Program PWSCF v.5.1.1 starts on 21Jun2016 at 2:44:18 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: ./SrSi3Ni.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 44 30 8 869 471 75 Max 45 31 9 873 483 78 Sum 2159 1449 429 41855 22963 3693 bravais-lattice index = 14 lattice parameter (alat) = 10.8179 a.u. unit-cell volume = 581.6280 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.817875 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.731395 celldm(5)= -0.731395 celldm(6)= 0.462791 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.462791 0.886467 0.000000 ) a(3) = ( -0.731395 -0.443234 0.518271 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.522062 0.964747 ) b(2) = ( 0.000000 1.128073 0.964747 ) b(3) = ( 0.000000 0.000000 1.929494 ) PseudoPot. # 1 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /home/autes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) Si 4.00 28.08550 Si( 1.00) Sr 10.00 87.62000 Sr( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0182028), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0364055), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0546083), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0728111), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0910138), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.1092166), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.1274194), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.1456222), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.1638249), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.1820277), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.2002304), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.2184332), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.2366360), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.2548388), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.2730415), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.2912443), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.3094471), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.3276498), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.3458526), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.3640554), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.3822582), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.4004609), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.4186637), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.4368664), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.4550692), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.4732720), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.4914748), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.5096775), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.5278803), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.5460831), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.5642858), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.5824886), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.6006914), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.6188942), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.6370969), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.6552997), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.6735024), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.6917052), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.7099080), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.7281108), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.7463135), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.7645163), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.7827191), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.8009218), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.8191246), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.8373274), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 0.8555301), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 0.8737329), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 0.8919357), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 0.9101384), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 0.9283412), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 0.9465440), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 0.9647468), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 0.9647468), wk = 0.0028571 k( 56) = ( -0.0091812 0.0151503 0.9647468), wk = 0.0028571 k( 57) = ( -0.0183625 0.0303006 0.9647468), wk = 0.0028571 k( 58) = ( -0.0275437 0.0454508 0.9647468), wk = 0.0028571 k( 59) = ( -0.0367249 0.0606011 0.9647468), wk = 0.0028571 k( 60) = ( -0.0459062 0.0757514 0.9647468), wk = 0.0028571 k( 61) = ( -0.0550874 0.0909017 0.9647468), wk = 0.0028571 k( 62) = ( -0.0642686 0.1060519 0.9647468), wk = 0.0028571 k( 63) = ( -0.0734499 0.1212022 0.9647468), wk = 0.0028571 k( 64) = ( -0.0826311 0.1363525 0.9647468), wk = 0.0028571 k( 65) = ( -0.0918124 0.1515028 0.9647468), wk = 0.0028571 k( 66) = ( -0.0918124 0.1515028 0.9647468), wk = 0.0028571 k( 67) = ( -0.0983960 0.1623667 0.9520436), wk = 0.0028571 k( 68) = ( -0.1049797 0.1732307 0.9393405), wk = 0.0028571 k( 69) = ( -0.1115634 0.1840946 0.9266373), wk = 0.0028571 k( 70) = ( -0.1181470 0.1949586 0.9139341), wk = 0.0028571 k( 71) = ( -0.1247307 0.2058225 0.9012310), wk = 0.0028571 k( 72) = ( -0.1313144 0.2166864 0.8885278), wk = 0.0028571 k( 73) = ( -0.1378980 0.2275504 0.8758247), wk = 0.0028571 k( 74) = ( -0.1444817 0.2384143 0.8631215), wk = 0.0028571 k( 75) = ( -0.1510654 0.2492783 0.8504184), wk = 0.0028571 k( 76) = ( -0.1576491 0.2601422 0.8377152), wk = 0.0028571 k( 77) = ( -0.1642327 0.2710062 0.8250121), wk = 0.0028571 k( 78) = ( -0.1708164 0.2818701 0.8123089), wk = 0.0028571 k( 79) = ( -0.1774001 0.2927341 0.7996058), wk = 0.0028571 k( 80) = ( -0.1839838 0.3035980 0.7869026), wk = 0.0028571 k( 81) = ( -0.1905674 0.3144620 0.7741995), wk = 0.0028571 k( 82) = ( -0.1971511 0.3253259 0.7614963), wk = 0.0028571 k( 83) = ( -0.2037348 0.3361899 0.7487932), wk = 0.0028571 k( 84) = ( -0.2103184 0.3470538 0.7360900), wk = 0.0028571 k( 85) = ( -0.2169021 0.3579177 0.7233869), wk = 0.0028571 k( 86) = ( -0.2234858 0.3687817 0.7106837), wk = 0.0028571 k( 87) = ( -0.2300695 0.3796456 0.6979806), wk = 0.0028571 k( 88) = ( -0.2366531 0.3905096 0.6852774), wk = 0.0028571 k( 89) = ( -0.2432368 0.4013735 0.6725743), wk = 0.0028571 k( 90) = ( -0.2498205 0.4122375 0.6598711), wk = 0.0028571 k( 91) = ( -0.2564041 0.4231014 0.6471680), wk = 0.0028571 k( 92) = ( -0.2629878 0.4339654 0.6344648), wk = 0.0028571 k( 93) = ( -0.2695715 0.4448293 0.6217616), wk = 0.0028571 k( 94) = ( -0.2761552 0.4556933 0.6090585), wk = 0.0028571 k( 95) = ( -0.2827388 0.4665572 0.5963554), wk = 0.0028571 k( 96) = ( -0.2893225 0.4774212 0.5836522), wk = 0.0028571 k( 97) = ( -0.2959062 0.4882851 0.5709491), wk = 0.0028571 k( 98) = ( -0.2959062 0.4882851 0.5709491), wk = 0.0028571 k( 99) = ( -0.2893305 0.4774343 0.5582613), wk = 0.0028571 k( 100) = ( -0.2827548 0.4665835 0.5455735), wk = 0.0028571 k( 101) = ( -0.2761791 0.4557328 0.5328858), wk = 0.0028571 k( 102) = ( -0.2696034 0.4448820 0.5201980), wk = 0.0028571 k( 103) = ( -0.2630277 0.4340312 0.5075103), wk = 0.0028571 k( 104) = ( -0.2564520 0.4231804 0.4948225), wk = 0.0028571 k( 105) = ( -0.2498763 0.4123297 0.4821348), wk = 0.0028571 k( 106) = ( -0.2433006 0.4014789 0.4694470), wk = 0.0028571 k( 107) = ( -0.2367249 0.3906281 0.4567592), wk = 0.0028571 k( 108) = ( -0.2301492 0.3797773 0.4440715), wk = 0.0028571 k( 109) = ( -0.2235736 0.3689265 0.4313837), wk = 0.0028571 k( 110) = ( -0.2169979 0.3580757 0.4186960), wk = 0.0028571 k( 111) = ( -0.2104222 0.3472250 0.4060082), wk = 0.0028571 k( 112) = ( -0.2038465 0.3363742 0.3933205), wk = 0.0028571 k( 113) = ( -0.1972708 0.3255234 0.3806327), wk = 0.0028571 k( 114) = ( -0.1906951 0.3146726 0.3679449), wk = 0.0028571 k( 115) = ( -0.1841194 0.3038218 0.3552572), wk = 0.0028571 k( 116) = ( -0.1775437 0.2929711 0.3425694), wk = 0.0028571 k( 117) = ( -0.1709680 0.2821203 0.3298817), wk = 0.0028571 k( 118) = ( -0.1643923 0.2712695 0.3171939), wk = 0.0028571 k( 119) = ( -0.1578166 0.2604187 0.3045062), wk = 0.0028571 k( 120) = ( -0.1512409 0.2495679 0.2918184), wk = 0.0028571 k( 121) = ( -0.1446652 0.2387172 0.2791306), wk = 0.0028571 k( 122) = ( -0.1380896 0.2278664 0.2664429), wk = 0.0028571 k( 123) = ( -0.1315139 0.2170156 0.2537551), wk = 0.0028571 k( 124) = ( -0.1249382 0.2061648 0.2410674), wk = 0.0028571 k( 125) = ( -0.1183625 0.1953140 0.2283796), wk = 0.0028571 k( 126) = ( -0.1117868 0.1844633 0.2156919), wk = 0.0028571 k( 127) = ( -0.1052111 0.1736125 0.2030041), wk = 0.0028571 k( 128) = ( -0.0986354 0.1627617 0.1903163), wk = 0.0028571 k( 129) = ( -0.0920597 0.1519109 0.1776286), wk = 0.0028571 k( 130) = ( -0.0854840 0.1410601 0.1649408), wk = 0.0028571 k( 131) = ( -0.0789083 0.1302094 0.1522531), wk = 0.0028571 k( 132) = ( -0.0723326 0.1193586 0.1395653), wk = 0.0028571 k( 133) = ( -0.0657569 0.1085078 0.1268776), wk = 0.0028571 k( 134) = ( -0.0591812 0.0976570 0.1141898), wk = 0.0028571 k( 135) = ( -0.0526055 0.0868062 0.1015020), wk = 0.0028571 k( 136) = ( -0.0460298 0.0759555 0.0888143), wk = 0.0028571 k( 137) = ( -0.0394542 0.0651047 0.0761265), wk = 0.0028571 k( 138) = ( -0.0328785 0.0542539 0.0634388), wk = 0.0028571 k( 139) = ( -0.0263028 0.0434031 0.0507510), wk = 0.0028571 k( 140) = ( -0.0197271 0.0325523 0.0380633), wk = 0.0028571 k( 141) = ( -0.0131514 0.0217016 0.0253755), wk = 0.0028571 k( 142) = ( -0.0065757 0.0108508 0.0126878), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 145) = ( 0.0151515 0.0091820 -0.0000000), wk = 0.0028571 k( 146) = ( 0.0303030 0.0183640 -0.0000000), wk = 0.0028571 k( 147) = ( 0.0454546 0.0275460 -0.0000000), wk = 0.0028571 k( 148) = ( 0.0606061 0.0367279 -0.0000000), wk = 0.0028571 k( 149) = ( 0.0757576 0.0459099 -0.0000000), wk = 0.0028571 k( 150) = ( 0.0909091 0.0550919 -0.0000000), wk = 0.0028571 k( 151) = ( 0.1060606 0.0642739 -0.0000000), wk = 0.0028571 k( 152) = ( 0.1212121 0.0734559 -0.0000000), wk = 0.0028571 k( 153) = ( 0.1363636 0.0826379 -0.0000000), wk = 0.0028571 k( 154) = ( 0.1515151 0.0918199 -0.0000000), wk = 0.0028571 k( 155) = ( 0.1666667 0.1010018 -0.0000000), wk = 0.0028571 k( 156) = ( 0.1818182 0.1101838 -0.0000000), wk = 0.0028571 k( 157) = ( 0.1969697 0.1193658 -0.0000000), wk = 0.0028571 k( 158) = ( 0.2121212 0.1285478 -0.0000000), wk = 0.0028571 k( 159) = ( 0.2272727 0.1377298 -0.0000000), wk = 0.0028571 k( 160) = ( 0.2424242 0.1469118 -0.0000000), wk = 0.0028571 k( 161) = ( 0.2575758 0.1560938 -0.0000000), wk = 0.0028571 k( 162) = ( 0.2727273 0.1652757 -0.0000000), wk = 0.0028571 k( 163) = ( 0.2878788 0.1744577 -0.0000000), wk = 0.0028571 k( 164) = ( 0.3030303 0.1836397 -0.0000000), wk = 0.0028571 k( 165) = ( 0.3181818 0.1928217 0.0000000), wk = 0.0028571 k( 166) = ( 0.3333333 0.2020037 -0.0000000), wk = 0.0028571 k( 167) = ( 0.3484849 0.2111857 -0.0000000), wk = 0.0028571 k( 168) = ( 0.3636364 0.2203677 -0.0000000), wk = 0.0028571 k( 169) = ( 0.3787879 0.2295496 -0.0000000), wk = 0.0028571 k( 170) = ( 0.3939394 0.2387316 -0.0000000), wk = 0.0028571 k( 171) = ( 0.4090909 0.2479136 -0.0000000), wk = 0.0028571 k( 172) = ( 0.4242424 0.2570956 -0.0000000), wk = 0.0028571 k( 173) = ( 0.4393939 0.2662776 -0.0000000), wk = 0.0028571 k( 174) = ( 0.4545455 0.2754596 -0.0000000), wk = 0.0028571 k( 175) = ( 0.4696970 0.2846416 -0.0000000), wk = 0.0028571 k( 176) = ( 0.4848485 0.2938235 -0.0000000), wk = 0.0028571 k( 177) = ( 0.5000000 0.3030055 -0.0000000), wk = 0.0028571 k( 178) = ( 0.5000000 0.3030055 -0.0000000), wk = 0.0028571 k( 179) = ( 0.4934163 0.3138695 0.0127031), wk = 0.0028571 k( 180) = ( 0.4868327 0.3247334 0.0254063), wk = 0.0028571 k( 181) = ( 0.4802490 0.3355974 0.0381095), wk = 0.0028571 k( 182) = ( 0.4736653 0.3464613 0.0508126), wk = 0.0028571 k( 183) = ( 0.4670816 0.3573253 0.0635158), wk = 0.0028571 k( 184) = ( 0.4604980 0.3681892 0.0762189), wk = 0.0028571 k( 185) = ( 0.4539143 0.3790532 0.0889221), wk = 0.0028571 k( 186) = ( 0.4473306 0.3899171 0.1016252), wk = 0.0028571 k( 187) = ( 0.4407470 0.4007811 0.1143284), wk = 0.0028571 k( 188) = ( 0.4341633 0.4116450 0.1270315), wk = 0.0028571 k( 189) = ( 0.4275796 0.4225089 0.1397347), wk = 0.0028571 k( 190) = ( 0.4209959 0.4333729 0.1524378), wk = 0.0028571 k( 191) = ( 0.4144123 0.4442368 0.1651410), wk = 0.0028571 k( 192) = ( 0.4078286 0.4551008 0.1778441), wk = 0.0028571 k( 193) = ( 0.4012449 0.4659647 0.1905473), wk = 0.0028571 k( 194) = ( 0.3946613 0.4768287 0.2032504), wk = 0.0028571 k( 195) = ( 0.3880776 0.4876926 0.2159536), wk = 0.0028571 k( 196) = ( 0.3814939 0.4985566 0.2286567), wk = 0.0028571 k( 197) = ( 0.3749102 0.5094205 0.2413599), wk = 0.0028571 k( 198) = ( 0.3683266 0.5202845 0.2540630), wk = 0.0028571 k( 199) = ( 0.3617429 0.5311484 0.2667662), wk = 0.0028571 k( 200) = ( 0.3551592 0.5420124 0.2794693), wk = 0.0028571 k( 201) = ( 0.3485756 0.5528763 0.2921725), wk = 0.0028571 k( 202) = ( 0.3419919 0.5637402 0.3048756), wk = 0.0028571 k( 203) = ( 0.3354082 0.5746042 0.3175788), wk = 0.0028571 k( 204) = ( 0.3288245 0.5854681 0.3302820), wk = 0.0028571 k( 205) = ( 0.3222409 0.5963321 0.3429851), wk = 0.0028571 k( 206) = ( 0.3156572 0.6071960 0.3556883), wk = 0.0028571 k( 207) = ( 0.3090735 0.6180600 0.3683914), wk = 0.0028571 k( 208) = ( 0.3024899 0.6289239 0.3810946), wk = 0.0028571 k( 209) = ( 0.2959062 0.6397879 0.3937977), wk = 0.0028571 k( 210) = ( 0.2959062 0.6397879 0.3937977), wk = 0.0028571 k( 211) = ( 0.2794669 0.6355795 0.3987186), wk = 0.0028571 k( 212) = ( 0.2630277 0.6313711 0.4036394), wk = 0.0028571 k( 213) = ( 0.2465885 0.6271626 0.4085603), wk = 0.0028571 k( 214) = ( 0.2301492 0.6229542 0.4134812), wk = 0.0028571 k( 215) = ( 0.2137100 0.6187458 0.4184021), wk = 0.0028571 k( 216) = ( 0.1972708 0.6145374 0.4233229), wk = 0.0028571 k( 217) = ( 0.1808316 0.6103290 0.4282438), wk = 0.0028571 k( 218) = ( 0.1643923 0.6061206 0.4331647), wk = 0.0028571 k( 219) = ( 0.1479531 0.6019122 0.4380855), wk = 0.0028571 k( 220) = ( 0.1315139 0.5977038 0.4430064), wk = 0.0028571 k( 221) = ( 0.1150746 0.5934954 0.4479273), wk = 0.0028571 k( 222) = ( 0.0986354 0.5892869 0.4528482), wk = 0.0028571 k( 223) = ( 0.0821962 0.5850785 0.4577690), wk = 0.0028571 k( 224) = ( 0.0657569 0.5808701 0.4626899), wk = 0.0028571 k( 225) = ( 0.0493177 0.5766617 0.4676108), wk = 0.0028571 k( 226) = ( 0.0328785 0.5724533 0.4725316), wk = 0.0028571 k( 227) = ( 0.0164392 0.5682449 0.4774525), wk = 0.0028571 k( 228) = ( 0.0000000 0.5640365 0.4823734), wk = 0.0028571 k( 229) = ( 0.0000000 0.5640365 0.4823734), wk = 0.0028571 k( 230) = ( 0.0065790 0.5531803 0.4950674), wk = 0.0028571 k( 231) = ( 0.0131579 0.5423242 0.5077614), wk = 0.0028571 k( 232) = ( 0.0197368 0.5314680 0.5204555), wk = 0.0028571 k( 233) = ( 0.0263158 0.5206119 0.5331495), wk = 0.0028571 k( 234) = ( 0.0328947 0.5097557 0.5458436), wk = 0.0028571 k( 235) = ( 0.0394737 0.4988996 0.5585376), wk = 0.0028571 k( 236) = ( 0.0460526 0.4880434 0.5712316), wk = 0.0028571 k( 237) = ( 0.0526316 0.4771873 0.5839257), wk = 0.0028571 k( 238) = ( 0.0592105 0.4663311 0.5966197), wk = 0.0028571 k( 239) = ( 0.0657895 0.4554750 0.6093137), wk = 0.0028571 k( 240) = ( 0.0723684 0.4446188 0.6220078), wk = 0.0028571 k( 241) = ( 0.0789474 0.4337627 0.6347018), wk = 0.0028571 k( 242) = ( 0.0855263 0.4229065 0.6473959), wk = 0.0028571 k( 243) = ( 0.0921053 0.4120504 0.6600899), wk = 0.0028571 k( 244) = ( 0.0986842 0.4011942 0.6727839), wk = 0.0028571 k( 245) = ( 0.1052632 0.3903381 0.6854780), wk = 0.0028571 k( 246) = ( 0.1118421 0.3794819 0.6981720), wk = 0.0028571 k( 247) = ( 0.1184210 0.3686258 0.7108660), wk = 0.0028571 k( 248) = ( 0.1250000 0.3577696 0.7235601), wk = 0.0028571 k( 249) = ( 0.1315790 0.3469135 0.7362541), wk = 0.0028571 k( 250) = ( 0.1381579 0.3360573 0.7489481), wk = 0.0028571 k( 251) = ( 0.1447368 0.3252012 0.7616422), wk = 0.0028571 k( 252) = ( 0.1513158 0.3143450 0.7743362), wk = 0.0028571 k( 253) = ( 0.1578947 0.3034889 0.7870303), wk = 0.0028571 k( 254) = ( 0.1644737 0.2926327 0.7997243), wk = 0.0028571 k( 255) = ( 0.1710526 0.2817766 0.8124183), wk = 0.0028571 k( 256) = ( 0.1776316 0.2709204 0.8251124), wk = 0.0028571 k( 257) = ( 0.1842105 0.2600643 0.8378064), wk = 0.0028571 k( 258) = ( 0.1907895 0.2492081 0.8505004), wk = 0.0028571 k( 259) = ( 0.1973684 0.2383520 0.8631945), wk = 0.0028571 k( 260) = ( 0.2039474 0.2274958 0.8758885), wk = 0.0028571 k( 261) = ( 0.2105263 0.2166397 0.8885825), wk = 0.0028571 k( 262) = ( 0.2171053 0.2057835 0.9012766), wk = 0.0028571 k( 263) = ( 0.2236842 0.1949274 0.9139706), wk = 0.0028571 k( 264) = ( 0.2302632 0.1840712 0.9266647), wk = 0.0028571 k( 265) = ( 0.2368421 0.1732151 0.9393587), wk = 0.0028571 k( 266) = ( 0.2434210 0.1623589 0.9520527), wk = 0.0028571 k( 267) = ( 0.2500000 0.1515028 0.9647468), wk = 0.0028571 k( 268) = ( 0.2500000 0.1515028 0.9647468), wk = 0.0028571 k( 269) = ( 0.2631579 0.1594766 0.9554230), wk = 0.0028571 k( 270) = ( 0.2763158 0.1674504 0.9460992), wk = 0.0028571 k( 271) = ( 0.2894737 0.1754243 0.9367755), wk = 0.0028571 k( 272) = ( 0.3026316 0.1833981 0.9274517), wk = 0.0028571 k( 273) = ( 0.3157895 0.1913719 0.9181280), wk = 0.0028571 k( 274) = ( 0.3289474 0.1993457 0.9088042), wk = 0.0028571 k( 275) = ( 0.3421053 0.2073196 0.8994805), wk = 0.0028571 k( 276) = ( 0.3552632 0.2152934 0.8901567), wk = 0.0028571 k( 277) = ( 0.3684211 0.2232672 0.8808330), wk = 0.0028571 k( 278) = ( 0.3815789 0.2312411 0.8715092), wk = 0.0028571 k( 279) = ( 0.3947368 0.2392149 0.8621855), wk = 0.0028571 k( 280) = ( 0.4078947 0.2471887 0.8528617), wk = 0.0028571 k( 281) = ( 0.4210526 0.2551625 0.8435379), wk = 0.0028571 k( 282) = ( 0.4342105 0.2631364 0.8342142), wk = 0.0028571 k( 283) = ( 0.4473684 0.2711102 0.8248904), wk = 0.0028571 k( 284) = ( 0.4605263 0.2790840 0.8155667), wk = 0.0028571 k( 285) = ( 0.4736842 0.2870579 0.8062429), wk = 0.0028571 k( 286) = ( 0.4868421 0.2950317 0.7969192), wk = 0.0028571 k( 287) = ( 0.5000000 0.3030055 0.7875954), wk = 0.0028571 k( 288) = ( 0.5000000 0.3030055 0.7875954), wk = 0.0028571 k( 289) = ( 0.5000000 0.3030055 0.7696955), wk = 0.0028571 k( 290) = ( 0.5000000 0.3030055 0.7517956), wk = 0.0028571 k( 291) = ( 0.5000000 0.3030055 0.7338957), wk = 0.0028571 k( 292) = ( 0.5000000 0.3030055 0.7159958), wk = 0.0028571 k( 293) = ( 0.5000000 0.3030055 0.6980959), wk = 0.0028571 k( 294) = ( 0.5000000 0.3030055 0.6801961), wk = 0.0028571 k( 295) = ( 0.5000000 0.3030055 0.6622962), wk = 0.0028571 k( 296) = ( 0.5000000 0.3030055 0.6443962), wk = 0.0028571 k( 297) = ( 0.5000000 0.3030055 0.6264964), wk = 0.0028571 k( 298) = ( 0.5000000 0.3030055 0.6085965), wk = 0.0028571 k( 299) = ( 0.5000000 0.3030055 0.5906966), wk = 0.0028571 k( 300) = ( 0.5000000 0.3030055 0.5727967), wk = 0.0028571 k( 301) = ( 0.5000000 0.3030055 0.5548968), wk = 0.0028571 k( 302) = ( 0.5000000 0.3030055 0.5369969), wk = 0.0028571 k( 303) = ( 0.5000000 0.3030055 0.5190970), wk = 0.0028571 k( 304) = ( 0.5000000 0.3030055 0.5011971), wk = 0.0028571 k( 305) = ( 0.5000000 0.3030055 0.4832972), wk = 0.0028571 k( 306) = ( 0.5000000 0.3030055 0.4653973), wk = 0.0028571 k( 307) = ( 0.5000000 0.3030055 0.4474974), wk = 0.0028571 k( 308) = ( 0.5000000 0.3030055 0.4295975), wk = 0.0028571 k( 309) = ( 0.5000000 0.3030055 0.4116976), wk = 0.0028571 k( 310) = ( 0.5000000 0.3030055 0.3937977), wk = 0.0028571 k( 311) = ( 0.5000000 0.3030055 0.3758978), wk = 0.0028571 k( 312) = ( 0.5000000 0.3030055 0.3579979), wk = 0.0028571 k( 313) = ( 0.5000000 0.3030055 0.3400980), wk = 0.0028571 k( 314) = ( 0.5000000 0.3030055 0.3221981), wk = 0.0028571 k( 315) = ( 0.5000000 0.3030055 0.3042982), wk = 0.0028571 k( 316) = ( 0.5000000 0.3030055 0.2863983), wk = 0.0028571 k( 317) = ( 0.5000000 0.3030055 0.2684984), wk = 0.0028571 k( 318) = ( 0.5000000 0.3030055 0.2505985), wk = 0.0028571 k( 319) = ( 0.5000000 0.3030055 0.2326987), wk = 0.0028571 k( 320) = ( 0.5000000 0.3030055 0.2147987), wk = 0.0028571 k( 321) = ( 0.5000000 0.3030055 0.1968989), wk = 0.0028571 k( 322) = ( 0.5000000 0.3030055 0.1789990), wk = 0.0028571 k( 323) = ( 0.5000000 0.3030055 0.1610991), wk = 0.0028571 k( 324) = ( 0.5000000 0.3030055 0.1431992), wk = 0.0028571 k( 325) = ( 0.5000000 0.3030055 0.1252993), wk = 0.0028571 k( 326) = ( 0.5000000 0.3030055 0.1073994), wk = 0.0028571 k( 327) = ( 0.5000000 0.3030055 0.0894995), wk = 0.0028571 