145 -5.5033 -4.5666 -4.5648 -3.2023 -3.1843 -2.7814 -2.7545 -2.2742 -2.2634 -1.3902 -1.3013 -0.4554 -0.4228 -0.1891 -0.1713 0.2824 0.4008 0.7479 0.8309 1.5416 1.5502 1.9470 1.9916 2.1968 2.2233 2.4360 2.4554 2.6517 2.6623 2.9314 2.9405 3.0366 3.0548 3.2312 3.2600 3.4689 3.4779 7.9166 8.2849 9.5685 9.7964 10.6005 10.7767 11.4075 11.4252 12.0826 12.1079 k = 0.2326-0.0870 0.1223 ( 4075 PWs) bands (ev): -16.2054 -16.2023 -15.1057 -15.0996 -14.2863 -14.2825 -13.9444 -13.9434 -13.7227 -13.7212 -13.3871 -13.3829 -5.4860 -5.4749 -4.5800 -4.5784 -3.2232 -3.2054 -2.7849 -2.7569 -2.2914 -2.2790 -1.3848 -1.2981 -0.4440 -0.4186 -0.1679 -0.1433 0.2820 0.3968 0.7625 0.8499 1.5529 1.5567 1.9289 1.9713 2.2008 2.2246 2.4446 2.4637 2.6423 2.6537 2.9284 2.9362 3.0364 3.0571 3.2092 3.2373 3.4620 3.4685 7.9171 8.2863 9.5774 9.8051 10.5787 10.7534 11.3838 11.4013 12.0938 12.1215 k = 0.2209-0.0826 0.1162 ( 4069 PWs) bands (ev): -16.2206 -16.2177 -15.1011 -15.0949 -14.2817 -14.2769 -13.9370 -13.9358 -13.7242 -13.7227 -13.3824 -13.3782 -5.4581 -5.4472 -4.5918 -4.5904 -3.2438 -3.2262 -2.7884 -2.7593 -2.3111 -2.2970 -1.3775 -1.2935 -0.4345 -0.4124 -0.1457 -0.1148 0.2822 0.3928 0.7787 0.8708 1.5559 1.5660 1.9093 1.9488 2.2055 2.2267 2.4506 2.4692 2.6364 2.6486 2.9258 2.9330 3.0341 3.0583 3.1879 3.2141 3.4548 3.4592 7.9199 8.2884 9.5881 9.8142 10.5579 10.7306 11.3587 11.3764 12.1043 12.1347 k = 0.2093-0.0783 0.1101 ( 4069 PWs) bands (ev): -16.2355 -16.2326 -15.0959 -15.0897 -14.2799 -14.2743 -13.9280 -13.9264 -13.7254 -13.7240 -13.3775 -13.3734 -5.4313 -5.4207 -4.6019 -4.6006 -3.2640 -3.2466 -2.7919 -2.7616 -2.3330 -2.3170 -1.3686 -1.2876 -0.4263 -0.4046 -0.1223 -0.0873 0.2831 0.3887 0.7967 0.8938 1.5549 1.5737 1.8885 1.9249 2.2109 2.2296 2.4536 2.4712 2.6342 2.6470 2.9231 2.9305 3.0288 3.0574 3.1690 3.1914 3.4471 3.4502 7.9249 8.2911 9.6005 9.8237 10.5382 10.7087 11.3322 11.3507 12.1142 12.1475 k = 0.1977-0.0739 0.1040 ( 4072 PWs) bands (ev): -16.2498 -16.2470 -15.0903 -15.0840 -14.2806 -14.2743 -13.9177 -13.9156 -13.7264 -13.7250 -13.3726 -13.3686 -5.4057 -5.3954 -4.6101 -4.6088 -3.2838 -3.2666 -2.7953 -2.7637 -2.3567 -2.3389 -1.3581 -1.2806 -0.4184 -0.3957 -0.0983 -0.0615 0.2847 0.3847 0.8164 0.9191 1.5509 1.5790 1.8673 1.9003 2.2168 2.2333 2.4537 2.4699 2.6353 2.6487 2.9197 2.9284 3.0195 3.0529 3.1539 3.1712 3.4390 3.4414 7.9322 8.2941 9.6146 9.8337 10.5196 10.6879 11.3043 11.3244 12.1235 12.1598 k = 0.1860-0.0696 0.0979 ( 4071 PWs) bands (ev): -16.2636 -16.2608 -15.0843 -15.0780 -14.2836 -14.2767 -13.9062 -13.9038 -13.7271 -13.7257 -13.3678 -13.3638 -5.3818 -5.3719 -4.6161 -4.6147 -3.3030 -3.2861 -2.7986 -2.7656 -2.3821 -2.3623 -1.3465 -1.2726 -0.4102 -0.3863 -0.0744 -0.0377 0.2868 0.3808 0.8379 0.9468 1.5443 1.5817 1.8463 1.8758 2.2232 2.2379 2.4511 2.4658 2.6387 2.6526 2.9145 2.9258 3.0067 3.0436 3.1439 3.1557 3.4305 3.4330 7.9415 8.2974 9.6303 9.8440 10.5020 10.6686 11.2751 11.2976 12.1322 12.1714 k = 0.1744-0.0652 0.0918 ( 4071 PWs) bands (ev): -16.2767 -16.2741 -15.0780 -15.0717 -14.2883 -14.2811 -13.8940 -13.8914 -13.7276 -13.7262 -13.3630 -13.3592 -5.3597 -5.3503 -4.6197 -4.6183 -3.3215 -3.3050 -2.8018 -2.7673 -2.4086 -2.3868 -1.3338 -1.2639 -0.4014 -0.3766 -0.0513 -0.0164 0.2893 0.3770 0.8610 0.9767 1.5352 1.5821 1.8262 1.8523 2.2300 2.2431 2.4464 2.4597 2.6430 2.6577 2.9058 2.9216 2.9923 3.0294 3.1387 3.1461 3.4218 3.4248 7.9528 8.3008 9.6474 9.8547 10.4856 10.6510 11.2446 11.2706 12.1402 12.1822 k = 0.1628-0.0609 0.0856 ( 4072 PWs) bands (ev): -16.2892 -16.2867 -15.0715 -15.0652 -14.2945 -14.2870 -13.8814 -13.8788 -13.7278 -13.7264 -13.3584 -13.3546 -5.3398 -5.3308 -4.6209 -4.6194 -3.3393 -3.3233 -2.8047 -2.7687 -2.4361 -2.4123 -1.3204 -1.2545 -0.3918 -0.3666 -0.0295 0.0024 0.2921 0.3734 0.8854 1.0088 1.5240 1.5802 1.8078 1.8305 2.2370 2.2489 2.4401 2.4520 2.6468 2.6626 2.8920 2.9138 2.9795 3.0133 3.1374 3.1420 3.4132 3.4167 7.9661 8.3041 9.6659 9.8658 10.4704 10.6355 11.2130 11.2433 12.1477 12.1922 k = 0.1512-0.0565 0.0795 ( 4067 PWs) bands (ev): -16.3010 -16.2986 -15.0647 -15.0586 -14.3018 -14.2942 -13.8689 -13.8664 -13.7276 -13.7262 -13.3538 -13.3503 -5.3221 -5.3136 -4.6196 -4.6180 -3.3563 -3.3408 -2.8073 -2.7697 -2.4643 -2.4384 -1.3064 -1.2447 -0.3816 -0.3565 -0.0093 0.0189 0.2950 0.3699 0.9107 1.0426 1.5110 1.5764 1.7918 1.8114 2.2443 2.2551 2.4327 2.4434 2.6485 2.6660 2.8732 2.9002 2.9705 2.9995 3.1388 3.1419 3.4048 3.4087 7.9810 8.3069 9.6855 9.8770 10.4564 10.6221 11.1805 11.2157 12.1546 12.2012 k = 0.1395-0.0522 0.0734 ( 4062 PWs) bands (ev): -16.3120 -16.3098 -15.0579 -15.0519 -14.3098 -14.3022 -13.8567 -13.8543 -13.7271 -13.7256 -13.3495 -13.3461 -5.3067 -5.2988 -4.6159 -4.6143 -3.3724 -3.3575 -2.8096 -2.7704 -2.4928 -2.4648 -1.2921 -1.2346 -0.3707 -0.3463 0.0087 0.0331 0.2978 0.3664 0.9366 1.0775 1.4967 1.5712 1.7788 1.7957 2.2515 2.2616 2.4244 2.4341 2.6463 2.6664 2.8521 2.8806 2.9656 2.9902 3.1419 3.1443 3.3967 3.4008 7.9974 8.3091 9.7060 9.8884 10.4438 10.6110 11.1475 11.1881 12.1611 12.2091 k = 0.1279-0.0478 0.0673 ( 4065 PWs) bands (ev): -16.3223 -16.3202 -15.0510 -15.0452 -14.3182 -14.3108 -13.8452 -13.8430 -13.7262 -13.7246 -13.3453 -13.3421 -5.2937 -5.2863 -4.6101 -4.6085 -3.3875 -3.3733 -2.8115 -2.7706 -2.5215 -2.4912 -1.2778 -1.2246 -0.3594 -0.3361 0.0244 0.0454 0.3005 0.3630 0.9624 1.1124 1.4815 1.5650 1.7695 1.7840 2.2587 2.2682 2.4153 2.4244 2.6382 2.6618 2.8321 2.8582 2.9635 2.9846 3.1463 3.1484 3.3889 3.3932 8.0151 8.3105 9.7272 9.8998 10.4327 10.6020 11.1142 11.1604 12.1671 12.2160 k = 0.1163-0.0435 0.0612 ( 4066 PWs) bands (ev): -16.3318 -16.3299 -15.0443 -15.0387 -14.3268 -14.3196 -13.8345 -13.8326 -13.7248 -13.7232 -13.3414 -13.3385 -5.2829 -5.2761 -4.6024 -4.6009 -3.4015 -3.3881 -2.8128 -2.7702 -2.5498 -2.5173 -1.2635 -1.2148 -0.3478 -0.3260 0.0375 0.0563 0.3030 0.3594 0.9876 1.1460 1.4665 1.5586 1.7643 1.7769 2.2657 2.2748 2.4053 2.4143 2.6227 2.6505 2.8165 2.8373 2.9629 2.9814 3.1516 3.1536 3.3816 3.3859 8.0339 8.3108 9.7488 9.9108 10.4236 10.5951 11.0810 11.1329 12.1727 12.2216 k = 0.1047-0.0391 0.0551 ( 4065 PWs) bands (ev): -16.3404 -16.3387 -15.0377 -15.0324 -14.3354 -14.3285 -13.8249 -13.8233 -13.7231 -13.7214 -13.3378 -13.3350 -5.2741 -5.2680 -4.5932 -4.5918 -3.4143 -3.4019 -2.8135 -2.7692 -2.5777 -2.5429 -1.2496 -1.2054 -0.3361 -0.3162 0.0481 0.0659 0.3051 0.3557 1.0116 1.1765 1.4530 1.5524 1.7636 1.7749 2.2723 2.2811 2.3940 2.4037 2.6000 2.6309 2.8062 2.8212 2.9632 2.9793 3.1573 3.1593 3.3748 3.3790 8.0536 8.3099 9.7706 9.9213 10.4168 10.5897 11.0484 11.1056 12.1780 12.2261 k = 0.0930-0.0348 0.0489 ( 4063 PWs) bands (ev): -16.3482 -16.3466 -15.0313 -15.0264 -14.3436 -14.3372 -13.8165 -13.8152 -13.7209 -13.7192 -13.3344 -13.3320 -5.2672 -5.2617 -4.5831 -4.5818 -3.4259 -3.4145 -2.8134 -2.7675 -2.6048 -2.5676 -1.2363 -1.1967 -0.3245 -0.3067 0.0565 0.0743 0.3071 0.3518 1.0339 1.2016 1.4427 1.5467 1.7679 1.7784 2.2784 2.2870 2.3811 2.3925 2.5721 2.6040 2.8006 2.8109 2.9638 2.9779 3.1634 3.1652 3.3685 3.3725 8.0738 8.3076 9.7922 9.9308 10.4127 10.5854 11.0172 11.0788 12.1831 12.2294 k = 0.0814-0.0304 0.0428 ( 4065 PWs) bands (ev): -16.3551 -16.3537 -15.0254 -15.0209 -14.3513 -14.3455 -13.8094 -13.8083 -13.7184 -13.7168 -13.3314 -13.3292 -5.2618 -5.2571 -4.5725 -4.5714 -3.4363 -3.4260 -2.8124 -2.7650 -2.6309 -2.5913 -1.2237 -1.1888 -0.3133 -0.2979 0.0632 0.0814 0.3087 0.3476 1.0543 1.2187 1.4377 1.5415 1.7775 1.7873 2.2837 2.2922 2.3661 2.3802 2.5421 2.5721 2.7983 2.8052 2.9646 2.9767 3.1694 3.1711 3.3629 3.3666 8.0945 8.3037 9.8133 9.9389 10.4118 10.5814 10.9879 11.0525 12.1880 12.2315 k = 0.0698-0.0261 0.0367 ( 4067 PWs) bands (ev): -16.3611 -16.3599 -15.0199 -15.0159 -14.3583 -14.3531 -13.8035 -13.8027 -13.7158 -13.7142 -13.3287 -13.3268 -5.2578 -5.2537 -4.5619 -4.5610 -3.4452 -3.4362 -2.8104 -2.7616 -2.6557 -2.6138 -1.2120 -1.1818 -0.3028 -0.2897 0.0687 0.0869 0.3103 0.3433 1.0728 1.2264 1.4391 1.5366 1.7925 1.8016 2.2874 2.2959 2.3490 2.3663 2.5130 2.5387 2.7978 2.8027 2.9654 2.9756 3.1752 3.1768 3.3579 3.3612 8.1152 8.2981 9.8336 9.9451 10.4145 10.5768 10.9618 11.0272 12.1928 12.2325 k = 0.0581-0.0217 0.0306 ( 4067 PWs) bands (ev): -16.3662 -16.3652 -15.0150 -15.0116 -14.3645 -14.3600 -13.7988 -13.7982 -13.7130 -13.7116 -13.3263 -13.3247 -5.2548 -5.2514 -4.5520 -4.5512 -3.4528 -3.4451 -2.8072 -2.7572 -2.6789 -2.6349 -1.2013 -1.1760 -0.2933 -0.2826 0.0734 0.0909 0.3117 0.3390 1.0895 1.2252 1.4461 1.5316 1.8122 1.8209 2.2874 2.2964 2.3321 2.3509 2.4875 2.5074 2.7984 2.8020 2.9662 2.9746 3.1805 3.1820 3.3536 3.3565 8.1359 8.2909 9.8530 9.9490 10.4211 10.5707 10.9397 11.0031 12.1976 12.2324 k = 0.0465-0.0174 0.0245 ( 4065 PWs) bands (ev): -16.3703 -16.3695 -15.0107 -15.0079 -14.3696 -14.3660 -13.7951 -13.7947 -13.7105 -13.7093 -13.3244 -13.3231 -5.2526 -5.2499 -4.5431 -4.5425 -3.4589 -3.4526 -2.8026 -2.7518 -2.7003 -2.6544 -1.1919 -1.1716 -0.2849 -0.2765 0.0776 0.0934 0.3132 0.3348 1.1049 1.2175 1.4565 1.5263 1.8352 1.8440 2.2777 2.2902 2.3223 2.3361 2.4671 2.4811 2.7995 2.8021 2.9669 2.9736 3.1852 3.1865 3.3501 3.3525 8.1562 8.2819 9.8712 9.9503 10.4314 10.5622 10.9227 10.9804 12.2022 12.2313 k = 0.0349-0.0130 0.0184 ( 4067 PWs) bands (ev): -16.3736 -16.3730 -15.0072 -15.0051 -14.3737 -14.3709 -13.7924 -13.7921 -13.7082 -13.7073 -13.3228 -13.3218 -5.2511 -5.2490 -4.5357 -4.5353 -3.4635 -3.4587 -2.7965 -2.7453 -2.7197 -2.6722 -1.1839 -1.1686 -0.2779 -0.2717 0.0814 0.0944 0.3147 0.3307 1.1195 1.2057 1.4681 1.5206 1.8597 1.8686 2.2574 2.2749 2.3206 2.3275 2.4521 2.4612 2.8006 2.8025 2.9676 2.9726 3.1891 3.1902 3.3473 3.3492 8.1759 8.2712 9.8881 9.9488 10.4452 10.5506 10.9117 10.9597 12.2069 12.2294 k = 0.0233-0.0087 0.0122 ( 4066 PWs) bands (ev): -16.3758 -16.3754 -15.0046 -15.0031 -14.3765 -14.3746 -13.7906 -13.7904 -13.7064 -13.7058 -13.3216 -13.3209 -5.2500 -5.2486 -4.5302 -4.5299 -3.4666 -3.4634 -2.7887 -2.7415 -2.7331 -2.6883 -1.1773 -1.1671 -0.2725 -0.2685 0.0849 0.0942 0.3165 0.3270 1.1338 1.1918 1.4794 1.5142 1.8830 1.8910 2.2365 2.2530 2.3215 2.3248 2.4423 2.4477 2.8017 2.8029 2.9684 2.9717 3.1921 3.1928 3.3454 3.3467 8.1948 8.2589 9.9033 9.9446 10.4618 10.5359 10.9070 10.9415 12.2114 12.2268 k = 0.0116-0.0043 