k( 328) = ( 0.5000000 0.3030055 0.0715996), wk = 0.0028571 k( 329) = ( 0.5000000 0.3030055 0.0536997), wk = 0.0028571 k( 330) = ( 0.5000000 0.3030055 0.0357998), wk = 0.0028571 k( 331) = ( 0.5000000 0.3030055 0.0178999), wk = 0.0028571 k( 332) = ( 0.5000000 0.3030055 -0.0000000), wk = 0.0028571 k( 333) = ( 0.0000000 0.0000000 0.9647468), wk = 0.0028571 k( 334) = ( 0.0147059 0.0089119 0.9647468), wk = 0.0028571 k( 335) = ( 0.0294118 0.0178239 0.9647468), wk = 0.0028571 k( 336) = ( 0.0441177 0.0267358 0.9647468), wk = 0.0028571 k( 337) = ( 0.0588235 0.0356477 0.9647468), wk = 0.0028571 k( 338) = ( 0.0735294 0.0445596 0.9647468), wk = 0.0028571 k( 339) = ( 0.0882353 0.0534716 0.9647468), wk = 0.0028571 k( 340) = ( 0.1029412 0.0623835 0.9647468), wk = 0.0028571 k( 341) = ( 0.1176471 0.0712954 0.9647468), wk = 0.0028571 k( 342) = ( 0.1323529 0.0802073 0.9647468), wk = 0.0028571 k( 343) = ( 0.1470588 0.0891193 0.9647468), wk = 0.0028571 k( 344) = ( 0.1617647 0.0980312 0.9647468), wk = 0.0028571 k( 345) = ( 0.1764706 0.1069431 0.9647468), wk = 0.0028571 k( 346) = ( 0.1911765 0.1158551 0.9647468), wk = 0.0028571 k( 347) = ( 0.2058823 0.1247670 0.9647468), wk = 0.0028571 k( 348) = ( 0.2205882 0.1336789 0.9647468), wk = 0.0028571 k( 349) = ( 0.2352941 0.1425908 0.9647468), wk = 0.0028571 k( 350) = ( 0.2500000 0.1515028 0.9647468), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0377359), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.1132076), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.1886792), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.3113207), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.3867925), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 0.4622642), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 56) = ( -0.0091812 0.0091812 0.5000000), wk = 0.0028571 k( 57) = ( -0.0183625 0.0183625 0.5000000), wk = 0.0028571 k( 58) = ( -0.0275437 0.0275437 0.5000000), wk = 0.0028571 k( 59) = ( -0.0367249 0.0367249 0.5000000), wk = 0.0028571 k( 60) = ( -0.0459062 0.0459062 0.5000000), wk = 0.0028571 k( 61) = ( -0.0550874 0.0550874 0.5000000), wk = 0.0028571 k( 62) = ( -0.0642686 0.0642687 0.5000000), wk = 0.0028571 k( 63) = ( -0.0734499 0.0734499 0.5000000), wk = 0.0028571 k( 64) = ( -0.0826311 0.0826311 0.5000000), wk = 0.0028571 k( 65) = ( -0.0918124 0.0918124 0.5000000), wk = 0.0028571 k( 66) = ( -0.0918124 0.0918124 0.5000000), wk = 0.0028571 k( 67) = ( -0.0983960 0.0983960 0.4934163), wk = 0.0028571 k( 68) = ( -0.1049797 0.1049797 0.4868327), wk = 0.0028571 k( 69) = ( -0.1115634 0.1115634 0.4802490), wk = 0.0028571 k( 70) = ( -0.1181470 0.1181470 0.4736653), wk = 0.0028571 k( 71) = ( -0.1247307 0.1247307 0.4670816), wk = 0.0028571 k( 72) = ( -0.1313144 0.1313144 0.4604980), wk = 0.0028571 k( 73) = ( -0.1378980 0.1378980 0.4539143), wk = 0.0028571 k( 74) = ( -0.1444817 0.1444817 0.4473306), wk = 0.0028571 k( 75) = ( -0.1510654 0.1510654 0.4407470), wk = 0.0028571 k( 76) = ( -0.1576491 0.1576491 0.4341633), wk = 0.0028571 k( 77) = ( -0.1642327 0.1642327 0.4275796), wk = 0.0028571 k( 78) = ( -0.1708164 0.1708164 0.4209959), wk = 0.0028571 k( 79) = ( -0.1774001 0.1774001 0.4144123), wk = 0.0028571 k( 80) = ( -0.1839838 0.1839838 0.4078286), wk = 0.0028571 k( 81) = ( -0.1905674 0.1905674 0.4012449), wk = 0.0028571 k( 82) = ( -0.1971511 0.1971511 0.3946613), wk = 0.0028571 k( 83) = ( -0.2037348 0.2037348 0.3880776), wk = 0.0028571 k( 84) = ( -0.2103184 0.2103184 0.3814939), wk = 0.0028571 k( 85) = ( -0.2169021 0.2169021 0.3749102), wk = 0.0028571 k( 86) = ( -0.2234858 0.2234858 0.3683266), wk = 0.0028571 k( 87) = ( -0.2300695 0.2300695 0.3617429), wk = 0.0028571 k( 88) = ( -0.2366531 0.2366531 0.3551592), wk = 0.0028571 k( 89) = ( -0.2432368 0.2432368 0.3485756), wk = 0.0028571 k( 90) = ( -0.2498205 0.2498205 0.3419919), wk = 0.0028571 k( 91) = ( -0.2564041 0.2564041 0.3354082), wk = 0.0028571 k( 92) = ( -0.2629878 0.2629878 0.3288245), wk = 0.0028571 k( 93) = ( -0.2695715 0.2695715 0.3222409), wk = 0.0028571 k( 94) = ( -0.2761552 0.2761552 0.3156572), wk = 0.0028571 k( 95) = ( -0.2827388 0.2827388 0.3090735), wk = 0.0028571 k( 96) = ( -0.2893225 0.2893225 0.3024899), wk = 0.0028571 k( 97) = ( -0.2959062 0.2959062 0.2959062), wk = 0.0028571 k( 98) = ( -0.2959062 0.2959062 0.2959062), wk = 0.0028571 k( 99) = ( -0.2893305 0.2893305 0.2893305), wk = 0.0028571 k( 100) = ( -0.2827548 0.2827548 0.2827548), wk = 0.0028571 k( 101) = ( -0.2761791 0.2761791 0.2761791), wk = 0.0028571 k( 102) = ( -0.2696034 0.2696034 0.2696034), wk = 0.0028571 k( 103) = ( -0.2630277 0.2630277 0.2630277), wk = 0.0028571 k( 104) = ( -0.2564520 0.2564520 0.2564520), wk = 0.0028571 k( 105) = ( -0.2498763 0.2498763 0.2498763), wk = 0.0028571 k( 106) = ( -0.2433006 0.2433006 0.2433006), wk = 0.0028571 k( 107) = ( -0.2367249 0.2367249 0.2367249), wk = 0.0028571 k( 108) = ( -0.2301492 0.2301493 0.2301492), wk = 0.0028571 k( 109) = ( -0.2235736 0.2235736 0.2235736), wk = 0.0028571 k( 110) = ( -0.2169979 0.2169979 0.2169979), wk = 0.0028571 k( 111) = ( -0.2104222 0.2104222 0.2104222), wk = 0.0028571 k( 112) = ( -0.2038465 0.2038465 0.2038465), wk = 0.0028571 k( 113) = ( -0.1972708 0.1972708 0.1972708), wk = 0.0028571 k( 114) = ( -0.1906951 0.1906951 0.1906951), wk = 0.0028571 k( 115) = ( -0.1841194 0.1841194 0.1841194), wk = 0.0028571 k( 116) = ( -0.1775437 0.1775437 0.1775437), wk = 0.0028571 k( 117) = ( -0.1709680 0.1709680 0.1709680), wk = 0.0028571 k( 118) = ( -0.1643923 0.1643923 0.1643923), wk = 0.0028571 k( 119) = ( -0.1578166 0.1578166 0.1578166), wk = 0.0028571 k( 120) = ( -0.1512409 0.1512409 0.1512409), wk = 0.0028571 k( 121) = ( -0.1446652 0.1446652 0.1446652), wk = 0.0028571 k( 122) = ( -0.1380896 0.1380896 0.1380896), wk = 0.0028571 k( 123) = ( -0.1315139 0.1315139 0.1315139), wk = 0.0028571 k( 124) = ( -0.1249382 0.1249382 0.1249382), wk = 0.0028571 k( 125) = ( -0.1183625 0.1183625 0.1183625), wk = 0.0028571 k( 126) = ( -0.1117868 0.1117868 0.1117868), wk = 0.0028571 k( 127) = ( -0.1052111 0.1052111 0.1052111), wk = 0.0028571 k( 128) = ( -0.0986354 0.0986354 0.0986354), wk = 0.0028571 k( 129) = ( -0.0920597 0.0920597 0.0920597), wk = 0.0028571 k( 130) = ( -0.0854840 0.0854840 0.0854840), wk = 0.0028571 k( 131) = ( -0.0789083 0.0789083 0.0789083), wk = 0.0028571 k( 132) = ( -0.0723326 0.0723326 0.0723326), wk = 0.0028571 k( 133) = ( -0.0657569 0.0657569 0.0657569), wk = 0.0028571 k( 134) = ( -0.0591812 0.0591812 0.0591812), wk = 0.0028571 k( 135) = ( -0.0526055 0.0526055 0.0526055), wk = 0.0028571 k( 136) = ( -0.0460298 0.0460298 0.0460299), wk = 0.0028571 k( 137) = ( -0.0394542 0.0394542 0.0394542), wk = 0.0028571 k( 138) = ( -0.0328785 0.0328785 0.0328785), wk = 0.0028571 k( 139) = ( -0.0263028 0.0263028 0.0263028), wk = 0.0028571 k( 140) = ( -0.0197271 0.0197271 0.0197271), wk = 0.0028571 k( 141) = ( -0.0131514 0.0131514 0.0131514), wk = 0.0028571 k( 142) = ( -0.0065757 0.0065757 0.0065757), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 145) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0028571 k( 146) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0028571 k( 147) = ( 0.0454546 0.0454546 -0.0454546), wk = 0.0028571 k( 148) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0028571 k( 149) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0028571 k( 150) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0028571 k( 151) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0028571 k( 152) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0028571 k( 153) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0028571 k( 154) = ( 0.1515151 0.1515151 -0.1515152), wk = 0.0028571 k( 155) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0028571 k( 156) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0028571 k( 157) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0028571 k( 158) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0028571 k( 159) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0028571 k( 160) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0028571 k( 161) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0028571 k( 162) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0028571 k( 163) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0028571 k( 164) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0028571 k( 165) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0028571 k( 166) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0028571 k( 167) = ( 0.3484849 0.3484849 -0.3484849), wk = 0.0028571 k( 168) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0028571 k( 169) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0028571 k( 170) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0028571 k( 171) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0028571 k( 172) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0028571 k( 173) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0028571 k( 174) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0028571 k( 175) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0028571 k( 176) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0028571 k( 177) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 178) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 179) = ( 0.4934163 0.5065837 -0.4934163), wk = 0.0028571 k( 180) = ( 0.4868327 0.5131673 -0.4868327), wk = 0.0028571 k( 181) = ( 0.4802490 0.5197510 -0.4802490), wk = 0.0028571 k( 182) = ( 0.4736653 0.5263347 -0.4736653), wk = 0.0028571 k( 183) = ( 0.4670816 0.5329184 -0.4670816), wk = 0.0028571 k( 184) = ( 0.4604980 0.5395020 -0.4604980), wk = 0.0028571 k( 185) = ( 0.4539143 0.5460857 -0.4539143), wk = 0.0028571 k( 186) = ( 0.4473306 0.5526694 -0.4473306), wk = 0.0028571 k( 187) = ( 0.4407470 0.5592531 -0.4407470), wk = 0.0028571 k( 188) = ( 0.4341633 0.5658367 -0.4341633), wk = 0.0028571 k( 189) = ( 0.4275796 0.5724204 -0.4275796), wk = 0.0028571 k( 190) = ( 0.4209959 0.5790041 -0.4209959), wk = 0.0028571 k( 191) = ( 0.4144123 0.5855877 -0.4144123), wk = 0.0028571 k( 192) = ( 0.4078286 0.5921714 -0.4078286), wk = 0.0028571 k( 193) = ( 0.4012449 0.5987551 -0.4012449), wk = 0.0028571 k( 194) = ( 0.3946613 0.6053388 -0.3946613), wk = 0.0028571 k( 195) = ( 0.3880776 0.6119224 -0.3880776), wk = 0.0028571 k( 196) = ( 0.3814939 0.6185061 -0.3814939), wk = 0.0028571 k( 197) = ( 0.3749102 0.6250898 -0.3749102), wk = 0.0028571 k( 198) = ( 0.3683266 0.6316734 -0.3683266), wk = 0.0028571 k( 199) = ( 0.3617429 0.6382571 -0.3617429), wk = 0.0028571 k( 200) = ( 0.3551592 0.6448408 -0.3551592), wk = 0.0028571 k( 201) = ( 0.3485756 0.6514245 -0.3485755), wk = 0.0028571 k( 202) = ( 0.3419919 0.6580081 -0.3419919), wk = 0.0028571 k( 203) = ( 0.3354082 0.6645918 -0.3354082), wk = 0.0028571 k( 204) = ( 0.3288245 0.6711755 -0.3288245), wk = 0.0028571 k( 205) = ( 0.3222409 0.6777591 -0.3222409), wk = 0.0028571 k( 206) = ( 0.3156572 0.6843428 -0.3156572), wk = 0.0028571 k( 207) = ( 0.3090735 0.6909265 -0.3090735), wk = 0.0028571 k( 208) = ( 0.3024899 0.6975102 -0.3024899), wk = 0.0028571 k( 209) = ( 0.2959062 0.7040938 -0.2959062), wk = 0.0028571 k( 210) = ( 0.2959062 0.7040938 -0.2959062), wk = 0.0028571 k( 211) = ( 0.2794669 0.6927553 -0.2794669), wk = 0.0028571 k( 212) = ( 0.2630277 0.6814167 -0.2630277), wk = 0.0028571 k( 213) = ( 0.2465885 0.6700782 -0.2465885), wk = 0.0028571 k( 214) = ( 0.2301492 0.6587396 -0.2301492), wk = 0.0028571 k( 215) = ( 0.2137100 0.6474011 -0.2137100), wk = 0.0028571 k( 216) = ( 0.1972708 0.6360626 -0.1972708), wk = 0.0028571 k( 217) = ( 0.1808316 0.6247240 -0.1808316), wk = 0.0028571 k( 218) = ( 0.1643923 0.6133855 -0.1643923), wk = 0.0028571 k( 219) = ( 0.1479531 0.6020469 -0.1479531), wk = 0.0028571 k( 220) = ( 0.1315139 0.5907084 -0.1315139), wk = 0.0028571 k( 221) = ( 0.1150746 0.5793698 -0.1150746), wk = 0.0028571 k( 222) = ( 0.0986354 0.5680313 -0.0986354), wk = 0.0028571 k( 223) = ( 0.0821962 0.5566927 -0.0821962), wk = 0.0028571 k( 224) = ( 0.0657569 0.5453542 -0.0657569), wk = 0.0028571 k( 225) = ( 0.0493177 0.5340156 -0.0493177), wk = 0.0028571 k( 226) = ( 0.0328785 0.5226771 -0.0328785), wk = 0.0028571 k( 227) = ( 0.0164392 0.5113385 -0.0164392), wk = 0.0028571 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 229) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 230) = ( 0.0065790 0.4934211 0.0065789), wk = 0.0028571 k( 231) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0028571 k( 232) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0028571 k( 233) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0028571 k( 234) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0028571 k( 235) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0028571 k( 236) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0028571 k( 237) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0028571 k( 238) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0028571 k( 239) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0028571 k( 240) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0028571 k( 241) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0028571 k( 242) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0028571 k( 243) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0028571 k( 244) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0028571 k( 245) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0028571 k( 246) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0028571 k( 247) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0028571 k( 248) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028571 k( 249) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0028571 k( 250) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0028571 k( 251) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0028571 k( 252) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0028571 k( 253) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0028571 k( 254) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0028571 k( 255) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0028571 k( 256) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0028571 k( 257) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0028571 k( 258) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0028571 k( 259) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0028571 k( 260) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0028571 k( 261) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0028571 k( 262) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0028571 k( 263) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0028571 k( 264) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0028571 k( 265) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0028571 k( 266) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0028571 k( 267) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 269) = ( 0.2631579 0.2631579 0.2320099), wk = 0.0028571 k( 270) = ( 0.2763158 0.2763158 0.2140198), wk = 0.0028571 k( 271) = ( 0.2894737 0.2894737 0.1960296), wk = 0.0028571 k( 272) = ( 0.3026316 0.3026316 0.1780395), wk = 0.0028571 k( 273) = ( 0.3157895 0.3157895 0.1600494), wk = 0.0028571 k( 274) = ( 0.3289474 0.3289474 0.1420593), wk = 0.0028571 k( 275) = ( 0.3421053 0.3421053 0.1240691), wk = 0.0028571 k( 276) = ( 0.3552632 0.3552632 0.1060790), wk = 0.0028571 k( 277) = ( 0.3684211 0.3684211 0.0880889), wk = 0.0028571 k( 278) = ( 0.3815789 0.3815790 0.0700988), wk = 0.0028571 k( 279) = ( 0.3947368 0.3947368 0.0521086), wk = 0.0028571 k( 280) = ( 0.4078947 0.4078947 0.0341185), wk = 0.0028571 k( 281) = ( 0.4210526 0.4210526 0.0161284), wk = 0.0028571 k( 282) = ( 0.4342105 0.4342105 -0.0018617), wk = 0.0028571 k( 283) = ( 0.4473684 0.4473684 -0.0198519), wk = 0.0028571 k( 284) = ( 0.4605263 0.4605263 -0.0378420), wk = 0.0028571 k( 285) = ( 0.4736842 0.4736842 -0.0558321), wk = 0.0028571 k( 286) = ( 0.4868421 0.4868421 -0.0738222), wk = 0.0028571 k( 287) = ( 0.5000000 0.5000000 -0.0918124), wk = 0.0028571 k( 288) = ( 0.5000000 0.5000000 -0.0918124), wk = 0.0028571 k( 289) = ( 0.5000000 0.5000000 -0.1010893), wk = 0.0028571 k( 290) = ( 0.5000000 0.5000000 -0.1103663), wk = 0.0028571 k( 291) = ( 0.5000000 0.5000000 -0.1196433), wk = 0.0028571 k( 292) = ( 0.5000000 0.5000000 -0.1289203), wk = 0.0028571 k( 293) = ( 0.5000000 0.5000000 -0.1381973), wk = 0.0028571 k( 294) = ( 0.5000000 0.5000000 -0.1474743), wk = 0.0028571 k( 295) = ( 0.5000000 0.5000000 -0.1567513), wk = 0.0028571 k( 296) = ( 0.5000000 0.5000000 -0.1660283), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 -0.1753053), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 -0.1845823), wk = 0.0028571 k( 299) = ( 0.5000000 0.5000000 -0.1938593), wk = 0.0028571 k( 300) = ( 0.5000000 0.5000000 -0.2031363), wk = 0.0028571 k( 301) = ( 0.5000000 0.5000000 -0.2124133), wk = 0.0028571 k( 302) = ( 0.5000000 0.5000000 -0.2216902), wk = 0.0028571 k( 303) = ( 0.5000000 0.5000000 -0.2309672), wk = 0.0028571 k( 304) = ( 0.5000000 0.5000000 -0.2402442), wk = 0.0028571 k( 305) = ( 0.5000000 0.5000000 -0.2495212), wk = 0.0028571 k( 306) = ( 0.5000000 0.5000000 -0.2587982), wk = 0.0028571 k( 307) = ( 0.5000000 0.5000000 -0.2680752), wk = 0.0028571 k( 308) = ( 0.5000000 0.5000000 -0.2773522), wk = 0.0028571 k( 309) = ( 0.5000000 0.5000000 -0.2866292), wk = 0.0028571 k( 310) = ( 0.5000000 0.5000000 -0.2959062), wk = 0.0028571 k( 311) = ( 0.5000000 0.5000000 -0.3051832), wk = 0.0028571 k( 312) = ( 0.5000000 0.5000000 -0.3144602), wk = 0.0028571 k( 313) = ( 0.5000000 0.5000000 -0.3237372), wk = 0.0028571 k( 314) = ( 0.5000000 0.5000000 -0.3330141), wk = 0.0028571 k( 315) = ( 0.5000000 0.5000000 -0.3422911), wk = 0.0028571 k( 316) = ( 0.5000000 0.5000000 -0.3515681), wk = 0.0028571 k( 317) = ( 0.5000000 0.5000000 -0.3608451), wk = 0.0028571 k( 318) = ( 0.5000000 0.5000000 -0.3701221), wk = 0.0028571 k( 319) = ( 0.5000000 0.5000000 -0.3793991), wk = 0.0028571 k( 320) = ( 0.5000000 0.5000000 -0.3886761), wk = 0.0028571 k( 321) = ( 0.5000000 0.5000000 -0.3979531), wk = 0.0028571 k( 322) = ( 0.5000000 0.5000000 -0.4072301), wk = 0.0028571 k( 323) = ( 0.5000000 0.5000000 -0.4165071), wk = 0.0028571 k( 324) = ( 0.5000000 0.5000000 -0.4257841), wk = 0.0028571 k( 325) = ( 0.5000000 0.5000000 -0.4350611), wk = 0.0028571 k( 326) = ( 0.5000000 0.5000000 -0.4443381), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 -0.4536150), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 -0.4628920), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 -0.4721690), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 -0.4814460), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 -0.4907230), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 334) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0028571 k( 335) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0028571 k( 336) = ( 0.0441177 0.0441177 0.4558823), wk = 0.0028571 k( 337) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0028571 k( 338) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0028571 k( 339) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0028571 k( 340) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0028571 k( 341) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0028571 k( 342) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0028571 k( 343) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0028571 k( 344) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0028571 k( 345) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0028571 k( 346) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0028571 k( 347) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0028571 k( 348) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0028571 k( 349) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0028571 k( 350) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 Dense grid: 41855 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22963 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 132, 40) NL pseudopotentials 0.17 Mb ( 66, 170) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 873) G-vector shells 0.00 Mb ( 423) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 132, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.21 Mb ( 170, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SrSi3Ni.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.8 secs Computing kpt #: 2 total cpu time spent up to now is 45.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.0 secs Computing kpt #: 4 total cpu time spent up to now is 48.5 secs Computing kpt #: 5 total cpu time spent up to now is 49.9 secs Computing kpt #: 6 total cpu time spent up to now is 51.4 secs Computing kpt #: 7 total cpu time spent up to now is 53.0 secs Computing kpt #: 8 total cpu time spent up to now is 54.3 secs Computing kpt #: 9 total cpu time spent up to now is 55.7 secs Computing kpt #: 10 total cpu time spent up to now is 57.0 secs Computing kpt #: 11 total cpu time spent up to now is 58.2 secs Computing kpt #: 12 total cpu time spent up to now is 59.4 secs Computing kpt #: 13 total cpu time spent up to now is 60.6 secs Computing kpt #: 14 total cpu time spent up to now is 61.9 secs Computing kpt #: 15 total cpu time spent up to now is 63.1 secs Computing kpt #: 16 total cpu time spent up to now is 64.2 secs Computing kpt #: 17 total cpu time spent up to now is 65.4 secs Computing kpt #: 18 total cpu time spent up to now is 66.6 secs Computing kpt #: 19 total cpu time spent up to now is 67.8 secs Computing kpt #: 20 total cpu time spent up to now is 69.1 secs Computing kpt #: 21 total cpu time spent up to now is 70.3 secs Computing kpt #: 22 total cpu time spent up to now is 71.6 secs Computing kpt #: 23 total cpu time spent up to now is 72.9 secs Computing kpt #: 24 total cpu time spent up to now is 74.2 secs Computing kpt #: 25 total cpu time spent up to now is 75.6 secs Computing kpt #: 26 total cpu time spent up to now is 77.0 secs Computing kpt #: 27 total cpu time spent up to now is 78.4 secs Computing kpt #: 28 total cpu time spent up to now is 79.9 secs Computing kpt #: 29 total cpu time spent up to now is 81.5 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.5 secs Computing kpt #: 31 total cpu time spent up to now is 86.4 secs Computing kpt #: 32 total cpu time spent up to now is 88.4 secs Computing kpt #: 33 total cpu time spent up to now is 90.1 secs Computing kpt #: 34 total cpu time spent up to now is 92.1 secs Computing kpt #: 35 total cpu time spent up to now is 93.9 secs Computing kpt #: 36 total cpu time spent up to now is 95.7 secs Computing kpt #: 37 total cpu time spent up to now is 97.4 secs Computing kpt #: 38 total cpu time spent up to now is 99.1 secs Computing kpt #: 39 total cpu time spent up to now is 100.7 secs Computing kpt #: 40 total cpu time spent up to now is 102.2 secs Computing kpt #: 41 total cpu time spent up to now is 103.6 secs Computing kpt #: 42 total cpu time spent up to now is 105.1 secs Computing kpt #: 43 total cpu time spent up to now is 106.5 secs Computing kpt #: 44 total cpu time spent up to now is 107.9 secs Computing kpt #: 45 total cpu time spent up to now is 109.3 secs Computing kpt #: 46 total cpu time spent up to now is 110.8 secs Computing kpt #: 47 total cpu time spent up to now is 112.4 secs Computing kpt #: 48 total cpu time spent up to now is 114.1 secs Computing kpt #: 49 total cpu time spent up to now is 115.8 secs Computing kpt #: 50 total cpu time spent up to now is 117.6 secs Computing kpt #: 51 total cpu time spent up to now is 119.4 secs Computing kpt #: 52 total cpu time spent up to now is 121.0 secs Computing kpt #: 53 total cpu time spent up to now is 122.8 secs Computing kpt #: 54 total cpu time spent up to now is 124.5 secs Computing kpt #: 55 total cpu time spent up to now is 126.2 secs Computing kpt #: 56 total cpu time spent up to now is 128.0 secs Computing kpt #: 57 total cpu time spent up to now is 129.7 secs Computing kpt #: 58 total cpu time spent up to now is 131.4 secs Computing kpt #: 59 total cpu time spent up to now is 133.2 secs Computing kpt #: 60 total cpu time spent up to now is 135.2 secs Computing kpt #: 61 total cpu time spent up to now is 136.9 secs Computing kpt #: 62 total cpu time spent up to now is 138.4 secs Computing kpt #: 63 total cpu time spent up to now is 139.8 secs Computing kpt #: 64 total cpu time spent up to now is 141.2 secs Computing kpt #: 65 total cpu time spent up to now is 142.5 secs Computing kpt #: 66 total cpu time spent up to now is 143.9 secs Computing kpt #: 67 total cpu time spent up to now is 145.2 secs Computing kpt #: 68 total cpu time spent up to now is 146.5 secs Computing kpt #: 69 total cpu time spent up to now is 147.9 secs Computing kpt #: 70 total cpu time spent up to now is 149.3 secs Computing kpt #: 71 total cpu time spent up to now is 150.6 secs Computing kpt #: 72 total cpu time spent up to now is 151.9 secs Computing kpt #: 73 total cpu time spent up to now is 153.2 secs Computing kpt #: 74 total cpu time spent up to now is 154.5 secs Computing kpt #: 75 total cpu time spent up to now is 155.8 secs Computing kpt #: 76 total cpu time spent up to now is 157.1 secs Computing kpt #: 77 total cpu time spent up to now is 158.4 secs Computing kpt #: 78 total cpu time spent up to now is 159.9 secs Computing kpt #: 79 total cpu time spent up to now is 161.3 secs Computing kpt #: 80 total cpu time spent up to now is 162.9 secs Computing kpt #: 81 total cpu time spent up to now is 164.5 secs Computing kpt #: 82 total cpu time spent up to now is 166.1 secs Computing kpt #: 83 total cpu time spent up to now is 167.6 secs Computing kpt #: 84 total cpu time spent up to now is 169.2 secs Computing kpt #: 85 total cpu time spent up to now is 170.7 secs Computing kpt #: 86 total cpu time spent up to now is 172.2 secs Computing kpt #: 87 total cpu time spent up to now is 173.8 secs Computing kpt #: 88 total cpu time spent up to now is 175.3 secs Computing kpt #: 89 total cpu time spent up to now is 176.8 secs Computing kpt #: 90 total cpu time spent up to now is 178.3 secs Computing kpt #: 91 total cpu time spent up to now is 179.8 secs Computing kpt #: 92 total cpu time spent up to now is 181.3 secs Computing kpt #: 93 total cpu time spent up to now is 182.9 secs Computing kpt #: 94 total cpu time spent up to now is 184.4 secs Computing kpt #: 95 total cpu time spent up to now is 185.9 secs Computing kpt #: 96 total cpu time spent up to now is 187.3 secs Computing kpt #: 97 total cpu time spent up to now is 188.8 secs Computing kpt #: 98 total cpu time spent up to now is 190.2 secs Computing kpt #: 99 total cpu time spent up to now is 191.6 secs Computing kpt #: 100 total cpu time spent up to now is 193.0 secs Computing kpt #: 101 total cpu time spent up to now is 194.4 secs Computing kpt #: 102 total cpu time spent up to now is 195.9 secs Computing kpt #: 103 total cpu time spent up to now is 197.2 secs Computing kpt #: 104 total cpu time spent up to now is 198.6 secs Computing kpt #: 105 total cpu time spent up to now is 200.0 secs Computing kpt #: 106 total cpu time spent up to now is 201.6 secs Computing kpt #: 107 total cpu time spent up to now is 202.9 secs Computing kpt #: 108 total cpu time spent up to now is 204.6 secs Computing kpt #: 109 total cpu time spent up to now is 206.2 secs Computing kpt #: 110 total cpu time spent up to now is 208.0 secs Computing kpt #: 111 total cpu time spent up to now is 209.6 secs Computing kpt #: 112 total cpu time spent up to now is 210.9 secs Computing kpt #: 113 total cpu time spent up to now is 212.4 secs Computing kpt #: 114 total cpu time spent up to now is 213.9 secs Computing kpt #: 115 total cpu time spent up to now is 215.4 secs Computing kpt #: 116 total cpu time spent up to now is 216.9 secs Computing kpt #: 117 total cpu time spent up to now is 218.4 secs Computing kpt #: 118 total cpu time spent up to now is 219.8 secs Computing kpt #: 119 total cpu time spent up to now is 221.3 secs Computing kpt #: 120 total cpu time spent up to now is 222.8 secs Computing kpt #: 121 total cpu time spent up to now is 224.4 secs Computing kpt #: 122 total cpu time spent up to now is 226.1 secs Computing kpt #: 123 total cpu time spent up to now is 227.7 secs Computing kpt #: 124 total cpu time spent up to now is 229.4 secs Computing kpt #: 125 total cpu time spent up to now is 231.1 secs Computing kpt #: 126 total cpu time spent up to now is 232.8 secs Computing kpt #: 127 total cpu time spent up to now is 234.4 secs Computing kpt #: 128 total cpu time spent up to now is 236.1 secs Computing kpt #: 129 total cpu time spent up to now is 237.9 secs Computing kpt #: 130 total cpu time spent up to now is 239.6 secs Computing kpt #: 131 total cpu time spent up to now is 241.4 secs Computing kpt #: 132 total cpu time spent up to now is 243.4 secs Computing kpt #: 133 total cpu time spent up to now is 245.0 secs Computing kpt #: 134 total cpu time spent up to now is 246.7 secs Computing kpt #: 135 total cpu time spent up to now is 248.3 secs Computing kpt #: 136 total cpu time spent up to now is 250.0 secs Computing kpt #: 137 total cpu time spent up to now is 251.5 secs Computing kpt #: 138 total cpu time spent up to now is 253.2 secs Computing kpt #: 139 total cpu time spent up to now is 254.8 secs Computing kpt #: 140 total cpu time spent up to now is 256.5 secs Computing kpt #: 141 total cpu time spent up to now is 258.0 secs Computing kpt #: 142 total cpu time spent up to now is 259.6 secs Computing kpt #: 143 total cpu time spent up to now is 261.1 secs Computing kpt #: 144 total cpu time spent up to now is 262.7 secs Computing kpt #: 145 total cpu time spent up to now is 264.2 secs Computing kpt #: 146 total cpu time spent up to now is 265.8 secs Computing kpt #: 147 total cpu time spent up to now is 267.5 secs Computing kpt #: 148 total cpu time spent up to now is 269.1 secs Computing kpt #: 149 total cpu time spent up to now is 270.8 secs Computing kpt #: 150 total cpu time spent up to now is 272.7 secs Computing kpt #: 151 total cpu time spent up to now is 274.6 secs Computing kpt #: 152 total cpu time spent up to now is 276.6 secs Computing kpt #: 153 total cpu time spent up to now is 278.4 secs Computing kpt #: 154 total cpu time spent up to now is 280.4 secs Computing kpt #: 155 total cpu time spent up to now is 283.0 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.9 secs Computing kpt #: 157 total cpu time spent up to now is 288.2 secs Computing kpt #: 158 total cpu time spent up to now is 290.4 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.2 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.0 secs Computing kpt #: 161 total cpu time spent up to now is 298.1 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.9 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.6 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.4 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.1 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 311.8 secs Computing kpt #: 167 total cpu time spent up to now is 314.2 secs Computing kpt #: 168 total cpu time spent up to now is 316.2 secs Computing kpt #: 169 total cpu time spent up to now is 318.1 secs Computing kpt #: 170 total cpu time spent up to now is 321.2 secs Computing kpt #: 171 total cpu time spent up to now is 324.6 secs Computing kpt #: 172 total cpu time spent up to now is 327.3 secs Computing kpt #: 173 total cpu time spent up to now is 329.8 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.7 secs Computing kpt #: 175 total cpu time spent up to now is 335.0 secs Computing kpt #: 176 total cpu time spent up to now is 337.1 secs Computing kpt #: 177 total cpu time spent up to now is 339.1 secs Computing kpt #: 178 total cpu time spent up to now is 341.1 secs Computing kpt #: 179 total cpu time spent up to now is 343.2 secs Computing kpt #: 180 total cpu time spent up to now is 345.3 secs Computing kpt #: 181 total cpu time spent up to now is 347.2 secs Computing kpt #: 182 total cpu time spent up to now is 350.2 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.2 secs Computing kpt #: 184 total cpu time spent up to now is 354.9 secs Computing kpt #: 185 total cpu time spent up to now is 356.6 secs Computing kpt #: 186 total cpu time spent up to now is 358.4 secs Computing kpt #: 187 total cpu time spent up to now is 360.1 secs Computing kpt #: 188 total cpu time spent up to now is 361.7 secs Computing kpt #: 189 total cpu time spent up to now is 363.3 secs Computing kpt #: 190 total cpu time spent up to now is 365.0 secs Computing kpt #: 191 total cpu time spent up to now is 366.5 secs Computing kpt #: 192 total cpu time spent up to now is 368.0 secs Computing kpt #: 193 total cpu time spent up to now is 369.7 secs Computing kpt #: 194 total cpu time spent up to now is 371.3 secs Computing kpt #: 195 total cpu time spent up to now is 373.1 secs Computing kpt #: 196 total cpu time spent up to now is 375.1 secs Computing kpt #: 197 total cpu time spent up to now is 376.5 secs Computing kpt #: 198 total cpu time spent up to now is 378.2 secs Computing kpt #: 199 total cpu time spent up to now is 379.9 secs Computing kpt #: 200 total cpu time spent up to now is 381.5 secs Computing kpt #: 201 total cpu time spent up to now is 383.0 secs Computing kpt #: 202 total cpu time spent up to now is 384.5 secs Computing kpt #: 203 total cpu time spent up to now is 386.0 secs Computing kpt #: 204 total cpu time spent up to now is 387.5 secs Computing kpt #: 205 total cpu time spent up to now is 388.9 secs Computing kpt #: 206 total cpu time spent up to now is 390.4 secs Computing kpt #: 207 total cpu time spent up to now is 391.8 secs Computing kpt #: 208 total cpu time spent up to now is 393.2 secs Computing kpt #: 209 total cpu time spent up to now is 394.6 secs Computing kpt #: 210 total cpu time spent up to now is 396.1 secs Computing kpt #: 211 total cpu time spent up to now is 397.5 secs Computing kpt #: 212 total cpu time spent up to now is 399.0 secs Computing kpt #: 213 total cpu time spent up to now is 400.4 secs Computing kpt #: 214 total cpu time spent up to now is 401.7 secs Computing kpt #: 215 total cpu time spent up to now is 403.1 secs Computing kpt #: 216 total cpu time spent up to now is 404.3 secs Computing kpt #: 217 total cpu time spent up to now is 405.5 secs Computing kpt #: 218 total cpu time spent up to now is 406.8 secs Computing kpt #: 219 total cpu time spent up to now is 408.0 secs Computing kpt #: 220 total cpu time spent up to now is 409.2 secs Computing kpt #: 221 total cpu time spent up to now is 410.4 secs Computing kpt #: 222 total cpu time spent up to now is 411.6 secs Computing kpt #: 223 total cpu time spent up to now is 412.8 secs Computing kpt #: 224 total cpu time spent up to now is 413.9 secs Computing kpt #: 225 total cpu time spent up to now is 415.1 secs Computing kpt #: 226 total cpu time spent up to now is 416.2 secs Computing kpt #: 227 total cpu time spent up to now is 417.4 secs Computing kpt #: 228 total cpu time spent up to now is 418.6 secs Computing kpt #: 229 total cpu time spent up to now is 419.8 secs Computing kpt #: 230 total cpu time spent up to now is 420.9 secs Computing kpt #: 231 total cpu time spent up to now is 422.1 secs Computing kpt #: 232 total cpu time spent up to now is 423.5 secs Computing kpt #: 233 total cpu time spent up to now is 424.7 secs Computing kpt #: 234 total cpu time spent up to now is 426.0 secs Computing kpt #: 235 total cpu time spent up to now is 427.2 secs Computing kpt #: 236 total cpu time spent up to now is 428.4 secs Computing kpt #: 237 total cpu time spent up to now is 429.6 secs Computing kpt #: 238 total cpu time spent up to now is 430.8 secs Computing kpt #: 239 total cpu time spent up to now is 432.0 secs Computing kpt #: 240 total cpu time spent up to now is 433.3 secs Computing kpt #: 241 total cpu time spent up to now is 434.6 secs Computing kpt #: 242 total cpu time spent up to now is 435.9 secs Computing kpt #: 243 total cpu time spent up to now is 437.4 secs Computing kpt #: 244 total cpu time spent up to now is 439.0 secs Computing kpt #: 245 total cpu time spent up to now is 440.6 secs Computing kpt #: 246 total cpu time spent up to now is 442.3 secs Computing kpt #: 247 total cpu time spent up to now is 443.8 secs Computing kpt #: 248 total cpu time spent up to now is 445.2 secs Computing kpt #: 249 total cpu time spent up to now is 446.7 secs Computing kpt #: 250 total cpu time spent up to now is 448.1 secs Computing kpt #: 251 total cpu time spent up to now is 449.5 secs Computing kpt #: 252 total cpu time spent up to now is 450.9 secs Computing kpt #: 253 total cpu time spent up to now is 452.3 secs Computing kpt #: 254 total cpu time spent up to now is 453.7 secs Computing kpt #: 255 total cpu time spent up to now is 455.1 secs Computing kpt #: 256 total cpu time spent up to now is 456.5 secs Computing kpt #: 257 total cpu time spent up to now is 457.9 secs Computing kpt #: 258 total cpu time spent up to now is 459.3 secs Computing kpt #: 259 total cpu time spent up to now is 462.7 secs Computing kpt #: 260 total cpu time spent up to now is 464.4 secs Computing kpt #: 261 total cpu time spent up to now is 466.0 secs Computing kpt #: 262 total cpu time spent up to now is 471.0 secs Computing kpt #: 263 total cpu time spent up to now is 472.8 secs Computing kpt #: 264 total cpu time spent up to now is 474.4 secs Computing kpt #: 265 total cpu time spent up to now is 476.0 secs Computing kpt #: 266 total cpu time spent up to now is 477.9 secs Computing kpt #: 267 total cpu time spent up to now is 481.4 secs Computing kpt #: 268 total cpu time spent up to now is 483.5 secs Computing kpt #: 269 total cpu time spent up to now is 485.0 secs Computing kpt #: 270 total cpu time spent up to now is 486.6 secs Computing kpt #: 271 total cpu time spent up to now is 488.2 secs Computing kpt #: 272 total cpu time spent up to now is 489.8 secs Computing kpt #: 273 total cpu time spent up to now is 491.4 secs Computing kpt #: 274 total cpu time spent up to now is 492.9 secs Computing kpt #: 275 total cpu time spent up to now is 494.5 secs Computing kpt #: 276 total cpu time spent up to now is 496.1 secs Computing kpt #: 277 total cpu time spent up to now is 497.7 secs Computing kpt #: 278 total cpu time spent up to now is 499.3 secs Computing kpt #: 279 total cpu time spent up to now is 501.0 secs Computing kpt #: 280 total cpu time spent up to now is 502.7 secs Computing kpt #: 281 total cpu time spent up to now is 504.4 secs Computing kpt #: 282 total cpu time spent up to now is 506.2 secs Computing kpt #: 283 total cpu time spent up to now is 507.8 secs Computing kpt #: 284 total cpu time spent up to now is 509.2 secs Computing kpt #: 285 total cpu time spent up to now is 510.6 secs Computing kpt #: 286 total cpu time spent up to now is 511.9 secs Computing kpt #: 287 total cpu time spent up to now is 513.3 secs Computing kpt #: 288 total cpu time spent up to now is 514.7 secs Computing kpt #: 289 total cpu time spent up to now is 516.0 secs Computing kpt #: 290 total cpu time spent up to now is 517.3 secs Computing kpt #: 291 total cpu time spent up to now is 518.6 secs Computing kpt #: 292 total cpu time spent up to now is 520.0 secs Computing kpt #: 293 total cpu time spent up to now is 521.2 secs Computing kpt #: 294 total cpu time spent up to now is 522.5 secs Computing kpt #: 295 total cpu time spent up to now is 523.7 secs Computing kpt #: 296 total cpu time spent up to now is 525.0 secs Computing kpt #: 297 total cpu time spent up to now is 526.3 secs Computing kpt #: 298 total cpu time spent up to now is 527.5 secs Computing kpt #: 299 total cpu time spent up to now is 528.8 secs Computing kpt #: 300 total cpu time spent up to now is 530.0 secs Computing kpt #: 301 total cpu time spent up to now is 531.3 secs Computing kpt #: 302 total cpu time spent up to now is 532.6 secs Computing kpt #: 303 total cpu time spent up to now is 533.9 secs Computing kpt #: 304 total cpu time spent up to now is 535.2 secs Computing kpt #: 305 total cpu time spent up to now is 536.5 secs Computing kpt #: 306 total cpu time spent up to now is 537.9 secs Computing kpt #: 307 total cpu time spent up to now is 539.2 secs Computing kpt #: 308 total cpu time spent up to now is 540.5 secs Computing kpt #: 309 total cpu time spent up to now is 541.9 secs Computing kpt #: 310 total cpu time spent up to now is 543.3 secs Computing kpt #: 311 total cpu time spent up to now is 544.8 secs Computing kpt #: 312 total cpu time spent up to now is 546.1 secs Computing kpt #: 313 total cpu time spent up to now is 547.8 secs Computing kpt #: 314 total cpu time spent up to now is 549.4 secs Computing kpt #: 315 total cpu time spent up to now is 551.0 secs Computing kpt #: 316 total cpu time spent up to now is 552.6 secs Computing kpt #: 317 total cpu time spent up to now is 554.2 secs Computing kpt #: 318 total cpu time spent up to now is 555.9 secs Computing kpt #: 319 total cpu time spent up to now is 557.6 secs Computing kpt #: 320 total cpu time spent up to now is 559.2 secs Computing kpt #: 321 total cpu time spent up to now is 560.8 secs Computing kpt #: 322 total cpu time spent up to now is 562.7 secs Computing kpt #: 323 total cpu time spent up to now is 564.8 secs Computing kpt #: 324 total cpu time spent up to now is 567.0 secs Computing kpt #: 325 total cpu time spent up to now is 568.8 secs Computing kpt #: 326 total cpu time spent up to now is 570.4 secs Computing kpt #: 327 total cpu time spent up to now is 572.0 secs Computing kpt #: 328 total cpu time spent up to now is 573.9 secs Computing kpt #: 329 total cpu time spent up to now is 576.1 secs Computing kpt #: 330 total cpu time spent up to now is 578.0 secs Computing kpt #: 331 total cpu time spent up to now is 579.8 secs Computing kpt #: 332 total cpu time spent up to now is 581.8 secs Computing kpt #: 333 total cpu time spent up to now is 583.4 secs Computing kpt #: 334 total cpu time spent up to now is 585.0 secs Computing kpt #: 335 total cpu time spent up to now is 586.6 secs Computing kpt #: 336 total cpu time spent up to now is 588.1 secs Computing kpt #: 337 total cpu time spent up to now is 589.7 secs Computing kpt #: 338 total cpu time spent up to now is 591.2 secs Computing kpt #: 339 total cpu time spent up to now is 592.7 secs Computing kpt #: 340 total cpu time spent up to now is 594.1 secs Computing kpt #: 341 total cpu time spent up to now is 595.5 secs Computing kpt #: 342 total cpu time spent up to now is 596.9 secs Computing kpt #: 343 total cpu time spent up to now is 598.3 secs Computing kpt #: 344 total cpu time spent up to now is 599.8 secs Computing kpt #: 345 total cpu time spent up to now is 601.2 secs Computing kpt #: 346 total cpu time spent up to now is 602.9 secs Computing kpt #: 347 total cpu time spent up to now is 604.4 secs Computing kpt #: 348 total cpu time spent up to now is 606.0 secs Computing kpt #: 349 total cpu time spent up to now is 607.5 secs Computing kpt #: 350 total cpu time spent up to now is 609.1 secs ethr = 3.13E-11, avg # of iterations = 44.6 total cpu time spent up to now is 609.