0.0061 ( 4060 PWs) bands (ev): -16.3772 -16.3770 -15.0028 -15.0020 -14.3780 -14.3770 -13.7895 -13.7894 -13.7053 -13.7049 -13.3208 -13.3205 -5.2493 -5.2486 -4.5267 -4.5266 -3.4681 -3.4665 -2.7791 -2.7543 -2.7263 -2.7028 -1.1723 -1.1672 -0.2688 -0.2668 0.0881 0.0930 0.3185 0.3238 1.1480 1.1772 1.4897 1.5070 1.9013 1.9063 2.2227 2.2326 2.3228 2.3242 2.4371 2.4396 2.8025 2.8031 2.9691 2.9708 3.1940 3.1944 3.3444 3.3451 8.2128 8.2449 9.9168 9.9377 10.4803 10.5186 10.9082 10.9263 12.2157 12.2235 k = 0.0000 0.0000 0.0000 ( 4059 PWs) bands (ev): -16.3775 -16.3775 -15.0019 -15.0019 -14.3782 -14.3782 -13.7891 -13.7891 -13.7047 -13.7047 -13.3204 -13.3204 -5.2488 -5.2488 -4.5255 -4.5255 -3.4681 -3.4681 -2.7677 -2.7677 -2.7154 -2.7154 -1.1689 -1.1689 -0.2669 -0.2669 0.0909 0.0909 0.3209 0.3209 1.1625 1.1625 1.4989 1.4989 1.9101 1.9101 2.2211 2.2211 2.3237 2.3237 2.4362 2.4362 2.8029 2.8029 2.9699 2.9699 3.1948 3.1948 3.3443 3.3443 8.2295 8.2295 9.9284 9.9284 10.4997 10.4997 10.9150 10.9150 12.2198 12.2198 Writing output data file BixBO2x3.save init_run : 1.74s CPU 11.83s WALL ( 1 calls) electrons : 877.32s CPU 885.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.41s CPU 1.68s WALL ( 1 calls) Called by electrons: c_bands : 877.28s CPU 884.99s WALL ( 1 calls) v_of_rho : 0.25s CPU 1.04s WALL ( 1 calls) v_h : 0.01s CPU 0.05s WALL ( 1 calls) v_xc : 0.24s CPU 0.65s WALL ( 1 calls) newd : 0.16s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 337 calls) cegterg : 822.11s CPU 827.39s WALL ( 726 calls) Called by sum_band: Called by *egterg: h_psi : 331.81s CPU 339.78s WALL ( 13088 calls) s_psi : 22.86s CPU 23.58s WALL ( 13088 calls) g_psi : 0.79s CPU 0.85s WALL ( 12025 calls) cdiaghg : 345.23s CPU 342.69s WALL ( 12362 calls) cegterg:over : 77.64s CPU 74.78s WALL ( 12025 calls) cegterg:upda : 15.91s CPU 19.37s WALL ( 12025 calls) cegterg:last : 13.46s CPU 14.17s WALL ( 2074 calls) Called by h_psi: h_psi:vloc : 264.58s CPU 271.21s WALL ( 13088 calls) h_psi:vnl : 66.96s CPU 67.72s WALL ( 13088 calls) add_vuspsi : 18.13s CPU 22.05s WALL ( 13088 calls) General routines calbec : 48.78s CPU 45.55s WALL ( 13088 calls) fft : 0.42s CPU 1.95s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 252.96s CPU 255.96s WALL ( 1540612 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.03s CPU 1.62s WALL ( 674 calls) Parallel routines fft_scatter : 163.33s CPU 162.01s WALL ( 1540635 calls) PWSCF : 15m34.52s CPU 17m 2.72s WALL This run was terminated on: 12:53:30 25Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=