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2919 PWs) bands (ev): -24.3942 -24.3942 -7.3065 -7.3065 -6.2413 -6.2413 -6.1156 -6.1156 -1.6081 -1.6081 4.1859 4.1859 5.1311 5.1311 5.8444 5.8444 5.8591 5.8591 6.3478 6.3478 7.7548 7.7548 8.0574 8.0574 8.0821 8.0821 8.6297 8.6297 8.6961 8.6961 10.6172 10.6172 10.6999 10.6999 10.9147 10.9147 11.0480 11.0480 14.1148 14.1148 k = 0.0000 0.0000 0.0182 ( 2903 PWs) bands (ev): -24.3942 -24.3942 -7.3070 -7.3060 -6.2422 -6.2406 -6.1158 -6.1158 -1.6068 -1.6061 4.1848 4.1861 5.1136 5.1167 5.8436 5.8458 5.8657 5.8720 6.3526 6.3531 7.7554 7.7591 8.0539 8.0599 8.0740 8.0890 8.6235 8.6388 8.6952 8.6998 10.5975 10.6047 10.6805 10.6823 10.9142 10.9251 11.0725 11.0736 14.1153 14.1154 k = 0.0000 0.0000 0.0364 ( 2907 PWs) bands (ev): -24.3942 -24.3942 -7.3078 -7.3058 -6.2431 -6.2400 -6.1165 -6.1165 -1.6023 -1.6009 4.1829 4.1855 5.0681 5.0737 5.8321 5.8351 5.9015 5.9122 6.3667 6.3679 7.7609 7.7683 8.0491 8.0611 8.0648 8.0945 8.6201 8.6501 8.6968 8.7058 10.5520 10.5614 10.6332 10.6385 10.9242 10.9434 11.1349 11.1365 14.1157 14.1158 k = 0.0000 0.0000 0.0546 ( 2895 PWs) bands (ev): -24.3941 -24.3941 -7.3087 -7.3057 -6.2442 -6.2396 -6.1177 -6.1176 -1.5946 -1.5924 4.1801 4.1838 5.0024 5.0094 5.8127 5.8163 5.9568 5.9707 6.3887 6.3907 7.7713 7.7824 8.0431 8.0538 8.0623 8.0987 8.6198 8.6635 8.7012 8.7144 10.4894 10.4977 10.5707 10.5784 10.9433 10.9668 11.2176 11.2193 14.1124 14.1127 k = 0.0000 0.0000 0.0728 ( 2891 PWs) bands (ev): -24.3940 -24.3940 -7.3098 -7.3058 -6.2454 -6.2392 -6.1193 -6.1192 -1.5836 -1.5808 4.1763 4.1812 4.9235 4.9311 5.7883 5.7924 6.0229 6.0394 6.4166 6.4195 7.7861 7.8011 8.0357 8.0426 8.0621 8.1016 8.6226 8.6788 8.7083 8.7254 10.4173 10.4240 10.4971 10.5051 10.9693 10.9940 11.3112 11.3129 14.1001 14.1004 k = 0.0000 0.0000 0.0910 ( 2895 PWs) bands (ev): -24.3939 -24.3939 -7.3110 -7.3060 -6.2466 -6.2390 -6.1213 -6.1212 -1.5695 -1.5660 4.1714 4.1773 4.8363 4.8441 5.7611 5.7654 6.0941 6.1127 6.4488 6.4527 7.8051 7.8242 8.0269 8.0308 8.0611 8.1034 8.6287 8.6962 8.7177 8.7386 10.3406 10.3457 10.4144 10.4208 11.0010 11.0250 11.4115 11.4133 14.0725 14.0728 k = 0.0000 0.0000 0.1092 ( 2895 PWs) bands (ev): -24.3937 -24.3937 -7.3123 -7.3065 -6.2480 -6.2390 -6.1238 -6.1236 -1.5521 -1.5480 4.1653 4.1721 4.7439 4.7518 5.7325 5.7369 6.1668 6.1872 6.4838 6.4887 7.8277 7.8512 8.0167 8.0189 8.0595 8.1044 8.6380 8.7159 8.7290 8.7544 10.2607 10.2638 10.3248 10.3293 11.0378 11.0604 11.5167 11.5186 14.0245 14.0247 k = 0.0000 0.0000 0.1274 ( 2895 PWs) bands (ev): -24.3935 -24.3935 -7.3138 -7.3071 -6.2495 -6.2390 -6.1267 -6.1264 -1.5316 -1.5269 4.1579 4.1653 4.6486 4.6562 5.7039 5.7080 6.2386 6.2605 6.5204 6.5264 7.8526 7.8811 8.0055 8.0078 8.0574 8.1047 8.6503 8.7385 8.7417 8.7729 10.1755 10.1755 10.2340 10.2372 11.0798 11.1006 11.6258 11.6277 13.9546 13.9547 k = 0.0000 0.0000 0.1456 ( 2891 PWs) bands (ev): -24.3933 -24.3933 -7.3154 -7.3079 -6.2510 -6.2392 -6.1300 -6.1296 -1.5080 -1.5028 4.1490 4.1569 4.5515 4.5590 5.6761 5.6798 6.3079 6.3311 6.5578 6.5649 7.8775 7.9123 7.9941 7.9990 8.0549 8.1046 8.6651 8.7537 8.7658 8.7946 10.0754 10.0798 10.1499 10.1527 11.1272 11.1460 11.7382 11.7401 13.8649 13.8652 k = 0.0000 0.0000 0.1638 ( 2894 PWs) bands (ev): -24.3931 -24.3931 -7.3172 -7.3088 -6.2527 -6.2395 -6.1337 -6.1331 -1.4813 -1.4755 4.1384 4.1465 4.4537 4.4609 5.6500 5.6529 6.3736 6.3979 6.5953 6.6034 7.8977 7.9390 7.9872 7.9958 8.0525 8.1042 8.6815 8.7655 8.7971 8.8203 9.9650 9.9737 10.0754 10.0775 11.1801 11.1969 11.8536 11.8554 13.7598 13.7604 k = 0.0000 0.0000 0.1820 ( 2894 PWs) bands (ev): -24.3928 -24.3928 -7.3190 -7.3099 -6.2544 -6.2399 -6.1377 -6.1369 -1.4516 -1.4453 4.1259 4.1341 4.3558 4.3627 5.6262 5.6280 6.4352 6.4603 6.6324 6.6414 7.9070 7.9443 8.0000 8.0022 8.0512 8.1040 8.6981 8.7755 8.8336 8.8511 9.8490 9.8621 10.0087 10.0097 11.2385 11.2536 11.9716 11.9735 13.6438 13.6448 k = 0.0000 0.0000 0.2002 ( 2892 PWs) bands (ev): -24.3925 -24.3925 -7.3210 -7.3112 -6.2561 -6.2404 -6.1420 -6.1411 -1.4189 -1.4122 4.1115 4.1195 4.2583 4.2648 5.6049 5.6054 6.4924 6.5180 6.6686 6.6784 7.9041 7.9317 8.0143 8.0271 8.0554 8.1048 8.7133 8.7827 8.8750 8.8876 9.7313 9.7488 9.9488 9.9494 11.3027 11.3161 12.0922 12.0941 13.5205 13.5223 k = 0.0000 0.0000 0.2184 ( 2890 PWs) bands (ev): -24.3922 -24.3922 -7.3231 -7.3126 -6.2579 -6.2410 -6.1466 -6.1454 -1.3832 -1.3761 4.0950 4.1025 4.1616 4.1678 5.5855 5.5865 6.5451 6.5709 6.7034 6.7137 7.8936 7.9139 8.0194 8.0527 8.0716 8.1087 8.7254 8.7860 8.9204 8.9297 9.6146 9.6368 9.8959 9.8986 11.3726 11.3845 12.2153 12.2172 13.3931 13.3958 k = 0.0000 0.0000 0.2366 ( 2886 PWs) bands (ev): -24.3919 -24.3919 -7.3252 -7.3142 -6.2597 -6.2417 -6.1515 -6.1501 -1.3447 -1.3372 4.0654 4.0708 4.0773 4.0837 5.5685 5.5713 6.5934 6.6190 6.7364 6.7471 7.8791 7.8935 8.0169 8.0690 8.0958 8.1198 8.7328 8.7842 8.9676 8.9754 9.5015 9.5290 9.8535 9.8588 11.4481 11.4588 12.3405 12.3425 13.2639 13.2675 k = 0.0000 0.0000 0.2548 ( 2884 PWs) bands (ev): -24.3915 -24.3915 -7.3274 -7.3159 -6.2616 -6.2425 -6.1567 -6.1549 -1.3033 -1.2956 3.9712 3.9770 4.0555 4.0617 5.5544 5.5591 6.6376 6.6626 6.7671 6.7779 7.8622 7.8712 8.0113 8.0748 8.1212 8.1382 8.7341 8.7754 9.0128 9.0204 9.3951 9.4282 9.8254 9.8340 11.5291 11.5387 12.4680 12.4700 13.1348 13.1394 k = 0.0000 0.0000 0.2730 ( 2876 PWs) bands (ev): -24.3911 -24.3911 -7.3297 -7.3177 -6.2634 -6.2434 -6.1620 -6.1599 -1.2591 -1.2512 3.8783 3.8837 4.0324 4.0376 5.5432 5.5499 6.6779 6.7021 6.7953 6.8057 7.8433 7.8469 8.0040 8.0752 8.1452 8.1583 8.7276 8.7579 9.0507 9.0580 9.2993 9.3376 9.8170 9.8292 11.6153 11.6241 12.5973 12.5995 13.0075 13.0131 k = 0.0000 0.0000 0.2912 ( 2876 PWs) bands (ev): -24.3907 -24.3907 -7.3321 -7.3197 -6.2653 -6.2444 -6.1675 -6.1650 -1.2123 -1.2041 3.7869 3.7921 4.0071 4.0113 5.5348 5.5436 6.7148 6.7378 6.8202 6.8297 7.8208 7.8225 7.9956 8.0733 8.1667 8.1769 8.7113 8.7300 9.0755 9.0791 9.2200 9.2604 9.8339 9.8493 11.7062 11.7144 12.7277 12.7308 12.8845 12.8902 k = 0.0000 0.0000 0.3094 ( 2868 PWs) bands (ev): -24.3903 -24.3903 -7.3345 -7.3217 -6.2671 -6.2454 -6.1731 -6.1703 -1.1627 -1.1545 3.6973 3.7022 3.9797 3.9827 5.5289 5.5399 6.7487 6.7699 6.8417 6.8495 7.7927 7.7998 7.9865 8.0704 8.1856 8.1931 8.6835 8.6914 9.0735 9.0829 9.1659 9.1989 9.8797 9.8972 11.8009 11.8089 12.7597 12.7704 12.8656 12.8665 k = 0.0000 0.0000 0.3276 ( 2872 PWs) bands (ev): -24.3899 -24.3899 -7.3370 -7.3239 -6.2690 -6.2465 -6.1789 -6.1757 -1.1106 -1.1023 3.6095 3.6142 3.9502 3.9521 5.5252 5.5384 6.7800 6.7984 6.8594 6.8642 7.7625 7.7748 7.9766 8.0667 8.2018 8.2067 8.6437 8.6442 9.0444 9.0722 9.1346 9.1537 9.9537 9.9720 11.8979 11.9063 12.6494 12.6593 12.9996 13.0002 k = 0.0000 0.0000 0.3459 ( 2872 PWs) bands (ev): -24.3894 -24.3894 -7.3394 -7.3262 -6.2708 -6.2477 -6.1848 -6.1811 -1.0560 -1.0476 3.5236 3.5281 3.9189 3.9196 5.5234 5.5386 6.8089 6.8227 6.8732 6.8738 7.7304 7.7475 7.9664 8.0626 8.2156 8.2180 8.5905 8.5964 9.0118 9.0470 9.1077 9.1217 10.0519 10.0699 11.9937 12.0036 12.5482 12.5576 13.1362 13.1370 k = 0.0000 0.0000 0.3641 ( 2872 PWs) bands (ev): -24.3890 -24.3890 -7.3419 -7.3285 -6.2726 -6.2489 -6.1907 -6.1866 -0.9989 -0.9906 3.4398 3.4441 3.8853 3.8858 5.5229 5.5401 6.8357 6.8406 6.8759 6.8867 7.6964 7.7176 7.9559 8.0582 8.2271 8.2272 8.5361 8.5448 8.9835 9.0134 9.0777 9.0971 10.1692 10.1864 12.0791 12.0929 12.4673 12.4741 13.2746 13.2754 k = 0.0000 0.0000 0.3823 ( 2868 PWs) bands (ev): -24.3885 -24.3885 -7.3445 -7.3310 -6.2744 -6.2502 -6.1966 -6.1921 -0.9394 -0.9312 3.3581 3.3622 3.8495 3.8511 5.5233 5.5422 6.8484 6.8591 6.8733 6.9017 7.6608 7.6853 7.9455 8.0537 8.2343 8.2367 8.4845 8.4941 8.9581 8.9754 9.0458 9.0764 10.3014 10.3175 12.1283 12.1499 12.4326 12.4332 13.4144 13.4151 k = 0.0000 0.0000 0.4005 ( 2866 PWs) bands (ev): -24.3881 -24.3881 -7.3470 -7.3335 -6.2761 -6.2515 -6.2025 -6.1976 -0.8776 -0.8695 3.2785 3.2824 3.8122 3.8148 5.5238 5.5442 6.8450 6.8570 6.8874 6.9197 7.6241 7.6510 7.9355 8.0492 8.2395 8.2443 8.4383 8.4476 8.9316 8.9342 9.0153 9.0582 10.4452 10.4602 12.1132 12.1407 12.4686 12.4724 13.5554 13.5560 k = 0.0000 0.0000 0.4187 ( 2866 PWs) bands (ev): -24.3876 -24.3876 -7.3495 -7.3360 -6.2777 -6.2529 -6.2084 -6.2031 -0.8135 -0.8057 3.2011 3.2048 3.7737 3.7772 5.5238 5.5455 6.8321 6.8381 6.9097 6.9392 7.5868 7.6150 7.9262 8.0450 8.2431 8.2502 8.3991 8.4074 8.8909 8.9009 8.9891 9.0416 10.5983 10.6122 12.0585 12.0879 12.5578 12.5619 13.6974 13.6978 k = 0.0000 0.0000 0.4369 ( 2866 PWs) bands (ev): -24.3871 -24.3871 -7.3520 -7.3386 -6.2793 -6.2542 -6.2142 -6.2085 -0.7473 -0.7397 3.1260 3.1295 3.7340 3.7383 5.5226 5.5452 6.8115 6.8118 6.9316 6.9589 7.5494 7.5780 7.9177 8.0413 8.2449 8.2542 8.3678 8.3744 8.8462 8.8652 8.9678 9.0258 10.7590 10.7721 11.9943 12.0251 12.6663 12.6701 13.8402 13.8403 k = 0.0000 0.0000 0.4551 ( 2870 PWs) bands (ev): -24.3866 -24.3866 -7.3545 -7.3412 -6.2809 -6.2557 -6.2200 -6.2138 -0.6790 -0.6717 3.0531 3.0565 3.6933 3.6982 5.5193 5.5425 6.7794 6.7845 6.9528 6.9785 7.5121 7.5406 7.9103 8.0384 8.2451 8.2563 8.3442 8.3486 8.8008 8.8259 8.9499 9.0103 10.9261 10.9384 11.9322 11.9643 12.7811 12.7848 13.9831 13.9833 k = 0.0000 0.0000 0.4733 ( 2862 PWs) bands (ev): -24.3861 -24.3861 -7.3569 -7.3438 -6.2824 -6.2571 -6.2256 -6.2190 -0.6086 -0.6017 2.9826 2.9858 3.6515 3.6569 5.5132 5.5366 6.7425 6.7526 6.9735 6.9979 7.4753 7.5035 7.9040 8.0363 8.2436 8.2565 8.3280 8.3295 8.7553 8.7849 8.9338 8.9947 11.0987 11.1103 11.8761 11.9097 12.8967 12.9004 14.1259 14.1264 k = 0.0000 0.0000 0.4915 ( 2862 PWs) bands (ev): -24.3856 -24.3856 -7.3593 -7.3465 -6.2839 -6.2586 -6.2311 -6.2241 -0.5363 -0.5298 2.9145 2.9175 3.6089 3.6146 5.5033 5.5265 6.7027 6.7174 6.9936 7.0170 7.4392 7.4670 7.8988 8.0350 8.2407 8.2554 8.3161 8.3181 8.7100 8.7433 8.9182 8.9786 11.2759 11.2870 11.8281 11.8630 13.0087 13.0126 14.2679 14.2690 k = 0.0000 0.0000 0.5097 ( 2858 PWs) bands (ev): -24.3851 -24.3851 -7.3616 -7.3491 -6.2853 -6.2601 -6.2364 -6.2291 -0.4622 -0.4561 2.8487 2.8516 3.5653 3.5712 5.4890 5.5117 6.6616 6.6805 7.0135 7.0359 7.4040 7.4316 7.8947 8.0345 8.2369 8.2538 8.3073 8.3128 8.6652 8.7020 8.9024 8.9619 11.4572 11.4679 11.7889 11.8251 13.1127 13.1170 14.4085 14.4102 k = 0.0000 0.0000 0.5279 ( 2858 PWs) bands (ev): -24.3846 -24.3846 -7.3639 -7.3517 -6.2867 -6.2618 -6.2414 -6.2339 -0.3862 -0.3807 2.7854 2.7882 3.5208 3.5267 5.4696 5.4915 6.6209 6.6432 7.0329 7.0546 7.3699 7.3976 7.8914 8.0347 8.2325 8.2527 8.3016 8.3102 8.6211 8.6615 8.8861 8.9443 11.6419 11.6523 11.7595 11.7964 13.2032 13.2079 14.5350 14.5449 k = 0.0000 0.0000 0.5461 ( 2858 PWs) bands (ev): -24.3842 -24.3842 -7.3662 -7.3543 -6.2880 -6.2635 -6.2462 -6.2385 -0.3086 -0.3036 2.7245 2.7271 3.4754 3.4812 5.4447 5.4655 6.5818 6.6067 7.0521 7.0731 7.3374 7.3655 7.8888 8.0355 8.2277 8.2526 8.2982 8.3091 8.5781 8.6222 8.8691 8.9258 11.7386 11.7768 11.8308 11.8404 13.2733 13.2787 14.4976 14.5127 k = 0.0000 0.0000 0.5643 ( 2858 PWs) bands (ev): -24.3837 -24.3837 -7.3683 -7.3568 -6.2893 -6.2654 -6.2506 -6.2430 -0.2293 -0.2249 2.6661 2.6686 3.4290 3.4344 5.4142 5.4338 6.5448 6.5716 7.0710 7.0915 7.3070 7.3358 7.8869 8.0365 8.2224 8.2536 8.2962 8.3085 8.5364 8.5846 8.8513 8.9063 11.7289 11.7674 12.0211 12.0306 13.3164 13.3227 14.4830 14.4972 k = 0.0000 0.0000 0.5825 ( 2868 PWs) bands (ev): -24.3832 -24.3832 -7.3704 -7.3593 -6.2906 -6.2676 -6.2546 -6.2472 -0.1485 -0.1447 2.6102 2.6125 3.3815 3.3865 5.3782 5.3965 6.5104 6.5381 7.0894 7.1098 7.2794 7.3091 7.8854 8.0378 8.2160 8.2555 8.2952 8.3077 8.4965 8.5489 8.8326 8.8859 11.7287 11.7673 12.2139 12.2233 13.3290 13.3362 14.4941 14.5072 k = 0.0000 0.0000 0.6007 ( 2864 PWs) bands (ev): -24.3828 -24.3828 -7.3724 -7.3618 -6.2918 -6.2702 -6.2579 -6.2512 -0.0663 -0.0632 2.5568 2.5590 3.3329 3.3373 5.3374 5.3543 6.4782 6.5061 7.1075 7.1281 7.2555 7.2861 7.8844 8.0393 8.2083 8.2581 8.2949 8.3057 8.4592 8.5157 8.8131 8.8645 11.7383 11.7765 12.4085 12.4178 13.3126 13.3204 14.5216 14.5339 k = 0.0000 0.0000 0.6189 ( 2860 PWs) bands (ev): -24.3823 -24.3823 -7.3743 -7.3641 -6.2931 -6.2731 -6.2607 -6.2549 0.0172 0.0197 2.5059 2.5080 3.2831 3.2866 5.2924 5.3079 6.4479 6.4752 7.1247 7.1462 7.2363 7.2674 7.8837 8.0409 8.1987 8.2608 8.2949 8.3012 8.4259 8.4853 8.7929 8.8421 11.7574 11.7948 12.6044 12.6138 13.2730 13.2809 14.5462 14.5589 k = 0.0000 0.0000 0.6371 ( 2862 PWs) bands (ev): -24.3819 -24.3819 -7.3762 -7.3665 -6.2944 -6.2763 -6.2629 -6.2584 0.1019 0.1036 2.4575 2.4595 3.2319 3.2346 5.2441 5.2582 6.4188 6.4448 7.1403 7.1641 7.2232 7.2535 7.8833 8.0424 8.1868 8.2633 8.2920 8.2949 8.3988 8.4580 8.7719 8.8188 11.7855 11.8218 12.8013 12.8106 13.2175 13.2248 14.5510 14.5655 k = 0.0000 0.0000 0.6553 ( 2862 PWs) bands (ev): -24.3815 -24.3815 -7.3779 -7.3687 -6.2957 -6.2797 -6.2648 -6.2615 0.1876 0.1887 2.4117 2.4135 3.1793 3.1810 5.1936 5.2063 6.3902 6.4144 7.1531 7.1817 7.2178 7.2452 7.8832 8.0440 8.1724 8.2629 8.2782 8.2946 8.3801 8.4341 8.7504 8.7948 11.8221 11.8568 12.9983 13.0079 13.1523 13.1586 14.5361 14.5526 k = 0.0000 0.0000 0.6735 ( 2866 PWs) bands (ev): -24.3811 -24.3811 -7.3795 -7.3708 -6.2970 -6.2831 -6.2663 -6.2644 0.2743 0.2746 2.3685 2.3702 3.1251 3.1257 5.1417 5.1531 6.3616 6.3836 7.1622 7.1984 7.2212 7.2427 7.8832 8.0456 8.1553 8.2464 8.2732 8.2936 8.3694 8.4137 8.7286 8.7700 11.8666 11.8992 13.0825 13.0868 13.1953 13.2048 14.5092 14.5275 k = 0.0000 0.0000 0.6917 ( 2866 PWs) bands (ev): -24.3807 -24.3807 -7.3811 -7.3729 -6.2984 -6.2864 -6.2677 -6.2669 0.3613 0.3618 2.3278 2.3294 3.0688 3.0694 5.0895 5.0995 6.3327 6.3523 7.1692 7.2139 7.2320 7.2466 7.8835 8.0471 8.1359 8.2189 8.2746 8.2917 8.3640 8.3966 8.7067 8.7449 11.9183 11.9482 13.0117 13.0136 13.3908 13.4007 14.4756 14.4955 k = 0.0000 0.0000 0.7099 ( 2862 PWs) bands (ev): -24.3803 -24.3803 -7.3825 -7.3748 -6.2998 -6.2896 -6.2692 -6.2689 0.4486 0.4498 2.2897 2.2912 3.0101 3.0119 5.0378 5.0465 6.3033 6.3205 7.1771 7.2280 7.2471 7.2565 7.8840 8.0486 8.1146 8.1886 8.2765 8.2886 8.3612 8.3827 8.6849 8.7195 11.9760 12.0024 12.9414 12.9429 13.5844 13.5947 14.4380 14.4593 k = 0.0000 0.0000 0.7281 ( 2862 PWs) bands (ev): -24.3800 -24.3800 -7.3838 -7.3767 -6.3012 -6.2926 -6.2711 -6.2700 0.5362 0.5383 2.2542 2.2556 2.9497 2.9528 4.9873 4.9948 6.2735 6.2885 7.1874 7.2421 7.2643 7.2707 7.8845 8.0497 8.0919 8.1577 8.2783 8.2843 8.3594 8.3712 8.6636 8.6941 12.0385 12.0605 12.8727 12.8785 13.7747 13.7854 14.3976 14.4202 k = 0.0000 0.0000 0.7463 ( 2862 PWs) bands (ev): -24.3797 -24.3797 -7.3850 -7.3785 -6.3026 -6.2954 -6.2728 -6.2710 0.6241 0.6268 2.2213 2.2226 2.8877 2.8919 4.9388 4.9451 6.2437 6.2566 7.2007 7.2576 7.2825 7.2869 7.8852 8.0492 8.0699 8.1273 8.2785 8.2798 8.3576 8.3619 8.6430 8.6690 12.1038 12.1200 12.8098 12.8215 13.9602 13.9715 14.3550 14.3788 k = 0.0000 0.0000 0.7645 ( 2860 PWs) bands (ev): -24.3794 -24.3794 -7.3861 -7.3801 -6.3040 -6.2981 -6.2741 -6.2720 0.7118 0.7153 2.1910 2.1922 2.8242 2.8295 4.8927 4.8978 6.2143 6.2252 7.2169 7.2749 7.3011 7.3040 7.8859 8.0378 8.0580 8.0978 8.2715 8.2812 8.3542 8.3553 8.6233 8.6446 12.1690 12.1775 12.7558 12.7754 14.1389 14.1509 14.3103 14.3352 k = 0.0000 0.0000 0.7827 ( 2858 PWs) bands (ev): -24.3791 -24.3791 -7.3871 -7.3816 -6.3054 -6.3005 -6.2753 -6.2728 0.7990 0.8033 2.1634 2.1644 2.7593 2.7656 4.8494 4.8536 6.1856 6.1948 7.2354 7.2939 7.3199 7.3214 7.8865 8.0153 8.0569 8.0698 8.2632 8.2822 8.3476 8.3520 8.6049 8.6213 12.2283 12.2295 12.7154 12.7448 14.2634 14.2887 14.3092 14.3212 k = 0.0000 0.0000 0.8009 ( 2862 PWs) bands (ev): -24.3788 -24.3788 -7.3880 -7.3831 -6.3068 -6.3027 -6.2762 -6.2736 0.8854 0.8903 2.1383 2.1392 2.6934 2.7005 4.8095 4.8127 6.1582 6.1659 7.2558 7.3140 7.3385 7.3386 7.8869 7.9916 8.0438 8.0569 8.2540 8.2828 8.3419 8.3474 8.5881 8.5997 12.2659 12.2778 12.6954 12.7357 14.2144 14.2413 14.4655 14.4791 k = 0.0000 0.0000 0.8191 ( 2858 PWs) bands (ev): -24.3786 -24.3786 -7.3888 -7.3844 -6.3080 -6.3047 -6.2769 -6.2743 0.9704 0.9759 2.1159 2.1167 2.6269 2.6348 4.7732 4.7756 6.1324 6.1388 7.2774 7.3346 7.3552 7.3568 7.8868 7.9684 8.0205 8.0565 8.2442 8.2829 8.3370 8.3416 8.5730 8.5802 12.2856 12.3059 12.7033 12.7522 14.1632 14.1910 14.6060 14.6204 k = 0.0000 0.0000 0.8373 ( 2856 PWs) bands (ev): -24.3784 -24.3784 -7.3894 -7.3856 -6.3091 -6.3065 -6.2775 -6.2750 1.0533 1.0592 2.0961 2.0968 2.5606 2.5689 4.7406 4.7424 6.1088 6.1140 7.2994 7.3549 7.3711 7.3744 7.8859 7.9463 8.0006 8.0551 8.2346 8.2822 8.3325 8.3346 8.5597 8.5632 12.2882 12.3116 12.7405 12.7926 14.1100 14.1383 14.7255 14.7404 k = 0.0000 0.0000 0.8555 ( 2856 PWs) bands (ev): -24.3782 -24.3782 -7.3899 -7.3866 -6.3102 -6.3080 -6.2779 -6.2756 1.1332 1.1394 2.0789 2.0795 2.4953 2.5038 4.7121 4.7133 6.0876 6.0918 7.3213 7.3741 7.3860 7.3910 7.8836 7.9257 7.9850 8.0521 8.2257 8.2802 8.3272 8.3286 8.5482 8.5489 12.2793 12.3015 12.7992 12.8498 14.0551 14.0836 14.8198 14.8343 k = 0.0000 0.0000 0.8737 ( 2856 PWs) bands (ev): -24.3781 -24.3781 -7.3903 -7.3876 -6.3110 -6.3094 -6.2782 -6.2762 1.2087 1.2150 2.0644 2.0649 2.4324 2.4408 4.6878 4.6886 6.0692 6.0725 7.3424 7.3910 7.3997 7.4061 7.8795 7.9071 7.9748 8.0470 8.2188 8.2760 8.3205 8.3250 8.5373 8.5386 12.2651 12.2841 12.8693 12.9160 13.9995 14.0276 14.8872 14.9002 k = 0.0000 0.0000 0.8919 ( 2864 PWs) bands (ev): -24.3779 -24.3779 -7.3906 -7.3884 -6.3117 -6.3105 -6.2783 -6.2767 1.2780 1.2840 2.0525 2.0529 2.3739 2.3817 4.6678 4.6683 6.0538 6.0563 7.3619 7.4042 7.4128 7.4194 7.8737 7.8909 7.9703 8.0395 8.2145 8.2690 8.3156 8.3219 8.5285 8.5307 12.2500 12.2652 12.9427 12.9841 13.9449 13.9716 14.9308 14.9411 k = 0.0000 0.0000 0.9101 ( 2868 PWs) bands (ev): -24.3778 -24.3778 -7.3908 -7.3891 -6.3123 -6.3114 -6.2784 -6.2771 1.3385 1.3438 2.0433 2.0435 2.3223 2.3290 4.6521 4.6524 6.0417 6.0435 7.3794 7.4128 7.4248 7.4302 7.8674 7.8775 7.9711 8.0300 8.2134 8.2596 8.3129 8.3191 8.5222 8.5245 12.2368 12.2481 13.0130 13.0477 13.8942 13.9180 14.9568 14.9642 k = 0.0000 0.0000 0.9283 ( 2868 PWs) bands (ev): -24.3778 -24.3778 -7.3908 -7.3897 -6.3126 -6.3120 -6.2784 -6.2775 1.3867 1.3908 2.0366 2.0368 2.2813 2.2863 4.6409 4.6410 6.0330 6.0342 7.3942 7.4171 7.4344 7.4381 7.8618 7.8674 7.9762 8.0188 8.2156 8.2489 8.3120 8.3167 8.5181 8.5200 12.2269 12.2344 13.0740 13.0996 13.8524 13.8709 14.9716 14.9763 k = 0.0000 0.0000 0.9465 ( 2860 PWs) bands (ev): -24.3777 -24.3777 -7.3907 -7.3902 -6.3128 -6.3125 -6.2782 -6.2778 1.4187 1.4209 2.0327 2.0327 2.2549 2.2576 4.6341 4.6342 6.0278 6.0284 7.4057 7.4174 7.4408 7.4427 7.8584 7.8609 7.9845 8.0068 8.2208 8.2382 8.3122 8.3147 8.5161 8.5171 12.2215 12.2252 13.1185 13.1323 13.8255 13.8359 14.9794 14.9817 k = 0.0000 0.0000 0.9647 ( 2860 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3127 -6.3127 -6.2781 -6.2781 1.4306 1.4306 2.0314 2.0314 2.2466 2.2466 4.6319 4.6319 6.0263 6.0263 7.4136 7.4136 7.4436 7.4436 7.8579 7.8579 7.9951 7.9951 8.2286 8.2286 8.3132 8.3132 8.5157 8.5157 12.2208 12.2208 13.1393 13.1393 13.8194 13.8194 14.9825 14.9825 k = 0.0000 0.0000 0.9647 ( 2860 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3127 -6.3127 -6.2781 -6.2781 1.4306 1.4306 2.0314 2.0314 2.2466 2.2466 4.6319 4.6319 6.0263 6.0263 7.4136 7.4136 7.4436 7.4436 7.8579 7.8579 7.9951 7.9951 8.2286 8.2286 8.3132 8.3132 8.5157 8.5157 12.2208 12.2208 13.1393 13.1393 13.8194 13.8194 14.9825 14.9825 k =-0.0092 0.0152 0.9647 ( 2864 PWs) bands (ev): -24.3777 -24.3777 -7.3908 -7.3901 -6.3128 -6.3124 -6.2788 -6.2774 1.4231 1.4239 2.0359 2.0365 2.2476 2.2478 4.6367 4.6380 6.0240 6.0247 7.4118 7.4136 7.4380 7.4450 7.8473 7.8656 7.9952 7.9996 8.2306 8.2310 8.3137 8.3150 8.5131 8.5217 12.2196 12.2201 13.1384 13.1387 13.8206 13.8224 14.9782 14.9818 k =-0.0184 0.0303 0.9647 ( 2868 PWs) bands (ev): -24.3778 -24.3778 -7.3911 -7.3896 -6.3126 -6.3119 -6.2797 -6.2768 1.4020 1.4037 2.0496 2.0508 2.2508 2.2512 4.6524 4.6549 6.0180 6.0192 7.4072 7.4120 7.4283 7.4437 7.8348 7.8696 8.0002 8.0080 8.2370 8.2376 8.3172 8.3190 8.5141 8.5311 12.2164 12.2173 13.1362 13.1368 13.8257 13.8294 14.9687 14.9757 k =-0.0275 0.0455 0.9647 ( 2866 PWs) bands (ev): -24.3778 -24.3778 -7.3913 -7.3890 -6.3122 -6.3111 -6.2807 -6.2763 1.3691 1.3718 2.0709 2.0724 2.2562 2.2568 4.6788 4.6824 6.0081 6.0099 7.3982 7.4055 7.4187 7.4419 7.8210 7.8696 8.0100 8.0194 8.2453 8.2496 8.3242 8.3248 8.5187 8.5442 12.2113 12.2126 13.1327 13.1335 13.8344 13.8399 14.9538 14.9639 k =-0.0367 0.0606 0.9647 ( 2870 PWs) bands (ev): -24.3779 -24.3779 -7.3914 -7.3884 -6.3116 -6.3102 -6.2818 -6.2759 1.3265 1.3303 2.0979 2.0995 2.2639 2.2647 4.7154 4.7201 5.9945 5.9966 7.3846 7.3893 7.4151 7.4410 7.8063 7.8658 8.0232 8.0329 8.2546 8.2663 8.3325 8.3356 8.5271 8.5609 12.2043 12.2058 13.1279 13.1289 13.8460 13.8531 14.9332 14.9458 k =-0.0459 0.0758 0.9647 ( 2870 PWs) bands (ev): -24.3780 -24.3780 -7.3914 -7.3876 -6.3107 -6.3089 -6.2829 -6.2756 1.2764 1.2814 2.1289 2.1304 2.2737 2.2747 4.7618 4.7674 5.9772 5.9795 7.3676 7.3686 7.4136 7.4412 7.7911 7.8590 8.0386 8.0475 8.2640 8.2871 8.3420 8.3519 8.5397 8.5814 12.1954 12.1971 13.1218 13.1231 13.8593 13.8680 14.9067 14.9216 k =-0.0551 0.0909 0.9647 ( 2866 PWs) bands (ev): -24.3782 -24.3782 -7.3913 -7.3868 -6.3097 -6.3075 -6.2842 -6.2754 1.2204 1.2267 2.1627 2.1638 2.2858 2.2870 4.8173 4.8237 5.9562 5.9585 7.3460 7.3485 7.4125 7.4419 7.7757 7.8501 8.0547 8.0623 8.2733 8.3113 8.3534 8.3729 8.5568 8.6058 12.1846 12.1864 13.1147 13.1161 13.8726 13.8827 14.8296 14.8321 k =-0.0643 0.1061 0.9647 ( 2858 PWs) bands (ev): -24.3783 -24.3783 -7.3912 -7.3860 -6.3084 -6.3058 -6.2855 -6.2752 1.1600 1.1676 2.1982 2.1987 2.3002 2.3015 4.8812 4.8882 5.9319 5.9338 7.3229 7.3288 7.4115 7.4430 7.7605 7.8398 8.0703 8.0766 8.2827 8.3378 8.3674 8.3983 8.5786 8.6341 12.1720 12.1738 13.1066 13.1080 13.8837 13.8949 14.6745 14.6791 k =-0.0734 0.1212 0.9647 ( 2862 PWs) bands (ev): -24.3785 -24.3785 -7.3910 -7.3850 -6.3069 -6.3040 -6.2869 -6.2751 1.0962 1.1051 2.2346 2.2350 2.3167 2.3181 4.9525 4.9601 5.9044 5.9057 7.3001 7.3095 7.4106 7.4441 7.7456 7.8286 8.0846 8.0898 8.2925 8.3634 8.3864 8.4274 8.6053 8.6662 12.1578 12.1594 13.0975 13.0991 13.8895 13.9018 14.5104 14.5155 k =-0.0826 0.1364 0.9647 ( 2864 PWs) bands (ev): -24.3787 -24.3787 -7.3907 -7.3840 -6.3051 -6.3019 -6.2883 -6.2751 1.0299 1.0402 2.2711 2.2725 2.3355 2.3370 5.0304 5.0385 5.8743 5.8746 7.2785 7.2912 7.4098 7.4449 7.7314 7.8170 8.0973 8.1016 8.3033 8.3841 8.4142 8.4597 8.6370 8.7021 12.1418 12.1432 13.0877 13.0893 13.8870 13.8999 14.3395 14.3449 k =-0.0918 0.1515 0.9647 ( 2864 PWs) bands (ev): -24.3790 -24.3790 -7.3904 -7.3829 -6.3033 -6.2997 -6.2897 -6.2751 0.9617 0.9733 2.3078 2.3105 2.3567 2.3580 5.1134 5.1220 5.8412 5.8422 7.2583 7.2745 7.4088 7.4454 7.7181 7.8053 8.1081 8.1118 8.3155 8.4021 8.4484 8.4949 8.6735 8.7416 12.1244 12.1255 13.0773 13.0789 13.8730 13.8862 14.1634 14.1691 k =-0.0918 0.1515 0.9647 ( 2864 PWs) bands (ev): -24.3790 -24.3790 -7.3904 -7.3829 -6.3033 -6.2997 -6.2897 -6.2751 0.9617 0.9733 2.3078 2.3105 2.3567 2.3580 5.1134 5.1220 5.8412 5.8422 7.2583 7.2745 7.4088 7.4454 7.7181 7.8053 8.1081 8.1118 8.3155 8.4021 8.4484 8.4949 8.6735 8.7416 12.1244 12.1255 13.0773 13.0789 13.8730 13.8862 14.1634 14.1691 k =-0.0984 0.1624 0.9520 ( 2856 PWs) bands (ev): -24.3791 -24.3791 -7.3900 -7.3821 -6.3022 -6.2979 -6.2905 -6.2749 0.9114 0.9240 2.2889 2.2976 2.4143 2.4211 5.1758 5.1849 5.8177 5.8201 7.2419 7.2596 7.4119 7.4479 7.7092 7.7969 8.1107 8.1214 8.3251 8.4142 8.4757 8.5225 8.7034 8.7726 12.1118 12.1140 13.0632 13.0688 13.8529 13.8667 14.0337 14.0399 k =-0.1050 0.1732 0.9393 ( 2856 PWs) bands (ev): -24.3793 -24.3793 -7.3897 -7.3812 -6.3022 -6.2959 -6.2907 -6.2740 0.8598 0.8735 2.2521 2.2623 2.4975 2.5044 5.2399 5.2497 5.7972 5.8012 7.2212 7.2389 7.4212 7.4546 7.7007 7.7885 8.1111 8.1298 8.3348 8.4252 8.5052 8.5527 8.7374 8.8060 12.1012 12.1052 13.0412 13.0512 13.8010 13.8163 13.9200 13.9301 k =-0.1116 0.1841 0.9266 ( 2858 PWs) bands (ev): -24.3796 -24.3796 -7.3892 -7.3802 -6.3031 -6.2943 -6.2900 -6.2724 0.8077 0.8226 2.2132 2.2246 2.5851 2.5918 5.3042 5.3149 5.7811 5.7870 7.1975 7.2145 7.4346 7.4646 7.6924 7.7799 8.1109 8.1360 8.3448 8.4355 8.5368 8.5848 8.7751 8.8417 12.0931 12.0988 13.0133 13.0271 13.6806 13.6935 13.8655 13.8770 k =-0.1181 0.1950 0.9139 ( 2858 PWs) bands (ev): -24.3798 -24.3798 -7.3887 -7.3792 -6.3048 -6.2942 -6.2875 -6.2699 0.7558 0.7718 2.1736 2.1862 2.6749 2.6815 5.3661 5.3779 5.7719 5.7801 7.1720 7.1884 7.4505 7.4769 7.6842 7.7711 8.1103 8.1402 8.3548 8.4453 8.5705 8.6186 8.8158 8.8793 12.0875 12.0949 12.9807 12.9978 13.5267 13.5382 13.8340 13.8453 k =-0.1247 0.2058 0.9012 ( 2858 PWs) bands (ev): -24.3801 -24.3801 -7.3881 -7.3782 -6.3068 -6.2950 -6.2839 -6.2668 0.7045 0.7216 2.1338 2.1475 2.7660 2.7726 5.4220 5.4350 5.7732 5.7839 7.1457 7.1614 7.4679 7.4906 7.6762 7.7622 8.1094 8.1429 8.3649 8.4548 8.6063 8.6539 8.8589 8.9186 12.0845 12.0935 12.9438 12.9638 13.3627 13.3740 13.8039 13.8147 k =-0.1313 0.2167 0.8885 ( 2862 PWs) bands (ev): -24.3804 -24.3804 -7.3875 -7.3772 -6.3092 -6.2963 -6.2799 -6.2630 0.6540 0.6723 2.0941 2.1089 2.8577 2.8642 5.4675 5.4814 5.7900 5.8029 7.1190 7.1343 7.4861 7.5051 7.6684 7.7531 8.1083 8.1441 8.3752 8.4640 8.6441 8.6909 8.9036 8.9592 12.0840 12.0944 12.9012 12.9243 13.1966 13.2086 13.7719 13.7823 k =-0.1379 0.2276 0.8758 ( 2866 PWs) bands (ev): -24.3806 -24.3806 -7.3868 -7.3762 -6.3117 -6.2980 -6.2754 -6.2588 0.6047 0.6241 2.0547 2.0705 2.9493 2.9558 5.4999 5.5135 5.8258 5.8398 7.0926 7.1075 7.5046 7.5195 7.6610 7.7440 8.1070 8.1443 8.3857 8.4732 8.6840 8.7294 8.9495 9.0006 12.0856 12.0974 12.8457 12.8708 13.0404 13.0531 13.7379 13.7478 k =-0.1445 0.2384 0.8631 ( 2864 PWs) bands (ev): -24.3809 -24.3809 -7.3861 -7.3752 -6.3143 -6.2998 -6.2707 -6.2542 0.5568 0.5773 2.0158 2.0326 3.0401 3.0467 5.5207 5.5329 5.8792 5.8934 7.0667 7.0815 7.5231 7.5331 7.6543 7.7350 8.1057 8.1436 8.3964 8.4824 8.7258 8.7697 8.9959 9.0425 12.0884 12.1014 12.7527 12.7717 12.9284 12.9355 13.7021 13.7117 k =-0.1511 0.2493 0.8504 ( 2866 PWs) bands (ev): -24.3813 -24.3813 -7.3854 -7.3742 -6.3171 -6.3018 -6.2657 -6.2493 0.5105 0.5320 1.9777 1.9954 3.1295 3.1362 5.5340 5.5445 5.9453 5.9593 7.0416 7.0562 7.5412 7.5451 7.6489 7.7264 8.1045 8.1423 8.4074 8.4917 8.7696 8.8117 9.0424 9.0844 12.0900 12.1040 12.6124 12.6231 12.8652 12.8740 13.6651 13.6744 k =-0.1576 0.2601 0.8377 ( 2866 PWs) bands (ev): -24.3816 -24.3816 -7.3847 -7.3733 -6.3199 -6.3040 -6.2605 -6.2443 0.4657 0.4883 1.9404 1.9590 3.2168 3.2235 5.5447 5.5536 6.0191 6.0332 7.0175 7.0321 7.5541 7.5587 7.6454 7.7186 8.1034 8.1404 8.4187 8.5010 8.8154 8.8555 9.0884 9.1260 12.0838 12.0980 12.4602 12.4685 12.8225 12.8351 13.6272 13.6365 k =-0.1642 0.2710 0.8250 ( 2862 PWs) bands (ev): -24.3819 -24.3819 -7.3840 -7.3723 -6.3227 -6.3061 -6.2551 -6.2390 0.4227 0.4462 1.9042 1.9236 3.3012 3.3081 5.5560 5.5637 6.0973 6.1117 6.9945 7.0091 7.5590 7.5752 7.6443 7.7124 8.1026 8.1383 8.4303 8.5104 8.8631 8.9010 9.1337 9.1669 12.0490 12.0609 12.3340 12.3425 12.7890 12.8036 13.5888 13.5981 k =-0.1708 0.2819 0.8123 ( 2867 PWs) bands (ev): -24.3822 -24.3822 -7.3832 -7.3715 -6.3255 -6.3084 -6.2496 -6.2337 0.3815 0.4060 1.8691 1.8893 3.3821 3.3891 5.5702 5.5771 6.1777 6.1926 6.9727 6.9875 7.5595 7.5901 7.6453 7.7089 8.1020 8.1359 8.4422 8.5200 8.9126 8.9482 9.1776 9.2067 11.9523 11.9586 12.2724 12.2828 12.7613 12.7767 13.5499 13.5593 k =-0.1774 0.2927 0.7996 ( 2867 PWs) bands (ev): -24.3825 -24.3825 -7.3825 -7.3706 -6.3283 -6.3106 -6.2439 -6.2283 0.3422 0.3676 1.8352 1.8561 3.4587 3.4658 5.5891 5.5955 6.2589 6.2743 6.9524 6.9673 7.5560 7.6021 7.6474 7.7094 8.1018 8.1334 8.4544 8.5296 8.9636 8.9969 9.2200 9.2454 11.8057 11.8081 12.2635 12.2760 12.7384 12.7540 13.5102 13.5202 k =-0.1840 0.3036 0.7869 ( 2863 PWs) bands (ev): -24.3829 -24.3829 -7.3818 -7.3698 -6.3311 -6.3129 -6.2382 -6.2229 0.3049 0.3312 1.8027 1.8243 3.5303 3.5376 5.6138 5.6201 6.3396 6.3554 6.9337 6.9488 7.5497 7.6091 7.6512 7.7144 8.1019 8.1311 8.4669 8.5393 9.0158 9.0471 9.2602 9.2829 11.6412 11.6417 12.2771 12.2905 12.7202 12.7356 13.4691 13.4800 k =-0.1906 0.3145 0.7742 ( 2863 PWs) bands (ev): -24.3832 -24.3832 -7.3811 -7.3691 -6.3339 -6.3151 -6.2325 -6.2176 0.2695 0.2966 1.7717 1.7939 3.5964 3.6038 5.6450 5.6514 6.4192 6.4350 6.9168 6.9322 7.5415 7.6093 7.6582 7.7229 8.1025 8.1290 8.4796 8.5490 9.0681 9.0986 9.2976 9.3198 11.4720 11.4728 12.3003 12.3137 12.7070 12.7217 13.4251 13.4374 k =-0.1972 0.3253 0.7615 ( 2869 PWs) bands (ev): -24.3835 -24.3835 -7.3805 -7.3684 -6.3366 -6.3173 -6.2269 -6.2123 0.2361 0.2641 1.7421 1.7649 3.6565 3.6639 5.6834 5.6901 6.4967 6.5115 6.9018 6.9182 7.5319 7.6039 7.6675 7.7335 8.1037 8.1275 8.4923 8.5586 9.1189 9.1511 9.3317 9.3570 11.3041 11.3058 12.3283 12.3409 12.6988 12.7124 13.3748 13.3892 k =-0.2037 0.3362 0.7488 ( 2865 PWs) bands (ev): -24.3838 -24.3838 -7.3798 -7.3678 -6.3392 -6.3195 -6.2212 -6.2072 0.2049 0.2335 1.7142 1.7375 3.7103 3.7178 5.7290 5.7362 6.5714 6.5836 6.8891 6.9078 7.5215 7.5952 7.6776 7.7452 8.1052 8.1270 8.5050 8.5680 9.1660 9.2035 9.3628 9.3956 11.1409 11.1433 12.3584 12.3694 12.6958 12.7079 13.3116 13.3291 k =-0.2103 0.3471 0.7361 ( 2871 PWs) bands (ev): -24.3841 -24.3841 -7.3792 -7.3673 -6.3417 -6.3215 -6.2157 -6.2022 0.1756 0.2050 1.6880 1.7117 3.7577 3.7652 5.7818 5.7895 6.6422 6.6485 6.8791 6.9031 7.5104 7.5847 7.6873 7.7570 8.1071 8.1277 8.5175 8.5770 9.2064 9.2526 9.3937 9.4366 10.9847 10.9880 12.3877 12.3965 12.6973 12.7075 13.2276 13.2493 k =-0.2169 0.3579 0.7234 ( 2867 PWs) bands (ev): -24.3844 -24.3844 -7.3787 -7.3668 -6.3441 -6.3235 -6.2104 -6.1974 0.1485 0.1786 1.6634 1.6876 3.7988 3.8064 5.8413 5.8495 6.7022 6.7077 6.8729 6.9082 7.4987 7.5730 7.6961 7.7684 8.1095 8.1301 8.5295 8.5854 9.2376 9.2917 9.4297 9.4811 10.8381 10.8424 12.4129 12.4194 12.7009 12.7096 13.1263 13.1520 k =-0.2235 0.3688 0.7107 ( 2861 PWs) bands (ev): -24.3846 -24.3846 -7.3781 -7.3663 -6.3463 -6.3254 -6.2052 -6.1929 0.1235 0.1542 1.6407 1.6653 3.8340 3.8414 5.9066 5.9153 6.7403 6.7631 6.8745 6.9275 7.4865 7.5605 7.7036 7.7790 8.1124 8.1345 8.5409 8.5928 9.2569 9.3133 9.4764 9.5296 10.7037 10.7094 12.4280 12.4336 12.6996 12.7095 13.0288 13.0562 k =-0.2301 0.3796 0.6980 ( 2861 PWs) bands (ev): -24.3849 -24.3849 -7.3776 -7.3659 -6.3484 -6.3272 -6.2003 -6.1887 0.1007 0.1319 1.6198 1.6447 3.8636 3.8709 5.9765 5.9857 6.7617 6.7988 6.8936 6.9616 7.4739 7.5474 7.7095 7.7882 8.1163 8.1408 8.5511 8.5990 9.2627 9.3155 9.5334 9.5816 10.5846 10.5921 12.4232 12.4296 12.6840 12.6992 12.9636 12.9884 k =-0.2367 0.3905 0.6853 ( 2861 PWs) bands (ev): -24.3851 -24.3851 -7.3772 -7.3656 -6.3504 -6.3288 -6.1957 -6.1847 0.0799 0.1116 1.6007 1.6260 3.8881 3.8953 6.0495 6.0591 6.7723 6.8121 6.9331 7.0046 7.4609 7.5337 7.7139 7.7958 8.1217 8.1491 8.5597 8.6033 9.2543 9.3005 9.5959 9.6353 10.4840 10.4941 12.3858 12.3898 12.6611 12.6796 12.9448 12.9648 k =-0.2432 0.4014 0.6726 ( 2866 PWs) bands (ev): -24.3853 -24.3853 -7.3768 -7.3653 -6.3521 -6.3303 -6.1915 -6.1812 0.0614 0.0935 1.5836 1.6091 3.9081 3.9151 6.1236 6.1336 6.7782 6.8160 6.9800 7.0503 7.4474 7.5194 7.7165 7.8013 8.1292 8.1595 8.5660 8.6050 9.2320 9.2705 9.6598 9.6881 10.4047 10.4185 12.3073 12.3107 12.6520 12.6684 12.9577 12.9747 k =-0.2498 0.4122 0.6599 ( 2869 PWs) bands (ev): -24.3855 -24.3855 -7.3764 -7.3650 -6.3537 -6.3316 -6.1876 -6.1780 0.0450 0.0775 1.5684 1.5941 3.9242 3.9311 6.1966 6.2068 6.7834 6.8185 7.0268 7.0949 7.4336 7.5048 7.7173 7.8045 8.1392 8.1719 8.5695 8.6035 9.1979 9.2283 9.7209 9.7372 10.3490 10.3676 12.1998 12.2091 12.6576 12.6716 12.9828 12.9989 k =-0.2564 0.4231 0.6472 ( 2865 PWs) bands (ev): -24.3857 -24.3857 -7.3761 -7.3648 -6.3551 -6.3328 -6.1841 -6.1752 0.0308 0.0637 1.5551 1.5811 3.9370 3.9436 6.2660 6.2762 6.7901 6.8225 7.0708 7.1364 7.4195 7.4898 7.7165 7.8055 8.1521 8.1866 8.5692 8.5978 9.1552 9.1775 9.7730 9.7821 10.3175 10.3420 12.0842 12.0972 12.6708 12.6840 13.0073 13.0236 k =-0.2630 0.4340 0.6345 ( 2869 PWs) bands (ev): -24.3858 -24.3858 -7.3759 -7.3647 -6.3563 -6.3338 -6.1810 -6.1728 0.0187 0.0519 1.5439 1.5700 3.9469 3.9534 6.3288 6.3389 6.7995 6.8290 7.1114 7.1737 7.4054 7.4746 7.7142 7.8042 8.1679 8.2034 8.5641 8.5870 9.1091 9.1234 9.8078 9.8255 10.3092 10.3395 11.9706 11.9855 12.6871 12.7008 13.0239 13.0410 k =-0.2696 0.4448 0.6218 ( 2869 PWs) bands (ev): -24.3859 -24.3859 -7.3756 -7.3645 -6.3573 -6.3346 -6.1785 -6.1709 0.0089 0.0423 1.5347 1.5609 3.9544 3.9608 6.3825 6.3922 6.8121 6.8380 7.1479 7.2056 7.3916 7.4596 7.7108 7.8012 8.1865 8.2220 8.5534 8.5709 9.0650 9.0716 9.8308 9.8596 10.3205 10.3547 11.8658 11.8810 12.7043 12.7190 13.0309 13.0488 k =-0.2762 0.4557 0.6091 ( 2872 PWs) bands (ev): -24.3860 -24.3860 -7.3755 -7.3644 -6.3581 -6.3353 -6.1764 -6.1694 0.0012 0.0348 1.5275 1.5538 3.9599 3.9661 6.4248 6.4341 6.8269 6.8488 7.1801 7.2309 7.3789 7.4452 7.7069 7.7972 8.2069 8.2415 8.5374 8.5505 9.0271 9.0277 9.8456 9.8829 10.3447 10.3797 11.7756 11.7895 12.7205 12.7363 13.0307 13.0492 k =-0.2827 0.4666 0.5964 ( 2870 PWs) bands (ev): -24.3861 -24.3861 -7.3753 -7.3643 -6.3587 -6.3358 -6.1749 -6.1683 -0.0043 0.0295 1.5223 1.5488 3.9636 3.9697 6.4547 6.4637 6.8417 6.8592 7.2074 7.2480 7.3687 7.4326 7.7033 7.7932 8.2270 8.2600 8.5185 8.5291 8.9938 9.0001 9.8545 9.8972 10.3725 10.4058 11.7059 11.7166 12.7338 12.7507 13.0271 13.0461 k =-0.2893 0.4774 0.5837 ( 2866 PWs) bands (ev): -24.3861 -24.3861 -7.3753 -7.3643 -6.3590 -6.3360 -6.1740 -6.1677 -0.0076 0.0263 1.5192 1.5457 3.9657 3.9718 6.4722 6.4812 6.8528 6.8668 7.2281 7.2555 7.3625 7.4235 7.7007 7.7902 8.2431 8.2742 8.5022 8.5119 8.9735 8.9835 9.8591 9.9047 10.3944 10.4251 11.6623 11.6683 12.7427 12.7604 13.0234 13.0427 k =-0.2959 0.4883 0.5709 ( 2868 PWs) bands (ev): -24.3861 -24.3861 -7.3753 -7.3643 -6.3591 -6.3361 -6.1737 -6.1675 -0.0087 0.0252 1.5182 1.5447 3.9664 3.9725 6.4780 6.4870 6.8570 6.8695 7.2369 7.2559 7.3605 7.4201 7.6998 7.7891 8.2494 8.2795 8.4958 8.5051 8.9668 8.9780 9.8605 9.9070 10.4028 10.4321 11.6487 11.6501 12.7459 12.7638 13.0218 13.0414 k =-0.2959 0.4883 0.5709 ( 2868 PWs) bands (ev): -24.3861 -24.3861 -7.3753 -7.3643 -6.3591 -6.3361 -6.1737 -6.1675 -0.0087 0.0252 1.5182 1.5447 3.9664 3.9725 6.4780 6.4870 6.8570 6.8695 7.2369 7.2559 7.3605 7.4201 7.6998 7.7891 8.2494 8.2795 8.4958 8.5051 8.9668 8.9780 9.8605 9.9070 10.4028 10.4321 11.6487 11.6501 12.7459 12.7638 13.0218 13.0414 k =-0.2893 0.4774 0.5583 ( 2872 PWs) bands (ev): -24.3860 -24.3860 -7.3753 -7.3653 -6.3590 -6.3380 -6.1729 -6.1672 0.0311 0.0649 1.4404 1.4671 4.0344 4.0412 6.4553 6.4647 6.8833 6.8919 7.2162 7.2281 7.3732 7.4272 7.7126 7.7994 8.2661 8.2943 8.4510 8.4543 8.9482 8.9502 9.7925 9.8388 10.3229 10.3533 11.6348 11.6362 12.7488 12.7673 13.0855 13.1045 k =-0.2828 0.4666 0.5456 ( 2880 PWs) bands (ev): -24.3858 -24.3858 -7.3752 -7.3662 -6.3586 -6.3397 -6.1720 -6.1669 0.0657 0.0991 1.3713 1.3980 4.1028 4.1103 6.4316 6.4410 6.9025 6.9047 7.2047 7.2068 7.3849 7.4336 7.7265 7.8106 8.2832 8.3102 8.3988 8.4006 8.9301 8.9378 9.7277 9.7735 10.2457 10.2771 11.6259 11.6272 12.7522 12.7710 13.1511 13.1694 k =-0.2762 0.4557 0.5329 ( 2888 PWs) bands (ev): -24.3857 -24.3857 -7.3749 -7.3670 -6.3579 -6.3412 -6.1711 -6.1666 0.0933 0.1258 1.3132 1.3394 4.1711 4.1793 6.4076 6.4166 6.9054 6.9115 7.1954 7.2052 7.3951 7.4391 7.7413 7.8226 8.2942 8.3234 8.3472 8.3503 8.9158 8.9332 9.6666 9.7113 10.1712 10.2035 11.6218 11.6229 12.7565 12.7756 13.2185 13.2360 k =-0.2696 0.4449 0.5202 ( 2888 PWs) bands (ev): -24.3856 -24.3856 -7.3744 -7.3676 -6.3569 -6.3423 -6.1701 -6.1663 0.1116 0.1425 1.2687 1.2937 4.2386 4.2475 6.3841 6.3924 6.8939 6.9078 7.1959 7.2178 7.4032 7.4434 7.7568 7.8356 8.2606 8.2837 8.3404 8.3522 8.9055 8.9323 9.6096 9.6527 10.0996 10.1327 11.6227 11.6235 12.7624 12.7816 13.2878 13.3043 k =-0.2630 0.4340 0.5075 ( 2888 PWs) bands (ev): -24.3856 -24.3856 -7.3737 -7.3680 -6.3555 -6.3432 -6.1692 -6.1659 0.1185 0.1470 1.2401 1.2631 4.3046 4.3144 6.3619 6.3690 6.8724 6.8922 7.2077 7.2401 7.4085 7.4460 7.7728 7.8491 8.2015 8.2263 8.3609 8.3730 8.8972 8.9334 9.5570 9.5981 10.0308 10.0646 11.6284 11.6288 12.7701 12.7895 13.3586 13.3741 k =-0.2565 0.4232 0.4948 ( 2876 PWs) bands (ev): -24.3856 -24.3856 -7.3728 -7.3683 -6.3538 -6.3438 -6.1683 -6.1656 0.1126 0.1379 1.2289 1.2494 4.3685 4.3792 6.3418 6.3474 6.8441 6.8673 7.2277 7.2690 7.4104 7.4465 7.7890 7.8632 8.1412 8.1695 8.3864 8.3965 8.8894 8.9351 9.5094 9.5477 9.9649 9.9994 11.6390 11.6391 12.7800 12.7994 13.4309 13.4450 k =-0.2499 0.4123 0.4821 ( 2872 PWs) bands (ev): -24.3856 -24.3856 -7.3717 -7.3684 -6.3517 -6.3440 -6.1674 -6.1654 0.0934 0.1149 1.2355 1.2529 4.4295 4.4411 6.3245 6.3284 6.8114 6.8364 7.2521 7.3017 7.4080 7.4445 7.8050 7.8774 8.0835 8.1156 8.4147 8.4220 8.8807 8.9360 9.4671 9.5021 9.9021 9.9371 11.6539 11.6545 12.7922 12.8116 13.5039 13.5166 k =-0.2433 0.4015 0.4694 ( 2872 PWs) bands (ev): -24.3856 -24.3856 -7.3705 -7.3683 -6.3493 -6.3439 -6.1665 -6.1651 0.0617 0.0792 1.2590 1.2730 4.4868 4.4995 6.3109 6.3127 6.7760 6.8016 7.2777 7.3367 7.4005 7.4401 7.8201 7.8911 8.0313 8.0669 8.4451 8.4494 8.8700 8.9350 9.4303 9.4616 9.8425 9.8778 11.6734 11.6747 12.8069 12.8262 13.5771 13.5880 k =-0.2367 0.3906 0.4568 ( 2868 PWs) bands (ev): -24.3856 -24.3856 -7.3690 -7.3680 -6.3466 -6.3435 -6.1657 -6.1649 0.0190 0.0328 1.2974 1.3082 4.5397 4.5534 6.3013 6.3018 6.7389 6.7645 7.3006 7.3729 7.3869 7.4345 7.8328 7.9030 7.9876 8.0263 8.4776 8.4785 8.8566 8.9312 9.3991 9.4265 9.7862 9.8215 11.6975 11.6995 12.8241 12.8433 13.6491 13.6578 k =-0.2301 0.3798 0.4441 ( 2862 PWs) bands (ev): -24.3857 -24.3857 -7.3675 -7.3674 -6.3435 -6.3427 -6.1649 -6.1647 -0.0324 -0.0221 1.3483 1.3563 4.5872 4.6022 6.2947 6.2978 6.7009 6.7260 7.3146 7.3665 7.4094 7.4320 7.8399 7.9096 7.9572 7.9985 8.5093 8.5120 8.8399 8.9237 9.3734 9.3971 9.7334 9.7686 11.7260 11.7287 12.8439 12.8630 13.7171 13.7231 k =-0.2236 0.3689 0.4314 ( 2862 PWs) bands (ev): -24.3858 -24.3858 -7.3668 -7.3655 -6.3416 -6.3401 -6.1646 -6.1642 -0.0904 -0.0833 1.4098 1.4154 4.6288 4.6450 6.2937 6.2996 6.6623 6.6867 7.3117 7.3388 7.4393 7.4458 7.8373 7.9063 7.9450 7.9890 8.5415 8.5481 8.8200 8.9122 9.3527 9.3732 9.6843 9.7190 11.7587 11.7622 12.8664 12.8854 13.7755 13.7780 k =-0.2170 0.3581 0.4187 ( 2870 PWs) bands (ev): -24.3860 -24.3860 -7.3659 -7.3636 -6.3401 -6.3364 -6.1645 -6.1635 -0.1533 -0.1488 1.4798 1.4835 4.6639 4.6813 6.2987 6.3073 6.6236 6.6471 7.2901 7.3039 7.4577 7.4816 7.8270 7.8956 7.9496 7.9956 8.5748 8.5856 8.7971 8.8968 9.3362 9.3543 9.6392 9.6730 11.7953 11.7996 12.8916 12.9103 13.8110 13.8127 k =-0.2104 0.3472 0.4060 ( 2876 PWs) bands (ev): -24.3862 -24.3862 -7.3648 -7.3614 -6.3383 -6.3324 -6.1644 -6.1628 -0.2193 -0.2171 1.5570 1.5592 4.6921 4.7106 6.3098 6.3211 6.5849 6.6073 7.2550 7.2627 7.4824 7.5168 7.8158 7.8854 7.9641 8.0103 8.6088 8.6242 8.7718 8.8779 9.3231 9.3397 9.5985 9.6310 11.8354 11.8405 12.9194 12.9379 13.8074 13.8122 k =-0.2038 0.3364 0.3933 ( 2870 PWs) bands (ev): -24.3863 -24.3863 -7.3636 -7.3591 -6.3361 -6.3281 -6.1643 -6.1622 -0.2875 -0.2871 1.6402 1.6412 4.7134 4.7329 6.3269 6.3408 6.5467 6.5677 7.2111 7.2161 7.5098 7.5511 7.8075 7.8791 7.9839 8.0290 8.6426 8.6634 8.7450 8.8561 9.3125 9.3285 9.5627 9.5935 11.8787 11.8845 12.9499 12.9682 13.7651 13.7707 k =-0.1973 0.3255 0.3806 ( 2874 PWs) bands (ev): -24.3866 -24.3866 -7.3622 -7.3567 -6.3336 -6.3236 -6.1643 -6.1616 -0.3580 -0.3567 1.7286 1.7287 4.7278 4.7482 6.3495 6.3654 6.5093 6.5284 7.1613 7.1654 7.5380 7.5842 7.8031 7.8772 8.0072 8.0506 8.6736 8.7024 8.7192 8.8322 9.3035 9.3196 9.5325 9.5608 11.9244 11.9309 12.9831 13.0011 13.6961 13.7017 k =-0.1907 0.3147 0.3679 ( 2874 PWs) bands (ev): -24.3868 -24.3868 -7.3606 -7.3542 -6.3307 -6.3188 -6.1643 -6.1610 -0.4290 -0.4264 1.8209 1.8215 4.7358 4.7567 6.3770 6.3929 6.4741 6.4896 7.1078 7.1118 7.5661 7.6163 7.8022 7.8792 8.0332 8.0745 8.6783 8.7175 8.7403 8.8071 9.2953 9.3121 9.5085 9.5337 11.9718 11.9790 13.0189 13.0366 13.6109 13.6164 k =-0.1841 0.3038 0.3553 ( 2875 PWs) bands (ev): -24.3871 -24.3871 -7.3589 -7.3516 -6.3276 -6.3138 -6.1642 -6.1605 -0.4996 -0.4958 1.9173 1.9183 4.7378 4.7592 6.4079 6.4104 6.4517 6.4531 7.0520 7.0564 7.5938 7.6472 7.8042 7.8846 8.0619 8.1009 8.6524 8.7438 8.7724 8.7854 9.2874 9.3051 9.4918 9.5132 12.0200 12.0277 13.0573 13.0745 13.5139 13.5193 k =-0.1775 0.2930 0.3426 ( 2883 PWs) bands (ev): -24.3873 -24.3873 -7.3570 -7.3490 -6.3242 -6.3086 -6.1641 -6.1599 -0.5694 -0.5647 2.0174 2.0186 4.7346 4.7561 6.3882 6.4122 6.4437 6.4747 6.9951 7.0002 7.6209 7.6770 7.8085 7.8925 8.0931 8.1300 8.6238 8.7544 8.7695 8.8107 9.2793 9.2981 9.4831 9.5003 12.0676 12.0757 13.0982 13.1147 13.4055 13.4105 k =-0.1710 0.2821 0.3299 ( 2883 PWs) bands (ev): -24.3876 -24.3876 -7.3550 -7.3462 -6.3205 -6.3033 -6.1640 -6.1593 -0.6381 -0.6326 2.1208 2.1221 4.7268 4.7484 6.3548 6.3760 6.4782 6.5092 6.9380 6.9440 7.6474 7.7055 7.8147 7.9023 8.1266 8.1617 8.5960 8.7303 8.7909 8.8386 9.2707 9.2905 9.4834 9.4960 12.1130 12.1215 13.1414 13.1562 13.2855 13.2890 k =-0.1644 0.2713 0.3172 ( 2879 PWs) bands (ev): -24.3879 -24.3879 -7.3529 -7.3435 -6.3165 -6.2980 -6.1638 -6.1586 -0.7054 -0.6992 2.2273 2.2285 4.7153 4.7367 6.3205 6.3400 6.5131 6.5447 6.8815 6.8887 7.6732 7.7329 7.8222 7.9135 8.1620 8.1957 8.5703 8.7084 8.8068 8.8609 9.2613 9.2819 9.4933 9.5016 12.1545 12.1631 13.1432 13.1538 13.1879 13.2097 k =-0.1578 0.2604 0.3045 ( 2881 PWs) bands (ev): -24.3883 -24.3883 -7.3507 -7.3407 -6.3124 -6.2925 -6.1635 -6.1579 -0.7711 -0.7644 2.3364 2.3376 4.7007 4.7218 6.2867 6.3048 6.5462 6.5779 6.8266 6.8354 7.6983 7.7591 7.8306 7.9254 8.1980 8.2307 8.5487 8.6902 8.8168 8.8766 9.2510 9.2721 9.5130 9.5174 12.1899 12.1982 13.0029 13.0097 13.2351 13.2530 k =-0.1512 0.2496 0.2918 ( 2881 PWs) bands (ev): -24.3886 -24.3886 -7.3484 -7.3379 -6.3081 -6.2871 -6.1631 -6.1571 -0.8351 -0.8279 2.4481 2.4490 4.6838 4.7044 6.2536 6.2705 6.5750 6.6055 6.7750 6.7866 7.7225 7.7841 7.8397 7.9377 8.2325 8.2634 8.5347 8.6783 8.8210 8.8855 9.2395 9.2608 9.5420 9.5434 12.2168 12.2245 12.8525 12.8586 13.2847 13.3018 k =-0.1447 0.2387 0.2791 ( 2885 PWs) bands (ev): -24.3889 -24.3889 -7.3461 -7.3352 -6.3037 -6.2817 -6.1625 -6.1562 -0.8972 -0.8896 2.5619 2.5625 4.6652 4.6852 6.2214 6.2373 6.5950 6.6205 6.7306 6.7485 7.7461 7.8080 7.8493 7.9500 8.2624 8.2881 8.5343 8.6760 8.8201 8.8883 9.2270 9.2479 9.5788 9.5796 12.2331 12.2399 12.6988 12.7049 13.3360 13.3526 k =-0.1381 0.2279 0.2664 ( 2875 PWs) bands (ev): -24.3893 -24.3893 -7.3437 -7.3325 -6.2992 -6.2765 -6.1617 -6.1552 -0.9572 -0.9493 2.6778 2.6780 4.6456 4.6649 6.1902 6.2051 6.5950 6.6109 6.7039 6.7324 7.7688 7.8306 7.8592 7.9622 8.2836 8.2984 8.5538 8.6874 8.8149 8.8858 9.2136 9.2335 9.6225 9.6246 12.2375 12.2430 12.5453 12.5515 13.3886 13.4048 k =-0.1315 0.2170 0.2538 ( 2875 PWs) bands (ev): -24.3896 -24.3896 -7.3413 -7.3298 -6.2947 -6.2714 -6.1606 -6.1540 -1.0150 -1.0070 2.7951 2.7953 4.6253 4.6438 6.1601 6.1741 6.5680 6.5779 6.7017 6.7369 7.7907 7.8520 7.8694 7.9740 8.2926 8.2929 8.5936 8.7151 8.8065 8.8792 9.2001 9.2180 9.6729 9.6757 12.2290 12.2333 12.3943 12.4010 13.4421 13.4576 k =-0.1249 0.2062 0.2411 ( 2879 PWs) bands (ev): -24.3900 -24.3900 -7.3389 -7.3273 -6.2901 -6.2666 -6.1593 -6.1527 -1.0706 -1.0624 2.9135 2.9143 4.6050 4.6227 6.1311 6.1443 6.5270 6.5354 6.7106 6.7476 7.8118 7.8721 7.8797 7.9854 8.2761 8.2890 8.6478 8.7586 8.7957 8.8697 9.1877 9.2020 9.7287 9.7318 12.2050 12.2097 12.2497 12.2587 13.4963 13.5110 k =-0.1184 0.1953 0.2284 ( 2879 PWs) bands (ev): -24.3903 -24.3903 -7.3364 -7.3248 -6.2857 -6.2621 -6.1577 -6.1512 -1.1238 -1.1156 3.0330 3.0344 4.5852 4.6019 6.1034 6.1157 6.4823 6.4906 6.7201 6.7571 7.8320 7.8900 7.8910 7.9962 8.2526 8.2748 8.7091 8.7834 8.8134 8.8587 9.1788 9.1873 9.7886 9.7916 12.1030 12.1063 12.1832 12.1862 13.5521 13.5660 k =-0.1118 0.1845 0.2157 ( 2875 PWs) bands (ev): -24.3907 -24.3907 -7.3340 -7.3225 -6.2813 -6.2580 -6.1558 -6.1495 -1.1746 -1.1664 3.1531 3.1551 4.5663 4.5821 6.0769 6.0884 6.4372 6.4459 6.7267 6.7631 7.8513 7.9009 7.9082 8.0064 8.2255 8.2524 8.7658 8.7742 8.8423 8.8776 9.1777 9.1778 9.8516 9.8544 11.9684 11.9734 12.1425 12.1458 13.6101 13.6234 k =-0.1052 0.1736 0.2030 ( 2883 PWs) bands (ev): -24.3910 -24.3910 -7.3317 -7.3202 -6.2771 -6.2543 -6.1536 -6.1476 -1.2228 -1.2148 3.2734 3.2761 4.5489 4.5636 6.0517 6.0624 6.3930 6.4021 6.7291 6.7645 7.8698 7.9117 7.9238 8.0158 8.1966 8.2242 8.7556 8.8222 8.8296 8.9311 9.1821 9.1917 9.9166 9.9191 11.8406 11.8461 12.0956 12.1003 13.6695 13.6823 k =-0.0986 0.1628 0.1903 ( 2879 PWs) bands (ev): -24.3914 -24.3914 -7.3293 -7.3181 -6.2731 -6.2510 -6.1511 -6.1456 -1.2685 -1.2606 3.3931 3.3965 4.5337 4.5473 6.0279 6.0378 6.3501 6.3598 6.7268 6.7608 7.8873 7.9227 7.9375 8.0241 8.1673 8.1919 8.7416 8.8154 8.8553 8.9636 9.2144 9.2287 9.9830 9.9851 11.7205 11.7264 12.0436 12.0497 13.7289 13.7409 k =-0.0921 0.1519 0.1776 ( 2877 PWs) bands (ev): -24.3917 -24.3917 -7.3271 -7.3162 -6.2693 -6.2482 -6.1483 -6.1433 -1.3115 -1.3039 3.5114 3.5157 4.5214 4.5339 6.0054 6.0146 6.3088 6.3190 6.7196 6.7519 7.9038 7.9338 7.9486 8.0310 8.1393 8.1567 8.7275 8.8010 8.8672 8.9683 9.2794 9.2910 10.0499 10.0516 11.6089 11.6150 11.9875 11.9949 13.7871 13.7982 k =-0.0855 0.1411 0.1649 ( 2877 PWs) bands (ev): -24.3920 -24.3920 -7.3249 -7.3144 -6.2658 -6.2458 -6.1453 -6.1409 -1.3518 -1.3445 3.6271 3.6322 4.5133 4.5246 5.9843 5.9929 6.2690 6.2798 6.7073 6.7376 7.9191 7.9450 7.9556 8.0354 8.1152 8.1196 8.7137 8.7867 8.8624 8.9545 9.3665 9.3736 10.1167 10.1180 11.5059 11.5122 11.9280 11.9365 13.8433 13.8534 k =-0.0789 0.1302 0.1523 ( 2881 PWs) bands (ev): -24.3923 -24.3923 -7.3227 -7.3128 -6.2625 -6.2438 -6.1421 -6.1383 -1.3894 -1.3824 3.7383 3.7444 4.5109 4.5209 5.9647 5.9726 6.2307 6.2422 6.6898 6.7178 7.9331 7.9556 7.9564 8.0368 8.0817 8.0988 8.7003 8.7726 8.8476 8.9317 9.4658 9.4696 10.1827 10.1835 11.4119 11.4184 11.8656 11.8751 13.8966 13.9056 k =-0.0723 0.1194 0.1396 ( 2885 PWs) bands (ev): -24.3926 -24.3926 -7.3207 -7.3113 -6.2595 -6.2423 -6.1388 -6.1357 -1.4241 -1.4175 3.8424 3.8495 4.5166 4.5253 5.9466 5.9538 6.1939 6.2061 6.6672 6.6927 7.9446 7.9464 7.9674 8.0366 8.0450 8.0918 8.6874 8.7590 8.8276 8.9048 9.5721 9.5742 10.2472 10.2476 11.3268 11.3334 11.8007 11.8109 13.9462 13.9540 k =-0.0658 0.1085 0.1269 ( 2885 PWs) bands (ev): -24.3929 -24.3929 -7.3188 -7.3100 -6.2568 -6.2411 -6.1354 -6.1330 -1.4559 -1.4497 3.9358 3.9438 4.5335 4.5410 5.9300 5.9365 6.1582 6.1712 6.6397 6.6625 7.9272 7.9503 7.9783 8.0140 8.0382 8.0913 8.6750 8.7457 8.8056 8.8761 9.6826 9.6841 10.3096 10.3096 11.2506 11.2573 11.7333 11.7441 13.9909 13.9976 k =-0.0592 0.0977 0.1142 ( 2891 PWs) bands (ev): -24.3931 -24.3931 -7.3170 -7.3088 -6.2543 -6.2402 -6.1322 -6.1303 -1.4849 -1.4792 4.0144 4.0231 4.5652 4.5718 5.9149 5.9208 6.1234 6.1372 6.6077 6.6276 7.9024 7.9386 7.9887 8.0010 8.0419 8.0935 8.6634 8.7330 8.7837 8.8470 9.7955 9.7973 10.3688 10.3692 11.1831 11.1899 11.6635 11.6746 14.0297 14.0352 k =-0.0526 0.0868 0.1015 ( 2891 PWs) bands (ev): -24.3934 -24.3933 -7.3152 -7.3079 -6.2521 -6.2396 -6.1290 -6.1277 -1.5108 -1.5056 4.0751 4.0839 4.6144 4.6204 5.9013 5.9067 6.0890 6.1037 6.5719 6.5887 7.8756 7.9106 7.9991 8.0050 8.0465 8.0965 8.6525 8.7208 8.7631 8.8187 9.9097 9.9122 10.4244 10.4253 11.1240 11.1310 11.5913 11.6025 14.0616 14.0659 k =-0.0460 0.0760 0.0888 ( 2895 PWs) bands (ev): -24.3936 -24.3936 -7.3137 -7.3071 -6.2501 -6.2392 -6.1261 -6.1252 -1.5338 -1.5292 4.1178 4.1261 4.6802 4.6862 5.8894 5.8941 6.0546 6.0701 6.5334 6.5470 7.8491 7.8794 8.0098 8.0137 8.0510 8.0991 8.6425 8.7089 8.7448 8.7920 10.0238 10.0276 10.4758 10.4772 11.0729 11.0801 11.5168 11.5277 14.0860 14.0892 k =-0.0395 0.0651 0.0761 ( 2897 PWs) bands (ev): -24.3937 -24.3937 -7.3122 -7.3065 -6.2483 -6.2390 -6.1235 -6.1229 -1.5537 -1.5497 4.1455 4.1530 4.7581 4.7645 5.8789 5.8831 6.0195 6.0356 6.4938 6.5042 7.8245 7.8496 8.0202 8.0234 8.0550 8.1009 8.6339 8.6972 8.7294 8.7677 10.1369 10.1422 10.5223 10.5242 11.0296 11.0371 11.4400 11.4503 14.1029 14.1050 k =-0.0329 0.0543 0.0634 ( 2897 PWs) bands (ev): -24.3939 -24.3939 -7.3109 -7.3060 -6.2468 -6.2391 -6.1211 -6.1208 -1.5706 -1.5671 4.1626 4.1690 4.8422 4.8490 5.8701 5.8738 5.9835 5.9999 6.4551 6.4626 7.8028 7.8229 8.0292 8.0339 8.0582 8.1014 8.6270 8.6854 8.7169 8.7465 10.2476 10.2547 10.5633 10.5659 10.9936 11.0015 11.3615 11.3707 14.1128 14.1142 k =-0.0263 0.0434 0.0508 ( 2893 PWs) bands (ev): -24.3940 -24.3940 -7.3097 -7.3058 -6.2454 -6.2393 -6.1192 -6.1190 -1.5843 -1.5816 4.1730 4.1781 4.9264 4.9333 5.8628 5.8660 5.9469 5.9629 6.4195 6.4244 7.7847 7.8002 8.0370 8.0447 8.0604 8.1006 8.6222 8.6734 8.7074 8.7291 10.3541 10.3632 10.5984 10.6019 10.9644 10.9730 11.2820 11.2896 14.1172 14.1179 k =-0.0197 0.0326 0.0381 ( 2897 PWs) bands (ev): -24.3941 -24.3941 -7.3086 -7.3057 -6.2442 -6.2396 -6.1176 -6.1175 -1.5950 -1.5929 4.1791 4.1830 5.0043 5.0109 5.8570 5.8597 5.9112 5.9257 6.3894 6.3923 7.7705 7.7818 8.0437 8.0551 8.0615 8.0983 8.6198 8.6611 8.7007 8.7156 10.4531 10.4643 10.6279 10.6323 10.9416 10.9511 11.2034 11.2088 14.1179 14.1182 k =-0.0132 0.0217 0.0254 ( 2899 PWs) bands (ev): -24.3942 -24.3942 -7.3078 -7.3058 -6.2431 -6.2400 -6.1165 -6.1165 -1.6025 -1.6011 4.1827 4.1853 5.0693 5.0747 5.8523 5.8546 5.8804 5.8920 6.3666 6.3681 7.7607 7.7680 8.0494 8.0609 8.0654 8.0944 8.6203 8.6492 8.6967 8.7060 10.5382 10.5504 10.6541 10.6590 10.9249 10.9352 11.1302 11.1328 14.1168 14.1169 k =-0.0066 0.0109 0.0127 ( 2895 PWs) bands (ev): -24.3942 -24.3942 -7.3070 -7.3060 -6.2421 -6.2406 -6.1158 -6.1158 -1.6068 -1.6061 4.1848 4.1861 5.1140 5.1171 5.8479 5.8487 5.8620 5.8680 6.3525 6.3531 7.7554 7.7590 8.0540 8.0599 8.0742 8.0890 8.6237 8.6386 8.6953 8.6997 10.5961 10.6043 10.6826 10.6851 10.9148 10.9234 11.0722 11.0723 14.1154 14.1154 k = 0.0000 0.0000 0.0000 ( 2919 PWs) bands (ev): -24.3942 -24.3942 -7.3065 -7.3065 -6.2413 -6.2413 -6.1156 -6.1156 -1.6081 -1.6081 4.1859 4.1859 5.1311 5.1311 5.8444 5.8444 5.8591 5.8591 6.3478 6.3478 7.7548 7.7548 8.0574 8.0574 8.0821 8.0821 8.6297 8.6297 8.6961 8.6961 10.6172 10.6172 10.6999 10.6999 10.9147 10.9147 11.0480 11.0480 14.1148 14.1148 k = 0.0000 0.0000 0.0000 ( 2919 PWs) bands (ev): -24.3942 -24.3942 -7.3065 -7.3065 -6.2413 -6.2413 -6.1156 -6.1156 -1.6081 -1.6081 4.1859 4.1859 5.1311 5.1311 5.8444 5.8444 5.8591 5.8591 6.3478 6.3478 7.7548 7.7548 8.0574 8.0574 8.0821 8.0821 8.6297 8.6297 8.6961 8.6961 10.6172 10.6172 10.6999 10.6999 10.9147 10.9147 11.0480 11.0480 14.1148 14.1148 k = 0.0152 0.0092-0.0000 ( 2895 PWs) bands (ev): -24.3942 -24.3942 -7.3065 -7.3065 -6.2415 -6.2415 -6.1156 -6.1156 -1.6067 -1.6067 4.1791 4.1791 5.1301 5.1301 5.8450 5.8450 5.8597 5.8597 6.3543 6.3543 7.7566 7.7566 8.0577 8.0577 8.0840 8.0840 8.6284 8.6284 8.6947 8.6947 10.6198 10.6198 10.7025 10.7025 10.9128 10.9128 11.0494 11.0494 14.1152 14.1152 k = 0.0303 0.0184-0.0000 ( 2903 PWs) bands (ev): -24.3942 -24.3942 -7.3068 -7.3068 -6.2421 -6.2421 -6.1156 -6.1156 -1.6026 -1.6026 4.1591 4.1591 5.1272 5.1272 5.8468 5.8468 5.8615 5.8615 6.3732 6.3732 7.7617 7.7617 8.0580 8.0580 8.0893 8.0893 8.6239 8.6239 8.6902 8.6902 10.6274 10.6274 10.7102 10.7102 10.9073 10.9073 11.0534 11.0534 14.1164 14.1164 k = 0.0455 0.0275-0.0000 ( 2903 PWs) bands (ev): -24.3942 -24.3942 -7.3072 -7.3072 -6.2430 -6.2430 -6.1157 -6.1157 -1.5958 -1.5958 4.1268 4.1268 5.1223 5.1223 5.8496 5.8496 5.8645 5.8645 6.4037 6.4037 7.7702 7.7702 8.0586 8.0586 8.0985 8.0985 8.6167 8.6167 8.6830 8.6830 10.6401 10.6401 10.7231 10.7231 10.8983 10.8983 11.0601 11.0601 14.1184 14.1184 k = 0.0606 0.0367-0.0000 ( 2895 PWs) bands (ev): -24.3942 -24.3942 -7.3078 -7.3078 -6.2443 -6.2443 -6.1158 -6.1158 -1.5864 -1.5864 4.0833 4.0833 5.1157 5.1157 5.8537 5.8537 5.8687 5.8687 6.4439 6.4439 7.7820 7.7820 8.0597 8.0597 8.1117 8.1117 8.6068 8.6068 8.6730 8.6730 10.6574 10.6574 10.7409 10.7409 10.8863 10.8863 11.0696 11.0696 14.1212 14.1212 k = 0.0758 0.0459-0.0000 ( 2895 PWs) bands (ev): -24.3942 -24.3942 -7.3086 -7.3086 -6.2460 -6.2460 -6.1159 -6.1159 -1.5744 -1.5744 4.0303 4.0303 5.1073 5.1073 5.8588 5.8588 5.8740 5.8740 6.4920 6.4920 7.7967 7.7967 8.0609 8.0609 8.1293 8.1293 8.5945 8.5945 8.6605 8.6605 10.6789 10.6789 10.7633 10.7633 10.8717 10.8717 11.0819 11.0819 14.1248 14.1248 k = 0.0909 0.0551-0.0000 ( 2903 PWs) bands (ev): -24.3942 -24.3942 -7.3095 -7.3095 -6.2480 -6.2480 -6.1161 -6.1161 -1.5598 -1.5598 3.9692 3.9692 5.0974 5.0974 5.8649 5.8649 5.8804 5.8804 6.5458 6.5458 7.8143 7.8143 8.0626 8.0626 8.1517 8.1517 8.5800 8.5800 8.6456 8.6456 10.7037 10.7037 10.7902 10.7902 10.8556 10.8556 11.0970 11.0970 14.1291 14.1291 k = 0.1061 0.0643-0.0000 ( 2903 PWs) bands (ev): -24.3942 -24.3942 -7.3106 -7.3106 -6.2503 -6.2503 -6.1163 -6.1163 -1.5428 -1.5428 3.9017 3.9017 5.0860 5.0860 5.8722 5.8722 5.8879 5.8879 6.6030 6.6030 7.8342 7.8342 8.0647 8.0647 8.1798 8.1798 8.5638 8.5638 8.6287 8.6287 10.7298 10.7298 10.8212 10.8212 10.8403 10.8403 11.1150 11.1150 14.1341 14.1341 k = 0.1212 0.0735-0.0000 ( 2903 PWs) bands (ev): -24.3941 -24.3941 -7.3118 -7.3118 -6.2529 -6.2529 -6.1165 -6.1165 -1.5235 -1.5235 3.8291 3.8291 5.0733 5.0733 5.8804 5.8804 5.8964 5.8964 6.6616 6.6616 7.8563 7.8563 8.0673 8.0673 8.2136 8.2136 8.5463 8.5463 8.6100 8.6100 10.7509 10.7509 10.8323 10.8323 10.8560 10.8560 11.1360 11.1360 14.1399 14.1399 k = 0.1364 0.0826-0.0000 ( 2891 PWs) bands (ev): -24.3941 -24.3941 -7.3132 -7.3132 -6.2557 -6.2557 -6.1167 -6.1167 -1.5019 -1.5019 3.7526 3.7526 5.0595 5.0595 5.8895 5.8895 5.9059 5.9059 6.7196 6.7196 7.8800 7.8800 8.0707 8.0707 8.2536 8.2536 8.5283 8.5283 8.5897 8.5897 10.7542 10.7542 10.8446 10.8446 10.8943 10.8943 11.1600 11.1600 14.1463 14.1463 k = 0.1515 0.0918-0.0000 ( 2895 PWs) bands (ev): -24.3941 -24.3941 -7.3146 -7.3146 -6.2588 -6.2588 -6.1169 -6.1169 -1.4782 -1.4782 3.6733 3.6733 5.0448 5.0448 5.8995 5.8995 5.9163 5.9163 6.7751 6.7751 7.9046 7.9046 8.0750 8.0750 8.2987 8.2987 8.5114 8.5114 8.5681 8.5681 10.7409 10.7409 10.8764 10.8764 10.9357 10.9357 11.1872 11.1872 14.1534 14.1534 k = 0.1667 0.1010-0.0000 ( 2895 PWs) bands (ev): -24.3941 -24.3941 -7.3162 -7.3162 -6.2621 -6.2621 -6.1172 -6.1172 -1.4526 -1.4526 3.5921 3.5921 5.0293 5.0293 5.9103 5.9103 5.9276 5.9276 6.8268 6.8268 7.9295 7.9295 8.0808 8.0808 8.3454 8.3454 8.4999 8.4999 8.5455 8.5455 10.7216 10.7216 10.9171 10.9171 10.9798 10.9798 11.2176 11.2176 14.1610 14.1610 k = 0.1818 0.1102-0.0000 ( 2895 PWs) bands (ev): -24.3940 -24.3940 -7.3179 -7.3179 -6.2655 -6.2655 -6.1175 -6.1175 -1.4252 -1.4252 3.5098 3.5098 5.0133 5.0133 5.9218 5.9218 5.9395 5.9395 6.8737 6.8737 7.9537 7.9537 8.0886 8.0886 8.3809 8.3809 8.5068 8.5068 8.5221 8.5221 10.7011 10.7011 10.9624 10.9624 11.0263 11.0263 11.2514 11.2514 14.1687 14.1687 k = 0.1970 0.1194-0.0000 ( 2895 PWs) bands (ev): -24.3940 -24.3940 -7.3196 -7.3196 -6.2690 -6.2690 -6.1178 -6.1178 -1.3962 -1.3962 3.4271 3.4271 4.9968 4.9968 5.9340 5.9340 5.9522 5.9522 6.9150 6.9150 7.9758 7.9758 8.0994 8.0994 8.3882 8.3882 8.4981 8.4981 8.5493 8.5493 10.6813 10.6813 11.0106 11.0106 11.0747 11.0747 11.2886 11.2886 14.1214 14.1214 k = 0.2121 0.1285-0.0000 ( 2887 PWs) bands (ev): -24.3940 -24.3940 -7.3214 -7.3214 -6.2727 -6.2727 -6.1181 -6.1181 -1.3658 -1.3658 3.3446 3.3446 4.9801 4.9801 5.9468 5.9468 5.9654 5.9654 6.9505 6.9505 7.9947 7.9947 8.1140 8.1140 8.3758 8.3758 8.4740 8.4740 8.6183 8.6183 10.6636 10.6636 11.0610 11.0610 11.1246 11.1246 11.3293 11.3293 14.0537 14.0537 k = 0.2273 0.1377-0.0000 ( 2875 PWs) bands (ev): -24.3939 -24.3939 -7.3233 -7.3233 -6.2763 -6.2763 -6.1184 -6.1184 -1.3341 -1.3341 3.2629 3.2629 4.9634 4.9634 5.9600 5.9600 5.9792 5.9792 6.9801 6.9801 8.0096 8.0096 8.1330 8.1330 8.3564 8.3564 8.4499 8.4499 8.7004 8.7004 10.6489 10.6489 11.1128 11.1128 11.1757 11.1757 11.3737 11.3737 13.9891 13.9891 k = 0.2424 0.1469-0.0000 ( 2876 PWs) bands (ev): -24.3939 -24.3939 -7.3251 -7.3251 -6.2800 -6.2800 -6.1187 -6.1187 -1.3015 -1.3015 3.1823 3.1823 4.9468 4.9468 5.9735 5.9735 5.9932 5.9932 7.0041 7.0041 8.0205 8.0205 8.1557 8.1557 8.3342 8.3342 8.4259 8.4259 8.7900 8.7900 10.6383 10.6383 11.1655 11.1655 11.2274 11.2274 11.4218 11.4218 13.9281 13.9281 k = 0.2576 0.1561-0.0000 ( 2876 PWs) bands (ev): -24.3938 -24.3938 -7.3270 -7.3270 -6.2837 -6.2837 -6.1190 -6.1190 -1.2682 -1.2682 3.1034 3.1034 4.9303 4.9303 5.9873 5.9873 6.0075 6.0075 7.0231 7.0231 8.0285 8.0285 8.1809 8.1809 8.3111 8.3111 8.4024 8.4024 8.8841 8.8841 10.6329 10.6329 11.2187 11.2187 11.2794 11.2794 11.4737 11.4737 13.8712 13.8712 k = 0.2727 0.1653-0.0000 ( 2876 PWs) bands (ev): -24.3938 -24.3938 -7.3289 -7.3289 -6.2874 -6.2874 -6.1193 -6.1193 -1.2344 -1.2344 3.0265 3.0265 4.9143 4.9143 6.0012 6.0012 6.0220 6.0220 7.0376 7.0376 8.0342 8.0342 8.2073 8.2073 8.2879 8.2879 8.3798 8.3798 8.9800 8.9800 10.6338 10.6338 11.2719 11.2719 11.3312 11.3312 11.5293 11.5293 13.8187 13.8187 k = 0.2879 0.1745-0.0000 ( 2876 PWs) bands (ev): -24.3938 -24.3938 -7.3308 -7.3308 -6.2909 -6.2909 -6.1196 -6.1196 -1.2005 -1.2005 2.9521 2.9521 4.8987 4.8987 6.0151 6.0151 6.0364 6.0364 7.0481 7.0481 8.0384 8.0384 8.2337 8.2337 8.2648 8.2648 8.3584 8.3584 9.0756 9.0756 10.6424 10.6424 11.3245 11.3245 11.3823 11.3823 11.5889 11.5889 13.7710 13.7710 k = 0.3030 0.1836-0.0000 ( 2876 PWs) bands (ev): -24.3937 -24.3937 -7.3326 -7.3326 -6.2944 -6.2944 -6.1199 -6.1199 -1.1666 -1.1666 2.8805 2.8805 4.8838 4.8838 6.0288 6.0288 6.0507 6.0507 7.0554 7.0554 8.0415 8.0415 8.2423 8.2423 8.2583 8.2583 8.3395 8.3395 9.1684 9.1684 10.6598 10.6598 11.3760 11.3760 11.4322 11.4322 11.6523 11.6523 13.7284 13.7284 k = 0.3182 0.1928 0.0000 ( 2868 PWs) bands (ev): -24.3937 -24.3937 -7.3344 -7.3344 -6.2977 -6.2977 -6.1202 -6.1202 -1.1333 -1.1333 2.8121 2.8121 4.8695 4.8695 6.0424 6.0424 6.0647 6.0647 7.0601 7.0601 8.0438 8.0438 8.2206 8.2206 8.2764 8.2764 8.3275 8.3275 9.2562 9.2562 10.6876 10.6876 11.4260 11.4260 11.4804 11.4804 11.7195 11.7195 13.6911 13.6911 k = 0.3333 0.2020-0.0000 ( 2856 PWs) bands (ev): -24.3937 -24.3937 -7.3360 -7.3360 -6.3009 -6.3009 -6.1204 -6.1204 -1.1007 -1.1007 2.7473 2.7473 4.8561 4.8561 6.0555 6.0555 6.0784 6.0784 7.0625 7.0625 8.0454 8.0454 8.2000 8.2000 8.2775 8.2775 8.3326 8.3326 9.3369 9.3369 10.7264 10.7264 11.4739 11.4739 11.5265 11.5265 11.7905 11.7905 13.6592 13.6592 k = 0.3485 0.2112-0.0000 ( 2848 PWs) bands (ev): -24.3936 -24.3936 -7.3376 -7.3376 -6.3038 -6.3038 -6.1207 -6.1207 -1.0692 -1.0692 2.6864 2.6864 4.8436 4.8436 6.0681 6.0681 6.0915 6.0915 7.0632 7.0632 8.0465 8.0465 8.1805 8.1805 8.2658 8.2658 8.3505 8.3505 9.4088 9.4088 10.7768 10.7768 11.5193 11.5193 11.5699 11.5699 11.8651 11.8651 13.6329 13.6329 k = 0.3636 0.2204-0.0000 ( 2848 PWs) bands (ev): -24.3936 -24.3936 -7.3392 -7.3392 -6.3066 -6.3066 -6.1209 -6.1209 -1.0393 -1.0393 2.6298 2.6298 4.8320 4.8320 6.0800 6.0800 6.1038 6.1038 7.0626 7.0626 8.0471 8.0471 8.1623 8.1623 8.2515 8.2515 8.3707 8.3707 9.4709 9.4709 10.8385 10.8385 11.5616 11.5616 11.6102 11.6102 11.9431 11.9431 13.6120 13.6120 k = 0.3788 0.2295-0.0000 ( 2852 PWs) bands (ev): -24.3936 -24.3936 -7.3405 -7.3405 -6.3091 -6.3091 -6.1212 -6.1212 -1.0112 -1.0112 2.5779 2.5779 4.8215 4.8215 6.0910 6.0910 6.1153 6.1153 7.0610 7.0610 8.0473 8.0473 8.1455 8.1455 8.2376 8.2376 8.3903 8.3903 9.5229 9.5229 10.9101 10.9101 11.6005 11.6005 11.6471 11.6471 12.0240 12.0240 13.5964 13.5964 k = 0.3939 0.2387-0.0000 ( 2856 PWs) bands (ev): -24.3936 -24.3936 -7.3418 -7.3418 -6.3114 -6.3114 -6.1214 -6.1214 -0.9853 -0.9853 2.5311 2.5311 4.8121 4.8121 6.1012 6.1012 6.1258 6.1258 7.0589 7.0589 8.0472 8.0472 8.1303 8.1303 8.2249 8.2249 8.4082 8.4082 9.5652 9.5652 10.9892 10.9892 11.6354 11.6354 11.6801 11.6801 12.1074 12.1074 13.5857 13.5857 k = 0.4091 0.2479-0.0000 ( 2848 PWs) bands (ev): -24.3935 -24.3935 -7.3429 -7.3429 -6.3133 -6.3133 -6.1215 -6.1215 -0.9620 -0.9620 2.4896 2.4896 4.8038 4.8038 6.1103 6.1103 6.1352 6.1352 7.0565 7.0565 8.0467 8.0467 8.1170 8.1170 8.2138 8.2138 8.4242 8.4242 9.5987 9.5987 11.0726 11.0726 11.6662 11.6662 11.7090 11.7090 12.1923 12.1923 13.5792 13.5792 k = 0.4242 0.2571-0.0000 ( 2848 PWs) bands (ev): -24.3935 -24.3935 -7.3439 -7.3439 -6.3151 -6.3151 -6.1217 -6.1217 -0.9416 -0.9416 2.4539 2.4539 4.7967 4.7967 6.1182 6.1182 6.1434 6.1434 7.0541 7.0541 8.0461 8.0461 8.1055 8.1055 8.2043 8.2043 8.4380 8.4380 9.6246 9.6246 11.1561 11.1561 11.6925 11.6925 11.7336 11.7336 12.2775 12.2775 13.5763 13.5763 k = 0.4394 0.2663-0.0000 ( 2848 PWs) bands (ev): -24.3935 -24.3935 -7.3447 -7.3447 -6.3165 -6.3165 -6.1218 -6.1218 -0.9244 -0.9244 2.4242 2.4242 4.7909 4.7909 6.1248 6.1248 6.1503 6.1503 7.0519 7.0519 8.0454 8.0454 8.0959 8.0959 8.1966 8.1966 8.4494 8.4494 9.6440 9.6440 11.2352 11.2352 11.7142 11.7142 11.7538 11.7538 12.3607 12.3607 13.5759 13.5759 k = 0.4545 0.2755-0.0000 ( 2848 PWs) bands (ev): -24.3935 -24.3935 -7.3453 -7.3453 -6.3176 -6.3176 -6.1219 -6.1219 -0.9107 -0.9107 2.4008 2.4008 4.7863 4.7863 6.1300 6.1300 6.1557 6.1557 7.0500 7.0500 8.0446 8.0446 8.0883 8.0883 8.1907 8.1907 8.4584 8.4584 9.6580 9.6580 11.3047 11.3047 11.7312 11.7312 11.7695 11.7695 12.4385 12.4385 13.5258 13.5258 k = 0.4697 0.2846-0.0000 ( 2848 PWs) bands (ev): -24.3935 -24.3935 -7.3457 -7.3457 -6.3184 -6.3184 -6.1220 -6.1220 -0.9008 -0.9008 2.3839 2.3839 4.7831 4.7831 6.1338 6.1338 6.1597 6.1597 7.0486 7.0486 8.0440 8.0440 8.0829 8.0829 8.1865 8.1865 8.4648 8.4648 9.6674 9.6674 11.3593 11.3593 11.7433 11.7433 11.7808 11.7808 12.5050 12.5050 13.4411 13.4411 k = 0.4848 0.2938-0.0000 ( 2844 PWs) bands (ev): -24.3935 -24.3935 -7.3460 -7.3460 -6.3189 -6.3189 -6.1220 -6.1220 -0.8948 -0.8948 2.3737 2.3737 4.7811 4.7811 6.1361 6.1361 6.1621 6.1621 7.0478 7.0478 8.0436 8.0436 8.0796 8.0796 8.1840 8.1840 8.4687 8.4687 9.6728 9.6728 11.3943 11.3943 11.7505 11.7505 11.7875 11.7875 12.5516 12.5516 13.3834 13.3834 k = 0.5000 0.3030-0.0000 ( 2844 PWs) bands (ev): -24.3935 -24.3935 -7.3461 -7.3461 -6.3190 -6.3190 -6.1221 -6.1221 -0.8928 -0.8928 2.3703 2.3703 4.7804 4.7804 6.1369 6.1369 6.1629 6.1629 7.0475 7.0475 8.0435 8.0435 8.0785 8.0785 8.1832 8.1832 8.4700 8.4700 9.6746 9.6746 11.4065 11.4065 11.7530 11.7530 11.7897 11.7897 12.5687 12.5687 13.3627 13.3627 k = 0.5000 0.3030-0.0000 ( 2844 PWs) bands (ev): -24.3935 -24.3935 -7.3461 -7.3461 -6.3190 -6.3190 -6.1221 -6.1221 -0.8928 -0.8928 2.3703 2.3703 4.7804 4.7804 6.1369 6.1369 6.1629 6.1629 7.0475 7.0475 8.0435 8.0435 8.0785 8.0785 8.1832 8.1832 8.4700 8.4700 9.6746 9.6746 11.4065 11.4065 11.7530 11.7530 11.7897 11.7897 12.5687 12.5687 13.3627 13.3627 k = 0.4934 0.3139 0.0127 ( 2844 PWs) bands (ev): -24.3935 -24.3935 -7.3468 -7.3455 -6.3200 -6.3180 -6.1223 -6.1223 -0.8926 -0.8908 2.3711 2.3722 4.7724 4.7736 6.1372 6.1395 6.1629 6.1655 7.0448 7.0527 8.0384 8.0402 8.0770 8.0819 8.1742 8.1872 8.4701 8.4789 9.6812 9.6814 11.4058 11.4062 11.7390 11.7409 11.7817 11.7836 12.5891 12.5893 13.3601 13.3608 k = 0.4868 0.3247 0.0254 ( 2840 PWs) bands (ev): -24.3934 -24.3934 -7.3475 -7.3450 -6.3210 -6.3170 -6.1229 -6.1229 -0.8904 -0.8868 2.3746 2.3768 4.7498 4.7521 6.1403 6.1449 6.1658 6.1710 7.0447 7.0604 8.0268 8.0295 8.0799 8.0821 8.1610 8.1871 8.4791 8.4949 9.7014 9.7017 11.4041 11.4045 11.6875 11.6898 11.7790 11.7811 12.6442 12.6447 13.3529 13.3541 k = 0.4802 0.3356 0.0381 ( 2840 PWs) bands (ev): -24.3934 -24.3934 -7.3483 -7.3445 -6.3219 -6.3160 -6.1239 -6.1238 -0.8861 -0.8808 2.3808 2.3841 4.7134 4.7166 6.1458 6.1525 6.1719 6.1794 7.0470 7.0703 8.0073 8.0181 8.0761 8.0850 8.1451 8.1854 8.4950 8.5153 9.7348 9.7354 11.4000 11.4001 11.6080 11.6111 11.7837 11.7857 12.7214 12.7222 13.3404 13.3421 k = 0.4737 0.3465 0.0508 ( 2840 PWs) bands (ev): -24.3933 -24.3933 -7.3491 -7.3441 -6.3229 -6.3150 -6.1253 -6.1252 -0.8797 -0.8727 2.3895 2.3939 4.6644 4.6683 6.1531 6.1615 6.1817 6.1906 7.0516 7.0822 7.9840 8.0051 8.0639 8.0903 8.1276 8.1841 8.5153 8.5377 9.7814 9.7823 11.3862 11.3889 11.5191 11.5255 11.7919 11.7940 12.8095 12.8105 13.3217 13.3237 k = 0.4671 0.3573 0.0635 ( 2842 PWs) bands (ev): -24.3931 -24.3931 -7.3499 -7.3437 -6.3239 -6.3140 -6.1271 -6.1269 -0.8713 -0.8626 2.4007 2.4062 4.6041 4.6085 6.1621 6.1713 6.1951 6.2045 7.0581 7.0957 7.9587 7.9906 8.0468 8.0952 8.1092 8.1839 8.5373 8.5602 9.8405 9.8418 11.3398 11.3473 11.4515 11.4635 11.8028 11.8050 12.9008 12.9018 13.2841 13.2878 k = 0.4605 0.3682 0.0762 ( 2842 PWs) bands (ev): -24.3930 -24.3930 -7.3508 -7.3435 -6.3249 -6.3130 -6.1293 -6.1288 -0.8608 -0.8504 2.4142 2.4209 4.5339 4.5387 6.1726 6.1820 6.2116 6.2207 7.0662 7.1105 7.9324 7.9748 8.0263 8.0894 8.1001 8.1845 8.5591 8.5815 9.9113 9.9132 11.2492 11.2565 11.4281 11.4411 11.8158 11.8181 12.9897 12.9903 13.1855 13.1867 k = 0.4539 0.3791 0.0889 ( 2844 PWs) bands (ev): -24.3928 -24.3928 -7.3518 -7.3433 -6.3259 -6.3121 -6.1318 -6.1311 -0.8482 -0.8361 2.4298 2.4377 4.4556 4.4605 6.1845 6.1940 6.2305 6.2388 7.0757 7.1263 7.9056 7.9576 8.0041 8.0693 8.1041 8.1856 8.5797 8.6010 9.9927 9.9955 11.1413 11.1477 11.4205 11.4341 11.8305 11.8330 13.0658 13.0692 13.0813 13.0862 k = 0.4473 0.3899 0.1016 ( 2848 PWs) bands (ev): -24.3926 -24.3926 -7.3528 -7.3432 -6.3270 -6.3112 -6.1346 -6.1335 -0.8335 -0.8199 2.4474 2.4565 4.3705 4.3755 6.1980 6.2075 6.2511 6.2586 7.0862 7.1427 7.8790 7.9393 7.9810 8.0481 8.1077 8.1867 8.5981 8.6180 10.0828 10.0869 11.0291 11.0349 11.4166 11.4315 11.8463 11.8491 12.9734 12.9740 13.1024 13.1077 k = 0.4407 0.4008 0.1143 ( 2852 PWs) bands (ev): -24.3924 -24.3924 -7.3538 -7.3432 -6.3281 -6.3103 -6.1376 -6.1361 -0.8168 -0.8016 2.4665 2.4768 4.2801 4.2851 6.2129 6.2225 6.2732 6.2796 7.0974 7.1594 7.8529 7.9198 7.9578 8.0259 8.1110 8.1877 8.6142 8.6327 10.1791 10.1851 10.9170 10.9220 11.4143 11.4311 11.8625 11.8654 12.8667 12.8688 13.0314 13.0342 k = 0.4342 0.4116 0.1270 ( 2850 PWs) bands (ev): -24.3922 -24.3922 -7.3549 -7.3433 -6.3293 -6.3096 -6.1408 -6.1388 -0.7980 -0.7814 2.4868 2.4984 4.1860 4.1910 6.2294 6.2392 6.2962 6.3016 7.1090 7.1764 7.8274 7.8992 7.9348 8.0027 8.1139 8.1886 8.6277 8.6449 10.2774 10.2865 10.8083 10.8117 11.4135 11.4327 11.8778 11.8807 12.7628 12.7660 12.9405 12.9455 k = 0.4276 0.4225 0.1397 ( 2846 PWs) bands (ev): -24.3919 -24.3919 -7.3560 -7.3435 -6.3305 -6.3089 -6.1441 -6.1416 -0.7771 -0.7591 2.5076 2.5205 4.0895 4.0945 6.2474 6.2574 6.3200 6.3245 7.1209 7.1933 7.8026 7.8775 7.9124 7.9785 8.1166 8.1892 8.6389 8.6547 10.3687 10.3834 10.7092 10.7098 11.4156 11.4374 11.8902 11.8930 12.6641 12.6683 12.8479 12.8538 k = 0.4210 0.4334 0.1524 ( 2846 PWs) bands (ev): -24.3916 -24.3916 -7.3571 -7.3439 -6.3318 -6.3084 -6.1476 -6.1444 -0.7542 -0.7348 2.5281 2.5425 3.9923 3.9974 6.2670 6.2772 6.3444 6.3479 7.1329 7.2101 7.7785 7.8546 7.8909 7.9532 8.1192 8.1898 8.6477 8.6625 10.4236 10.4488 10.6375 10.6470 11.4231 11.4476 11.8967 11.8990 12.5744 12.5792 12.7558 12.7621 k = 0.4144 0.4442 0.1651 ( 2850 PWs) bands (ev): -24.3914 -24.3914 -7.3582 -7.3443 -6.3333 -6.3081 -6.1510 -6.1471 -0.7293 -0.7086 2.5474 2.5633 3.8962 3.9014 6.2880 6.2987 6.3690 6.3717 7.1447 7.2265 7.7551 7.8301 7.8705 7.9270 8.1216 8.1902 8.6543 8.6683 10.3908 10.4174 10.6558 10.6655 11.4407 11.4675 11.8929 11.8943 12.4983 12.5032 12.6654 12.6718 k = 0.4078 0.4551 0.1778 ( 2858 PWs) bands (ev): -24.3911 -24.3911 -7.3594 -7.3448 -6.3348 -6.3079 -6.1544 -6.1498 -0.7024 -0.6805 2.5640 2.5815 3.8031 3.8086 6.3104 6.3216 6.3936 6.3956 7.1563 7.2424 7.7324 7.8042 7.8514 7.8998 8.1240 8.1906 8.6591 8.6724 10.3052 10.3286 10.7168 10.7234 11.4749 11.5027 11.8733 11.8736 12.4417 12.4459 12.5774 12.5837 k = 0.4012 0.4660 0.1905 ( 2860 PWs) bands (ev): -24.3908 -24.3908 -7.3606 -7.3454 -6.3364 -6.3079 -6.1577 -6.1524 -0.6734 -0.6504 2.5759 2.5951 3.7155 3.7213 6.3343 6.3461 6.4180 6.4194 7.1675 7.2579 7.7105 7.7768 7.8339 7.8719 8.1266 8.1911 8.6621 8.6751 10.2073 10.2296 10.7656 10.7728 11.5322 11.5593 11.8321 11.8347 12.4085 12.4113 12.4924 12.4985 k = 0.3947 0.4768 0.2033 ( 2866 PWs) bands (ev): -24.3904 -24.3904 -7.3618 -7.3462 -6.3380 -6.3082 -6.1608 -6.1548 -0.6426 -0.6184 2.5807 2.6016 3.6364 3.6426 6.3595 6.3721 6.4418 6.4429 7.1785 7.2728 7.6891 7.7480 7.8179 7.8433 8.1293 8.1917 8.6636 8.6764 10.1070 10.1294 10.7887 10.7993 11.6153 11.6402 11.7715 11.7761 12.3983 12.3994 12.4109 12.4164 k = 0.3881 0.4877 0.2160 ( 2866 PWs) bands (ev): -24.3901 -24.3901 -7.3630 -7.3470 -6.3398 -6.3088 -6.1638 -6.1571 -0.6097 -0.5845 2.5756 2.5980 3.5692 3.5757 6.3860 6.3994 6.4647 6.4657 7.1890 7.2869 7.6684 7.7180 7.8035 7.8146 8.1322 8.1926 8.6637 8.6766 10.0073 10.0303 10.7858 10.8010 11.6889 11.7020 11.7281 11.7432 12.3332 12.3380 12.4063 12.4067 k = 0.3815 0.4986 0.2287 ( 2874 PWs) bands (ev): -24.3898 -24.3898 -7.3643 -7.3480 -6.3416 -6.3096 -6.1664 -6.1591 -0.5750 -0.5488 2.5576 2.5814 3.5172 3.5238 6.4135 6.4281 6.4863 6.4876 7.1992 7.3002 7.6480 7.6867 7.7858 7.7911 8.1355 8.1938 8.6626 8.6758 9.9090 9.9330 10.7612 10.7813 11.6063 11.6175 11.8473 11.8618 12.2604 12.2639 12.4265 12.4282 k = 0.3749 0.5094 0.2414 ( 2876 PWs) bands (ev): -24.3894 -24.3894 -7.3655 -7.3490 -6.3435 -6.3107 -6.1688 -6.1609 -0.5384 -0.5113 2.5246 2.5492 3.4831 3.4893 6.4419 6.4579 6.5063 6.5083 7.2091 7.3127 7.6276 7.6544 7.7581 7.7801 8.1393 8.1954 8.6605 8.6743 9.8126 9.8378 10.7202 10.7447 11.5137 11.5266 11.9771 11.9857 12.1962 12.1970 12.4557 12.4585 k = 0.3683 0.5203 0.2541 ( 2870 PWs) bands (ev): -24.3891 -24.3891 -7.3666 -7.3501 -6.3453 -6.3121 -6.1708 -6.1625 -0.5000 -0.4721 2.4761 2.5011 3.4677 3.4731 6.4708 6.4886 6.5245 6.5279 7.2189 7.3242 7.6067 7.6211 7.7321 7.7710 8.1436 8.1976 8.6575 8.6720 9.7185 9.7450 10.6672 10.6956 11.4176 11.4321 12.0694 12.0744 12.1701 12.1793 12.4905 12.4944 k = 0.3617 0.5311 0.2668 ( 2864 PWs) bands (ev): -24.3888 -24.3888 -7.3678 -7.3513 -6.3472 -6.3137 -6.1725 -6.1639 -0.4600 -0.4312 2.4133 2.4384 3.4699 3.4741 6.4989 6.5188 6.5415 6.5468 7.2289 7.3348 7.5842 7.5871 7.7091 7.7639 8.1485 8.2003 8.6536 8.6691 9.6268 9.6547 10.6054 10.6372 11.3199 11.3361 12.0371 12.0427 12.2731 12.2787 12.5286 12.5334 k = 0.3552 0.5420 0.2795 ( 2864 PWs) bands (ev): -24.3885 -24.3885 -7.3689 -7.3526 -6.3491 -6.3155 -6.1738 -6.1650 -0.4183 -0.3888 2.3387 2.3637 3.4873 3.4901 6.5240 6.5420 6.5634 6.5670 7.2389 7.3443 7.5519 7.5598 7.6902 7.7587 8.1540 8.2038 8.6488 8.6656 9.5377 9.5670 10.5373 10.5720 11.2219 11.2396 11.9828 11.9868 12.3933 12.3943 12.5679 12.5736 k = 0.3486 0.5529 0.2922 ( 2868 PWs) bands (ev): -24.3881 -24.3881 -7.3700 -7.3539 -6.3508 -6.3176 -6.1749 -6.1660 -0.3751 -0.3449 2.2552 2.2800 3.5169 3.5184 6.5422 6.5533 6.5916 6.5946 7.2493 7.3529 7.5164 7.5323 7.6761 7.7553 8.1603 8.2079 8.6432 8.6613 9.4515 9.4821 10.4648 10.5020 11.1242 11.1434 11.9293 11.9321 12.4950 12.5025 12.6064 12.6132 k = 0.3420 0.5637 0.3049 ( 2862 PWs) bands (ev): -24.3878 -24.3878 -7.3710 -7.3553 -6.3525 -6.3198 -6.1755 -6.1667 -0.3306 -0.2998 2.1655 2.1902 3.5562 3.5564 6.5525 6.5581 6.6213 6.6290 7.2604 7.3608 7.4805 7.5023 7.6671 7.7539 8.1676 8.2130 8.6364 8.6559 9.3686 9.4004 10.3894 10.4288 11.0276 11.0482 11.8790 11.8809 12.5804 12.5933 12.6426 12.6504 k = 0.3354 0.5746 0.3176 ( 2862 PWs) bands (ev): -24.3875 -24.3875 -7.3720 -7.3566 -6.3541 -6.3222 -6.1759 -6.1672 -0.2850 -0.2535 2.0720 2.0967 3.6021 3.6031 6.5564 6.5583 6.6540 6.6647 7.2720 7.3677 7.4444 7.4704 7.6627 7.7543 8.1758 8.2190 8.6281 8.6490 9.2895 9.3221 10.3124 10.3535 10.9324 10.9543 11.8328 11.8338 12.6507 12.6682 12.6763 12.6847 k = 0.3288 0.5855 0.3303 ( 2862 PWs) bands (ev): -24.3873 -24.3873 -7.3728 -7.3580 -6.3555 -6.3246 -6.1760 -6.1676 -0.2384 -0.2064 1.9764 2.0012 3.6539 3.6559 6.5541 6.5550 6.6883 6.7009 7.2841 7.3730 7.4086 7.4382 7.6622 7.7564 8.1850 8.2260 8.6177 8.6396 9.2151 9.2481 10.2346 10.2774 10.8388 10.8621 11.7908 11.7912 12.6939 12.7081 12.7231 12.7387 k = 0.3222 0.5963 0.3430 ( 2868 PWs) bands (ev): -24.3870 -24.3870 -7.3735 -7.3594 -6.3567 -6.3270 -6.1759 -6.1678 -0.1914 -0.1589 1.8803 1.9054 3.7104 3.7134 6.5456 6.5490 6.7233 6.7372 7.2959 7.3724 7.3741 7.4108 7.6650 7.7601 8.1953 8.2342 8.6043 8.6266 9.1468 9.1791 10.1570 10.2010 10.7471 10.7717 11.7531 11.7534 12.7149 12.7292 12.7817 12.8001 k = 0.3157 0.6072 0.3557 ( 2866 PWs) bands (ev): -24.3867 -24.3867 -7.3742 -7.3607 -6.3577 -6.3295 -6.1756 -6.1678 -0.1442 -0.1112 1.7852 1.8105 3.7707 3.7745 6.5334 6.5387 6.7584 6.7731 7.3036 7.3448 7.3526 7.4025 7.6706 7.7654 8.2069 8.2435 8.5867 8.6082 9.0863 9.1163 10.0802 10.1253 10.6576 10.6834 11.7198 11.7205 12.7284 12.7438 12.8405 12.8599 k = 0.3091 0.6181 0.3684 ( 2862 PWs) bands (ev): -24.3865 -24.3865 -7.3747 -7.3620 -6.3584 -6.3318 -6.1751 -6.1678 -0.0975 -0.0641 1.6922 1.7179 3.8339 3.8385 6.5177 6.5246 6.7930 6.8080 7.2908 7.3209 7.3379 7.4065 7.6785 7.7721 8.2197 8.2542 8.5635 8.5826 9.0354 9.0612 10.0049 10.0507 10.5702 10.5973 11.6912 11.6923 12.7370 12.7534 12.8996 12.9194 k = 0.3025 0.6289 0.3811 ( 2868 PWs) bands (ev): -24.3863 -24.3863 -7.3750 -7.3632 -6.3589 -6.3341 -6.1745 -6.1677 -0.0520 -0.0183 1.6027 1.6289 3.8993 3.9047 6.4990 6.5072 6.8263 6.8407 7.2634 7.2876 7.3478 7.4130 7.6884 7.7800 8.2339 8.2661 8.5334 8.5483 8.9954 9.0149 9.9315 9.9778 10.4853 10.5135 11.6675 11.6688 12.7423 12.7596 12.9599 12.9797 k = 0.2959 0.6398 0.3938 ( 2868 PWs) bands (ev): -24.3861 -24.3861 -7.3753 -7.3643 -6.3591 -6.3361 -6.1737 -6.1675 -0.0087 0.0252 1.5182 1.5447 3.9664 3.9725 6.4780 6.4870 6.8570 6.8695 7.2369 7.2559 7.3605 7.4201 7.6998 7.7891 8.2494 8.2795 8.4958 8.5051 8.9668 8.9780 9.8605 9.9070 10.4028 10.4321 11.6487 11.6501 12.7459 12.7638 13.0218 13.0414 k = 0.2959 0.6398 0.3938 ( 2868 PWs) bands (ev): -24.3861 -24.3861 -7.3753 -7.3643 -6.3591 -6.3361 -6.1737 -6.1675 -0.0087 0.0252 1.5182 1.5447 3.9664 3.9725 6.4780 6.4870 6.8570 6.8695 7.2369 7.2559 7.3605 7.4201 7.6998 7.7891 8.2494 8.2795 8.4958 8.5051 8.9668 8.9780 9.8605 9.9070 10.4028 10.4321 11.6487 11.6501 12.7459 12.7638 13.0218 13.0414 k = 0.2795 0.6356 0.3987 ( 2872 PWs) bands (ev): -24.3861 -24.3861 -7.3753 -7.3647 -6.3591 -6.3369 -6.1734 -6.1673 0.0067 0.0405 1.4872 1.5137 3.9946 4.0009 6.4680 6.4772 6.8671 6.8784 7.2282 7.2449 7.3648 7.4214 7.7057 7.7934 8.2565 8.2857 8.4764 8.4837 8.9604 8.9681 9.8371 9.8832 10.3711 10.4007 11.6425 11.6439 12.7368 12.7547 13.0321 13.0512 k = 0.2630 0.6314 0.4036 ( 2872 PWs) bands (ev): -24.3860 -24.3860 -7.3752 -7.3651 -6.3589 -6.3376 -6.1730 -6.1672 0.0205 0.0540 1.4575 1.4838 4.0266 4.0332 6.4549 6.4644 6.8750 6.8851 7.2208 7.2354 7.3674 7.4198 7.7136 7.7987 8.2649 8.2934 8.4507 8.4566 8.9598 8.9640 9.8202 9.8651 10.3392 10.3690 11.6367 11.6382 12.7102 12.7276 13.0154 13.0339 k = 0.2466 0.6272 0.4086 ( 2872 PWs) bands (ev): -24.3859 -24.3859 -7.3751 -7.3654 -6.3587 -6.3383 -6.1725 -6.1670 0.0329 0.0659 1.4291 1.4551 4.0622 4.0689 6.4385 6.4481 6.8809 6.8897 7.2146 7.2272 7.3686 7.4160 7.7229 7.8046 8.2746 8.3020 8.4198 8.4253 8.9652 8.9664 9.8089 9.8521 10.3074 10.3372 11.6318 11.6332 12.6719 12.6886 12.9762 12.9939 k = 0.2301 0.6230 0.4135 ( 2873 PWs) bands (ev): -24.3859 -24.3859 -7.3750 -7.3658 -6.3583 -6.3390 -6.1720 -6.1668 0.0439 0.0761 1.4021 1.4275 4.1011 4.1078 6.4184 6.4281 6.8848 6.8923 7.2096 7.2203 7.3685 7.4103 7.7332 7.8110 8.2846 8.3105 8.3862 8.3917 8.9751 8.9762 9.8022 9.8433 10.2761 10.3056 11.6278 11.6293 12.6269 12.6429 12.9206 12.9375 k = 0.2137 0.6187 0.4184 ( 2867 PWs) bands (ev): -24.3858 -24.3858 -7.3748 -7.3661 -6.3579 -6.3396 -6.1715 -6.1666 0.0537 0.0849 1.3766 1.4013 4.1428 4.1496 6.3947 6.4043 6.8871 6.8932 7.2056 7.2145 7.3674 7.4035 7.7439 7.8176 8.2926 8.3130 8.3574 8.3599 8.9892 8.9920 9.7990 9.8377 10.2454 10.2745 11.6251 11.6266 12.5790 12.5941 12.8542 12.8702 k = 0.1973 0.6145 0.4233 ( 2869 PWs) bands (ev): -24.3858 -24.3858 -7.3746 -7.3664 -6.3574 -6.3402 -6.1709 -6.1663 0.0623 0.0922 1.3527 1.3765 4.1869 4.1937 6.3673 6.3766 6.8878 6.8928 7.2024 7.2098 7.3656 7.3960 7.7546 7.8241 8.2887 8.2928 8.3409 8.3518 9.0078 9.0116 9.7986 9.8346 10.2156 10.2440 11.6238 11.6254 12.5305 12.5447 12.7814 12.7967 k = 0.1808 0.6103 0.4282 ( 2868 PWs) bands (ev): -24.3858 -24.3858 -7.3743 -7.3667 -6.3568 -6.3409 -6.1703 -6.1661 0.0698 0.0983 1.3305 1.3531 4.2329 4.2396 6.3363 6.3453 6.8874 6.8913 7.1998 7.2059 7.3632 7.3883 7.7650 7.8302 8.2592 8.2652 8.3437 8.3612 9.0298 9.0343 9.8000 9.8332 10.1870 10.2146 11.6240 11.6258 12.4831 12.4964 12.7058 12.7202 k = 0.1644 0.6061 0.4332 ( 2871 PWs) bands (ev): -24.3857 -24.3857 -7.3740 -7.3670 -6.3562 -6.3415 -6.1697 -6.1658 0.0765 0.1033 1.3101 1.3314 4.2803 4.2868 6.3023 6.3107 6.8860 6.8891 7.1977 7.2026 7.3605 7.3807 7.7749 7.8357 8.2249 8.2352 8.3555 8.3739 9.0544 9.0591 9.8026 9.8329 10.1598 10.1862 11.6259 11.6278 12.4380 12.4503 12.6296 12.6433 k = 0.1480 0.6019 0.4381 ( 2869 PWs) bands (ev): -24.3857 -24.3857 -7.3737 -7.3673 -6.3555 -6.3421 -6.1691 -6.1656 0.0823 0.1071 1.2916 1.3113 4.3283 4.3345 6.2658 6.2735 6.8841 6.8863 7.1960 7.2000 7.3576 7.3737 7.7840 7.8404 8.1930 8.2059 8.3696 8.3875 9.0804 9.0852 9.8059 9.8332 10.1343 10.1593 11.6295 11.6315 12.3958 12.4071 12.5550 12.5678 k = 0.1315 0.5977 0.4430 ( 2863 PWs) bands (ev): -24.3857 -24.3857 -7.3734 -7.3676 -6.3548 -6.3428 -6.1685 -6.1653 0.0874 0.1101 1.2749 1.2930 4.3761 4.3820 6.2276 6.2345 6.8817 6.8833 7.1946 7.1978 7.3549 7.3672 7.7924 7.8442 8.1644 8.1791 8.3844 8.4011 9.1071 9.1117 9.8094 9.8336 10.1108 10.1341 11.6348 11.6369 12.3572 12.3675 12.4832 12.4952 k = 0.1151 0.5935 0.4479 ( 2861 PWs) bands (ev): -24.3856 -24.3856 -7.3730 -7.3679 -6.3541 -6.3434 -6.1679 -6.1651 0.0919 0.1122 1.2603 1.2765 4.4228 4.4282 6.1887 6.1947 6.8791 6.8802 7.1934 7.1959 7.3523 7.3616 7.8001 7.8468 8.1396 8.1552 8.3990 8.4142 9.1336 9.1378 9.8127 9.8338 10.0894 10.1108 11.6416 11.6439 12.3225 12.3317 12.4157 12.4267 k = 0.0986 0.5893 0.4528 ( 2861 PWs) bands (ev): -24.3856 -24.3856 -7.3726 -7.3683 -6.3533 -6.3441 -6.1674 -6.1650 0.0959 0.1136 1.2477 1.2618 4.4673 4.4723 6.1504 6.1555 6.8765 6.8773 7.1924 7.1944 7.3499 7.3567 7.8069 7.8483 8.1188 8.1345 8.4129 8.4263 9.1590 9.1628 9.8156 9.8336 10.0705 10.0896 11.6499 11.6523 12.2919 12.3000 12.3535 12.3634 k = 0.0822 0.5851 0.4578 ( 2859 PWs) bands (ev): -24.3856 -24.3856 -7.3723 -7.3686 -6.3525 -6.3448 -6.1669 -6.1649 0.0993 0.1144 1.2372 1.2492 4.5086 4.5129 6.1141 6.1182 6.8741 6.8746 7.1916 7.1931 7.3478 7.3527 7.8131 7.8486 8.1022 8.1170 8.4257 8.4371 9.1825 9.1857 9.8180 9.8330 10.0542 10.0708 11.6592 11.6616 12.2656 12.2726 12.2980 12.3066 k = 0.0658 0.5809 0.4627 ( 2863 PWs) bands (ev): -24.3856 -24.3856 -7.3719 -7.3689 -6.3517 -6.3455 -6.1664 -6.1648 0.1024 0.1146 1.2287 1.2385 4.5451 4.5487 6.0813 6.0845 6.8720 6.8722 7.1909 7.1920 7.3461 7.3494 7.8186 7.8477 8.0895 8.1025 8.4369 8.4463 9.2032 9.2058 9.8200 9.8319 10.0409 10.0546 11.6690 11.6713 12.2414 12.2481 12.2525 12.2588 k = 0.0493 0.5767 0.4676 ( 2862 PWs) bands (ev): -24.3856 -24.3856 -7.3715 -7.3693 -6.3509 -6.3463 -6.1660 -6.1648 0.1050 0.1143 1.2224 1.2298 4.5757 4.5785 6.0536 6.0560 6.8702 6.8703 7.1904 7.1912 7.3447 7.3469 7.8236 7.8459 8.0805 8.0910 8.4463 8.4535 9.2204 9.2224 9.8216 9.8305 10.0307 10.0413 11.6785 11.6805 12.2079 12.2140 12.2300 12.2339 k = 0.0329 0.5725 0.4725 ( 2866 PWs) bands (ev): -24.3856 -24.3856 -7.3711 -7.3696 -6.3501 -6.3470 -6.1656 -6.1648 0.1074 0.1136 1.2183 1.2233 4.5988 4.6007 6.0326 6.0341 6.8689 6.8689 7.1900 7.1906 7.3438 7.3451 7.8282 7.8433 8.0750 8.0823 8.4536 8.4584 9.2333 9.2346 9.8230 9.8289 10.0239 10.0311 11.6867 11.6882 12.1791 12.1833 12.2177 12.2204 k = 0.0164 0.5682 0.4775 ( 2871 PWs) bands (ev): -24.3856 -24.3856 -7.3707 -7.3700 -6.3493 -6.3478 -6.1653 -6.1649 0.1094 0.1125 1.2163 1.2188 4.6134 4.6144 6.0195 6.0203 6.8680 6.8681 7.1899 7.1901 7.3433 7.3439 7.8325 7.8401 8.0726 8.0764 8.4585 8.4610 9.2414 9.2421 9.8244 9.8273 10.0204 10.0241 11.6924 11.6932 12.1613 12.1635 12.2108 12.2122 k = 0.0000 0.5640 0.4824 ( 2870 PWs) bands (ev): -24.3856 -24.3856 -7.3704 -7.3704 -6.3485 -6.3485 -6.1651 -6.1651 0.1111 0.1111 1.2165 1.2165 4.6187 4.6187 6.0153 6.0153 6.8678 6.8678 7.1899 7.1899 7.3434 7.3434 7.8365 7.8365 8.0731 8.0731 8.4610 8.4610 9.2444 9.2444 9.8258 9.8258 10.0205 10.0205 11.6948 11.6948 12.1560 12.1560 12.2090 12.2090 k = 0.0000 0.5640 0.4824 ( 2870 PWs) bands (ev): -24.3856 -24.3856 -7.3704 -7.3704 -6.3485 -6.3485 -6.1651 -6.1651 0.1111 0.1111 1.2165 1.2165 4.6187 4.6187 6.0153 6.0153 6.8678 6.8678 7.1899 7.1899 7.3434 7.3434 7.8365 7.8365 8.0731 8.0731 8.4610 8.4610 9.2444 9.2444 9.8258 9.8258 10.0205 10.0205 11.6948 11.6948 12.1560 12.1560 12.2090 12.2090 k = 0.0066 0.5532 0.4951 ( 2866 PWs) bands (ev): -24.3855 -24.3855 -7.3707 -7.3701 -6.3486 -6.3483 -6.1659 -6.1648 0.1119 0.1126 1.2169 1.2182 4.6156 4.6166 6.0156 6.0175 6.8573 6.8625 7.1749 7.1963 7.3312 7.3602 7.8332 7.8422 8.0725 8.0748 8.4535 8.4614 9.2493 9.2553 9.8042 9.8156 10.0284 10.0382 11.6919 11.7001 12.1568 12.1605 12.2195 12.2222 k = 0.0132 0.5423 0.5078 ( 2868 PWs) bands (ev): -24.3855 -24.3855 -7.3710 -7.3698 -6.3484 -6.3479 -6.1672 -6.1650 0.1151 0.1165 1.2195 1.2220 4.6070 4.6091 6.0183 6.0221 6.8316 6.8417 7.1540 7.1913 7.3265 7.3787 7.8324 7.8497 8.0729 8.0773 8.4396 8.4550 9.2675 9.2800 9.7637 9.7812 10.0556 10.0700 11.6921 11.7076 12.1667 12.1739 12.2499 12.2548 k = 0.0197 0.5315 0.5205 ( 2866 PWs) bands (ev): -24.3854 -24.3854 -7.3714 -7.3697 -6.3481 -6.3473 -6.1690 -6.1658 0.1206 0.1226 1.2241 1.2279 4.5931 4.5962 6.0234 6.0290 6.7926 6.8069 7.1287 7.1746 7.3295 7.3973 7.8337 7.8584 8.0745 8.0805 8.4213 8.4434 9.2919 9.3121 9.7194 9.7397 10.0900 10.1059 11.6957 11.7170 12.1905 12.2007 12.2949 12.3009 k = 0.0263 0.5206 0.5331 ( 2860 PWs) bands (ev): -24.3853 -24.3853 -7.3719 -7.3695 -6.3475 -6.3466 -6.1713 -6.1670 0.1284 0.1311 1.2309 1.2359 4.5738 4.5778 6.0309 6.0382 6.7423 6.7601 7.0999 7.1492 7.3376 7.4153 7.8366 7.8675 8.0770 8.0841 8.4004 8.4284 9.3110 9.3404 9.6832 9.7047 10.1274 10.1434 11.7031 11.7285 12.2296 12.2425 12.3514 12.3576 k = 0.0329 0.5098 0.5458 ( 2858 PWs) bands (ev): -24.3852 -24.3852 -7.3723 -7.3694 -6.3468 -6.3456 -6.1740 -6.1687 0.1385 0.1419 1.2398 1.2460 4.5488 4.5536 6.0408 6.0496 6.6829 6.7036 7.0682 7.1177 7.3480 7.4322 7.8405 7.8763 8.0802 8.0878 8.3786 8.4119 9.3115 9.3499 9.6655 9.6862 10.1699 10.1849 11.7146 11.7422 12.2838 12.2992 12.4175 12.4229 k = 0.0395 0.4989 0.5585 ( 2856 PWs) bands (ev): -24.3851 -24.3851 -7.3728 -7.3694 -6.3460 -6.3445 -6.1772 -6.1709 0.1510 0.1550 1.2508 1.2582 4.5182 4.5236 6.0529 6.0631 6.6168 6.6398 7.0342 7.0822 7.3593 7.4479 7.8449 7.8843 8.0839 8.0913 8.3570 8.3951 9.2875 9.3317 9.6684 9.6850 10.2228 10.2358 11.7299 11.7583 12.3512 12.3694 12.4920 12.4961 k = 0.0461 0.4880 0.5712 ( 2860 PWs) bands (ev): -24.3849 -24.3849 -7.3733 -7.3694 -6.3449 -6.3433 -6.1808 -6.1735 0.1657 0.1704 1.2639 1.2724 4.4817 4.4877 6.0671 6.0784 6.5459 6.5708 6.9982 7.0439 7.3705 7.4623 7.8494 7.8914 8.0877 8.0945 8.3363 8.3789 9.2441 9.2910 9.6794 9.6902 10.2919 10.3023 11.7489 11.7770 12.4291 12.4506 12.5738 12.5784 k = 0.0526 0.4772 0.5839 ( 2860 PWs) bands (ev): -24.3847 -24.3847 -7.3739 -7.3694 -6.3437 -6.3418 -6.1847 -6.1765 0.1828 0.1880 1.2790 1.2886 4.4394 4.4458 6.0829 6.0951 6.4720 6.4985 6.9609 7.0039 7.3814 7.4754 7.8536 7.8972 8.0911 8.0977 8.3168 8.3638 9.1898 9.2382 9.6836 9.6908 10.3808 10.3887 11.7714 11.7985 12.5136 12.5391 12.6628 12.6713 k = 0.0592 0.4663 0.5966 ( 2862 PWs) bands (ev): -24.3845 -24.3845 -7.3745 -7.3696 -6.3424 -6.3403 -6.1890 -6.1800 0.2022 0.2080 1.2962 1.3068 4.3911 4.3978 6.0996 6.1126 6.3969 6.4246 6.9229 6.9631 7.3917 7.4873 7.8576 7.9020 8.0934 8.1011 8.2988 8.3503 9.1306 9.1802 9.6734 9.6824 10.4891 10.4949 11.7973 11.8228 12.6008 12.6301 12.7620 12.7750 k = 0.0658 0.4555 0.6093 ( 2866 PWs) bands (ev): -24.3843 -24.3843 -7.3751 -7.3697 -6.3409 -6.3386 -6.1937 -6.1838 0.2238 0.2301 1.3153 1.3269 4.3371 4.3439 6.1151 6.1287 6.3231 6.3519 6.8850 6.9226 7.4013 7.4980 7.8610 7.9055 8.0942 8.1048 8.2822 8.3385 9.0701 9.1206 9.6501 9.6630 10.6137 10.6183 11.8264 11.8501 12.6872 12.7189 12.8733 12.8898 k = 0.0724 0.4446 0.6220 ( 2870 PWs) bands (ev): -24.3840 -24.3840 -7.3758 -7.3700 -6.3393 -6.3367 -6.1986 -6.1879 0.2478 0.2546 1.3364 1.3489 4.2773 4.2841 6.1223 6.1373 6.2584 6.2867 6.8481 6.8832 7.4103 7.5074 7.8640 7.9080 8.0940 8.1085 8.2671 8.3283 9.0101 9.0614 9.6168 9.6334 10.7508 10.7547 11.8588 11.8806 12.7709 12.8034 12.9963 13.0148 k = 0.0789 0.4338 0.6347 ( 2872 PWs) bands (ev): -24.3838 -24.3838 -7.3765 -7.3703 -6.3376 -6.3348 -6.2037 -6.1923 0.2740 0.2812 1.3594 1.3727 4.2120 4.2187 6.0996 6.1183 6.2255 6.2477 6.8131 6.8462 7.4185 7.5157 7.8666 7.9096 8.0929 8.1120 8.2534 8.3196 8.9518 9.0037 9.5759 9.5958 10.8967 10.9003 11.8946 11.9147 12.8505 12.8828 13.1287 13.1483 k = 0.0855 0.4229 0.6474 ( 2866 PWs) bands (ev): -24.3835 -24.3835 -7.3772 -7.3707 -6.3358 -6.3328 -6.2090 -6.1969 0.3025 0.3101 1.3842 1.3984 4.1416 4.1480 6.0390 6.0618 6.2306 6.2460 6.7811 6.8126 7.4261 7.5229 7.8686 7.9102 8.0913 8.1150 8.2411 8.3125 8.8959 8.9482 9.5297 9.5524 11.0479 11.0514 11.9347 11.9530 12.9251 12.9566 13.2682 13.2882 k = 0.0921 0.4121 0.6601 ( 2864 PWs) bands (ev): -24.3832 -24.3832 -7.3780 -7.3711 -6.3339 -6.3307 -6.2145 -6.2018 0.3331 0.3411 1.4109 1.4258 4.0664 4.0725 5.9635 5.9880 6.2493 6.2613 6.7531 6.7838 7.4329 7.5288 7.8702 7.9100 8.0894 8.1173 8.2302 8.3066 8.8426 8.8949 9.4795 9.5049 11.2005 11.2041 11.9801 11.9970 12.9931 13.0234 13.4121 13.4323 k = 0.0987 0.4012 0.6728 ( 2866 PWs) bands (ev): -24.3829 -24.3829 -7.3787 -7.3717 -6.3319 -6.3285 -6.2200 -6.2068 0.3660 0.3743 1.4392 1.4548 3.9869 3.9925 5.8833 5.9080 6.2712 6.2810 6.7303 6.7609 7.4390 7.5335 7.8713 7.9091 8.0874 8.1188 8.2209 8.3018 8.7921 8.8442 9.4266 9.4545 11.3498 11.3536 12.0332 12.0490 13.0522 13.0810 13.5567 13.5759 k = 0.1053 0.3903 0.6855 ( 2870 PWs) bands (ev): -24.3826 -24.3826 -7.3795 -7.3723 -6.3299 -6.3263 -6.2257 -6.2120 0.4011 0.4097 1.4693 1.4854 3.9035 3.9087 5.8009 5.8251 6.2925 6.3013 6.7138 6.7455 7.4443 7.5369 7.8720 7.9075 8.0855 8.1191 8.2131 8.2979 8.7444 8.7961 9.3720 9.4021 11.4893 11.4935 12.0983 12.1132 13.0989 13.1256 13.6426 13.6543 k = 0.1118 0.3795 0.6982 ( 2864 PWs) bands (ev): -24.3823 -24.3823 -7.3803 -7.3729 -6.3279 -6.3240 -6.2313 -6.2172 0.4384 0.4471 1.5008 1.5175 3.8168 3.8214 5.7172 5.7405 6.3107 6.3204 6.7049 6.7387 7.4488 7.5390 7.8722 7.9056 8.0837 8.1182 8.2072 8.2948 8.6996 8.7505 9.3164 9.3487 11.6110 11.6152 12.1813 12.1952 13.1294 13.1530 13.6166 13.6311 k = 0.1184 0.3686 0.7109 ( 2858 PWs) bands (ev): -24.3820 -24.3820 -7.3812 -7.3736 -6.3258 -6.3217 -6.2368 -6.2225 0.4778 0.4867 1.5339 1.5509 3.7274 3.7314 5.6326 5.6546 6.3247 6.3370 6.7046 6.7414 7.4525 7.5398 7.8721 7.9034 8.0823 8.1159 8.2032 8.2923 8.6576 8.7076 9.2604 9.2946 11.7070 11.7112 12.2877 12.3003 13.1420 13.1618 13.6075 13.6253 k = 0.1250 0.3578 0.7236 ( 2864 PWs) bands (ev): -24.3816 -24.3816 -7.3820 -7.3744 -6.3238 -6.3195 -6.2423 -6.2277 0.5193 0.5283 1.5683 1.5856 3.6356 3.6390 5.5475 5.5681 6.3343 6.3496 6.7137 6.7535 7.4552 7.5391 7.8715 7.9010 8.0810 8.1124 8.2010 8.2902 8.6182 8.6671 9.2043 9.2402 11.7740 11.7786 12.4177 12.4286 13.1406 13.1562 13.6216 13.6416 k = 0.1316 0.3469 0.7363 ( 2866 PWs) bands (ev): -24.3813 -24.3813 -7.3828 -7.3753 -6.3218 -6.3173 -6.2477 -6.2329 0.5628 0.5719 1.6038 1.6214 3.5421 3.5448 5.4621 5.4812 6.3400 6.3579 6.7319 6.7744 7.4572 7.5372 7.8706 7.8986 8.0801 8.1077 8.2004 8.2886 8.5814 8.6291 9.1484 9.1860 11.8145 11.8203 12.5658 12.5750 13.1331 13.1450 13.6534 13.6746 k = 0.1382 0.3361 0.7489 ( 2864 PWs) bands (ev): -24.3810 -24.3810 -7.3837 -7.3761 -6.3198 -6.3151 -6.2529 -6.2380 0.6084 0.6175 1.6404 1.6582 3.4472 3.4493 5.3770 5.3944 6.3428 6.3623 6.7583 6.8029 7.4582 7.5339 7.8694 7.8964 8.0794 8.1024 8.2011 8.2873 8.5472 8.5936 9.0931 9.1321 11.8333 11.8406 12.7244 12.7320 13.1271 13.1366 13.6975 13.7188 k = 0.1447 0.3252 0.7616 ( 2864 PWs) bands (ev): -24.3807 -24.3807 -7.3845 -7.3771 -6.3180 -6.3131 -6.2578 -6.2429 0.6560 0.6651 1.6779 1.6958 3.3515 3.3529 5.2924 5.3081 6.3435 6.3637 6.7915 6.8376 7.4583 7.5295 7.8679 7.8945 8.0789 8.0966 8.2029 8.2862 8.5153 8.5604 9.0384 9.0786 11.8349 11.8435 12.8863 12.8923 13.1280 13.1363 13.7507 13.7714 k = 0.1513 0.3143 0.7743 ( 2864 PWs) bands (ev): -24.3804 -24.3804 -7.3853 -7.3781 -6.3162 -6.3112 -6.2625 -6.2477 0.7054 0.7145 1.7161 1.7339 3.2554 3.2560 5.2088 5.2228 6.3430 6.3632 6.8301 6.8772 7.4574 7.5239 7.8663 7.8928 8.0786 8.0905 8.2054 8.2852 8.4857 8.5296 8.9846 9.0258 11.8227 11.8323 13.0449 13.0491 13.1385 13.1469 13.8130 13.8325 k = 0.1579 0.3035 0.7870 ( 2862 PWs) bands (ev): -24.3801 -24.3801 -7.3861 -7.3791 -6.3146 -6.3094 -6.2668 -6.2522 0.7568 0.7656 1.7547 1.7725 3.1589 3.1594 5.1267 5.1390 6.3420 6.3616 6.8728 6.9205 7.4557 7.5174 7.8645 7.8915 8.0784 8.0846 8.2086 8.2845 8.4583 8.5012 8.9318 8.9737 11.7998 11.8099 13.1575 13.1647 13.1956 13.1998 13.8869 13.9045 k = 0.1645 0.2926 0.7997 ( 2864 PWs) bands (ev): -24.3798 -24.3798 -7.3869 -7.3801 -6.3131 -6.3079 -6.2707 -6.2564 0.8098 0.8185 1.7935 1.8111 3.0625 3.0635 5.0464 5.0572 6.3408 6.3596 6.9183 6.9664 7.4531 7.5102 7.8625 7.8905 8.0781 8.0789 8.2122 8.2837 8.4330 8.4750 8.8800 8.9224 11.7689 11.7791 13.1888 13.1978 13.3270 13.3285 13.9764 13.9916 k = 0.1711 0.2818 0.8124 ( 2864 PWs) bands (ev): -24.3795 -24.3795 -7.3876 -7.3811 -6.3118 -6.3068 -6.2741 -6.2603 0.8645 0.8730 1.8322 1.8495 2.9666 2.9684 4.9686 4.9778 6.3398 6.3574 6.9658 7.0142 7.4497 7.5024 7.8606 7.8897 8.0733 8.0780 8.2162 8.2829 8.4099 8.4511 8.8295 8.8720 11.7325 11.7424 13.2281 13.2380 13.4355 13.4378 14.0847 14.0970 k = 0.1776 0.2709 0.8251 ( 2858 PWs) bands (ev): -24.3792 -24.3792 -7.3882 -7.3821 -6.3108 -6.3059 -6.2769 -6.2639 0.9207 0.9288 1.8704 1.8874 2.8719 2.8744 4.8937 4.9015 6.3391 6.3555 7.0144 7.0630 7.4455 7.4944 7.8587 7.8891 8.0684 8.0777 8.2206 8.2821 8.3888 8.4296 8.7803 8.8227 11.6928 11.7022 13.2746 13.2851 13.5197 13.5239 14.2110 14.2206 k = 0.1842 0.2601 0.8378 ( 2862 PWs) bands (ev): -24.3790 -24.3790 -7.3889 -7.3831 -6.3100 -6.3055 -6.2791 -6.2670 0.9782 0.9859 1.9078 1.9243 2.7786 2.7819 4.8224 4.8288 6.3387 6.3537 7.0635 7.1122 7.4408 7.4862 7.8567 7.8884 8.0638 8.0772 8.2252 8.2810 8.3698 8.4103 8.7326 8.7744 11.6518 11.6604 13.3265 13.3375 13.5830 13.5886 14.3506 14.3581 k = 0.1908 0.2492 0.8505 ( 2862 PWs) bands (ev): -24.3788 -24.3787 -7.3894 -7.3841 -6.3095 -6.3056 -6.2807 -6.2697 1.0367 1.0440 1.9439 1.9600 2.6873 2.6914 4.7551 4.7603 6.3387 6.3523 7.1123 7.1610 7.4356 7.4783 7.8548 7.8877 8.0599 8.0766 8.2300 8.2798 8.3529 8.3934 8.6867 8.7276 11.6110 11.6188 13.3823 13.3937 13.6303 13.6366 14.4965 14.5023 k = 0.1974 0.2384 0.8632 ( 2856 PWs) bands (ev): -24.3785 -24.3785 -7.3899 -7.3851 -6.3093 -6.3061 -6.2816 -6.2720 1.0959 1.1027 1.9783 1.9939 2.5984 2.6033 4.6924 4.6966 6.3390 6.3511 7.1601 7.2086 7.4302 7.4708 7.8531 7.8866 8.0566 8.0757 8.2351 8.2782 8.3381 8.3791 8.6428 8.6824 11.5717 11.5786 13.4401 13.4518 13.6659 13.6723 14.6416 14.6458 k = 0.2039 0.2275 0.8759 ( 2856 PWs) bands (ev): -24.3784 -24.3784 -7.3903 -7.3860 -6.3093 -6.3068 -6.2820 -6.2739 1.1552 1.1614 2.0105 2.0255 2.5126 2.5184 4.6351 4.6383 6.3396 6.3502 7.2061 7.2542 7.4248 7.4639 7.8514 7.8851 8.0540 8.0746 8.2403 8.2761 8.3257 8.3671 8.6013 8.6391 11.5351 11.5409 13.4984 13.5102 13.6929 13.6992 14.7782 14.7805 k = 0.2105 0.2166 0.8886 ( 2858 PWs) bands (ev): -24.3782 -24.3782 -7.3906 -7.3869 -6.3095 -6.3078 -6.2820 -6.2753 1.2140 1.2195 2.0400 2.0543 2.4306 2.4373 4.5837 4.5861 6.3404 6.3495 7.2494 7.2968 7.4198 7.4578 7.8500 7.8829 8.0521 8.0730 8.2455 8.2736 8.3157 8.3576 8.5627 8.5983 11.5018 11.5068 13.5554 13.5669 13.7136 13.7195 14.8921 14.8946 k = 0.2171 0.2058 0.9013 ( 2854 PWs) bands (ev): -24.3780 -24.3780 -7.3908 -7.3877 -6.3099 -6.3087 -6.2818 -6.2765 1.2712 1.2759 2.0662 2.0798 2.3538 2.3615 4.5388 4.5405 6.3413 6.3489 7.2892 7.3351 7.4155 7.4527 7.8489 7.8800 8.0510 8.0711 8.2506 8.2708 8.3086 8.3504 8.5277 8.5604 11.4727 11.4767 13.6090 13.6200 13.7295 13.7349 14.9548 14.9672 k = 0.2237 0.1949 0.9140 ( 2852 PWs) bands (ev): -24.3779 -24.3779 -7.3910 -7.3884 -6.3103 -6.3096 -6.2814 -6.2774 1.3251 1.3289 2.0884 2.1015 2.2838 2.2924 4.5011 4.5022 6.3423 6.3484 7.3241 7.3671 7.4133 7.4486 7.8484 7.8763 8.0507 8.0687 8.2549 8.2679 8.3049 8.3450 8.4972 8.5263 11.4483 11.4514 13.6572 13.6673 13.7418 13.7466 14.9720 14.9889 k = 0.2303 0.1841 0.9267 ( 2848 PWs) bands (ev): -24.3778 -24.3778 -7.3910 -7.3891 -6.3107 -6.3104 -6.2810 -6.2781 1.3734 1.3763 2.1062 2.1186 2.2232 2.2327 4.4711 4.4717 6.3433 6.3479 7.3530 7.3880 7.4168 7.4459 7.8488 7.8719 8.0512 8.0660 8.2578 8.2652 8.3052 8.3408 8.4722 8.4966 11.4290 11.4313 13.6976 13.7063 13.7514 13.7556 14.9732 14.9883 k = 0.2368 0.1732 0.9394 ( 2848 PWs) bands (ev): -24.3778 -24.3778 -7.3909 -7.3896 -6.3111 -6.3109 -6.2805 -6.2786 1.4129 1.4148 2.1188 2.1303 2.1758 2.1858 4.4493 4.4496 6.3443 6.3473 7.3744 7.3942 7.4286 7.4446 7.8503 7.8669 8.0525 8.0630 8.2593 8.2629 8.3093 8.3365 8.4543 8.4724 11.4150 11.4165 13.7274 13.7338 13.7599 13.7630 14.9706 14.9816 k = 0.2434 0.1624 0.9521 ( 2848 PWs) bands (ev): -24.3777 -24.3777 -7.3907 -7.3901 -6.3113 -6.3113 -6.2801 -6.2791 1.4394 1.4403 2.1250 2.1316 2.1505 2.1566 4.4361 4.4362 6.3452 6.3467 7.3874 7.3946 7.4392 7.4444 7.8530 7.8617 8.0545 8.0600 8.2599 8.2614 8.3161 8.3311 8.4450 8.4549 11.4067 11.4075 13.7443 13.7472 13.7685 13.7696 14.9688 14.9746 k = 0.2500 0.1515 0.9647 ( 2848 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3114 -6.3114 -6.2796 -6.2796 1.4490 1.4490 2.1256 2.1256 2.1480 2.1480 4.4316 4.4316 6.3460 6.3460 7.3931 7.3931 7.4438 7.4438 7.8569 7.8569 8.0571 8.0571 8.2604 8.2604 8.3240 8.3240 8.4454 8.4454 11.4042 11.4042 13.7498 13.7498 13.7727 13.7727 14.9700 14.9700 k = 0.2500 0.1515 0.9647 ( 2848 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3114 -6.3114 -6.2796 -6.2796 1.4490 1.4490 2.1256 2.1256 2.1480 2.1480 4.4316 4.4316 6.3460 6.3460 7.3931 7.3931 7.4438 7.4438 7.8569 7.8569 8.0571 8.0571 8.2604 8.2604 8.3240 8.3240 8.4454 8.4454 11.4042 11.4042 13.7498 13.7498 13.7727 13.7727 14.9700 14.9700 k = 0.2632 0.1595 0.9554 ( 2846 PWs) bands (ev): -24.3777 -24.3777 -7.3906 -7.3903 -6.3114 -6.3113 -6.2798 -6.2793 1.4462 1.4466 2.1236 2.1247 2.1515 2.1518 4.4340 4.4341 6.3435 6.3443 7.3913 7.3941 7.4422 7.4443 7.8546 7.8595 8.0555 8.0579 8.2600 8.2610 8.3193 8.3279 8.4446 8.4497 11.4089 11.4093 13.6979 13.6979 13.8246 13.8262 14.9626 14.9656 k = 0.2763 0.1675 0.9461 ( 2848 PWs) bands (ev): -24.3777 -24.3777 -7.3908 -7.3901 -6.3113 -6.3113 -6.2801 -6.2791 1.4386 1.4392 2.1218 2.1239 2.1592 2.1597 4.4413 4.4415 6.3366 6.3383 7.3888 7.3941 7.4394 7.4439 7.8518 7.8625 8.0533 8.0574 8.2595 8.2623 8.3136 8.3315 8.4481 8.4573 11.4232 11.4238 13.6382 13.6384 13.8862 13.8893 14.9433 14.9491 k = 0.2895 0.1754 0.9368 ( 2852 PWs) bands (ev): -24.3777 -24.3777 -7.3909 -7.3898 -6.3112 -6.3111 -6.2804 -6.2787 1.4265 1.4271 2.1222 2.1250 2.1685 2.1692 4.4535 4.4539 6.3254 6.3280 7.3856 7.3933 7.4355 7.4427 7.8486 7.8656 8.0508 8.0560 8.2591 8.2644 8.3080 8.3344 8.4557 8.4671 11.4467 11.4474 13.5809 13.5812 13.9475 13.9519 14.9120 14.9204 k = 0.3026 0.1834 0.9275 ( 2854 PWs) bands (ev): -24.3778 -24.3778 -7.3910 -7.3895 -6.3111 -6.3109 -6.2806 -6.2784 1.4106 1.4111 2.1250 2.1282 2.1787 2.1796 4.4707 4.4713 6.3099 6.3133 7.3818 7.3915 7.4306 7.4409 7.8448 7.8685 8.0484 8.0544 8.2590 8.2675 8.3032 8.3369 8.4670 8.4783 11.4786 11.4795 13.5264 13.5268 14.0086 14.0139 14.8691 14.8797 k = 0.3158 0.1914 0.9181 ( 2860 PWs) bands (ev): -24.3778 -24.3778 -7.3911 -7.3893 -6.3110 -6.3107 -6.2810 -6.2780 1.3915 1.3917 2.1298 2.1334 2.1894 2.1905 4.4927 4.4936 6.2902 6.2942 7.3773 7.3886 7.4251 7.4387 7.8402 7.8709 8.0465 8.0528 8.2595 8.2713 8.3001 8.3394 8.4809 8.4903 11.5182 11.5191 13.4748 13.4753 14.0694 14.0755 14.8151 14.8275 k = 0.3289 0.1993 0.9088 ( 2864 PWs) bands (ev): -24.3778 -24.3778 -7.3911 -7.3889 -6.3108 -6.3104 -6.2813 -6.2777 1.3694 1.3697 2.1363 2.1400 2.2007 2.2018 4.5194 4.5206 6.2664 6.2711 7.3720 7.3844 7.4197 7.4365 7.8349 7.8725 8.0454 8.0518 8.2606 8.2752 8.2996 8.3423 8.4967 8.5027 11.5646 11.5654 13.4261 13.4268 14.1302 14.1367 14.7511 14.7650 k = 0.3421 0.2073 0.8995 ( 2862 PWs) bands (ev): -24.3779 -24.3779 -7.3912 -7.3886 -6.3106 -6.3100 -6.2817 -6.2773 1.3448 1.3458 2.1441 2.1479 2.2122 2.2135 4.5505 4.5521 6.2390 6.2441 7.3661 7.3786 7.4151 7.4346 7.8288 7.8731 8.0454 8.0516 8.2625 8.2790 8.3021 8.3460 8.5137 8.5151 11.6167 11.6174 13.3805 13.3812 14.1908 14.1975 14.6788 14.6937 k = 0.3553 0.2153 0.8902 ( 2860 PWs) bands (ev): -24.3779 -24.3779 -7.3912 -7.3882 -6.3103 -6.3095 -6.2821 -6.2770 1.3183 1.3200 2.1531 2.1567 2.2240 2.2254 4.5858 4.5879 6.2083 6.2137 7.3595 7.3710 7.4115 7.4331 7.8220 7.8725 8.0468 8.0525 8.2649 8.2829 8.3075 8.3507 8.5274 8.5316 11.6733 11.6738 13.3379 13.3387 14.2510 14.2576 14.6002 14.6159 k = 0.3684 0.2233 0.8808 ( 2864 PWs) bands (ev): -24.3780 -24.3780 -7.3912 -7.3878 -6.3100 -6.3090 -6.2826 -6.2767 1.2902 1.2928 2.1630 2.1663 2.2360 2.2375 4.6250 4.6275 6.1748 6.1803 7.3524 7.3621 7.4090 7.4322 7.8143 7.8705 8.0495 8.0544 8.2679 8.2876 8.3151 8.3566 8.5393 8.5497 11.7331 11.7334 13.2984 13.2993 14.3095 14.3154 14.5190 14.5350 k = 0.3816 0.2312 0.8715 ( 2860 PWs) bands (ev): -24.3781 -24.3781 -7.3912 -7.3874 -6.3096 -6.3084 -6.2831 -6.2764 1.2609 1.2644 2.1737 2.1767 2.2482 2.2496 4.6675 4.6706 6.1392 6.1446 7.3450 7.3522 7.4075 7.4320 7.8059 7.8673 8.0534 8.0575 8.2713 8.2939 8.3241 8.3639 8.5510 8.5681 11.7947 11.7947 13.2620 13.2631 14.3565 14.3587 14.4497 14.4630 k = 0.3947 0.2392 0.8622 ( 2855 PWs) bands (ev): -24.3781 -24.3781 -7.3912 -7.3870 -6.3092 -6.3077 -6.2837 -6.2761 1.2306 1.2350 2.1852 2.1877 2.2604 2.2619 4.7130 4.7167 6.1019 6.1072 7.3373 7.3417 7.4067 7.4325 7.7967 7.8628 8.0585 8.0618 8.2750 8.3019 8.3342 8.3728 8.5624 8.5864 11.8560 11.8563 13.2288 13.2299 14.3205 14.3316 14.4611 14.4622 k = 0.4079 0.2472 0.8529 ( 2861 PWs) bands (ev): -24.3782 -24.3782 -7.3912 -7.3865 -6.3086 -6.3070 -6.2843 -6.2759 1.1994 1.2048 2.1975 2.1995 2.2726 2.2741 4.7610 4.7653 6.0639 6.0687 7.3295 7.3310 7.4066 7.4335 7.7869 7.8572 8.0644 8.0671 8.2788 8.3117 8.3452 8.3833 8.5736 8.6047 11.9156 11.9162 13.1987 13.1999 14.2412 14.2549 14.5145 14.5146 k = 0.4211 0.2552 0.8435 ( 2862 PWs) bands (ev): -24.3783 -24.3783 -7.3911 -7.3861 -6.3080 -6.3062 -6.2850 -6.2757 1.1674 1.1738 2.2106 2.2121 2.2848 2.2864 4.8110 4.8159 6.0257 6.0299 7.3202 7.3217 7.4068 7.4352 7.7767 7.8506 8.0709 8.0733 8.2828 8.3232 8.3569 8.3955 8.5849 8.6231 11.9716 11.9724 13.1718 13.1731 14.1612 14.1752 14.5714 14.5727 k = 0.4342 0.2631 0.8342 ( 2860 PWs) bands (ev): -24.3784 -24.3784 -7.3911 -7.3856 -6.3074 -6.3052 -6.2858 -6.2756 1.1347 1.1421 2.2247 2.2255 2.2970 2.2986 4.8623 4.8679 5.9882 5.9917 7.3094 7.3138 7.4074 7.4372 7.7662 7.8434 8.0778 8.0801 8.2870 8.3361 8.3695 8.4092 8.5964 8.6415 12.0219 12.0229 13.1481 13.1494 14.0864 14.1004 14.6189 14.6243 k = 0.4474 0.2711 0.8249 ( 2860 PWs) bands (ev): -24.3785 -24.3785 -7.3910 -7.3851 -6.3066 -6.3042 -6.2865 -6.2755 1.1014 1.1097 2.2396 2.2398 2.3091 2.3107 4.9143 4.9206 5.9522 5.9549 7.2988 7.3060 7.4081 7.4395 7.7556 7.8357 8.0848 8.0873 8.2914 8.3499 8.3829 8.4244 8.6084 8.6600 12.0644 12.0656 13.1276 13.1290 14.0199 14.0337 14.5349 14.5396 k = 0.4605 0.2791 0.8156 ( 2862 PWs) bands (ev): -24.3786 -24.3786 -7.3908 -7.3846 -6.3058 -6.3032 -6.2873 -6.2754 1.0674 1.0766 2.2551 2.2556 2.3212 2.3227 4.9662 4.9732 5.9186 5.9204 7.2884 7.2981 7.4089 7.4418 7.7452 7.8278 8.0917 8.0945 8.2962 8.3640 8.3975 8.4408 8.6215 8.6790 12.0971 12.0984 13.1103 13.1118 13.9640 13.9776 14.4432 14.4483 k = 0.4737 0.2871 0.8062 ( 2862 PWs) bands (ev): -24.3787 -24.3787 -7.3907 -7.3840 -6.3049 -6.3021 -6.2881 -6.2754 1.0328 1.0429 2.2715 2.2728 2.3331 2.3346 5.0173 5.0250 5.8884 5.8892 7.2780 7.2901 7.4095 7.4439 7.7354 7.8201 8.0984 8.1014 8.3015 8.3775 8.4134 8.4582 8.6361 8.6985 12.1185 12.1198 13.0963 13.0979 13.9204 13.9338 14.3505 14.3559 k = 0.4868 0.2950 0.7969 ( 2861 PWs) bands (ev): -24.3788 -24.3788 -7.3906 -7.3835 -6.3040 -6.3009 -6.2889 -6.2754 0.9976 1.0085 2.2891 2.2910 2.3449 2.3464 5.0666 5.0749 5.8625 5.8626 7.2678 7.2821 7.4098 7.4454 7.7266 7.8128 8.1045 8.1078 8.3074 8.3897 8.4307 8.4766 8.6527 8.7187 12.1275 12.1287 13.0856 13.0872 13.8901 13.9033 14.2572 14.2627 k = 0.5000 0.3030 0.7876 ( 2864 PWs) bands (ev): -24.3790 -24.3790 -7.3904 -7.3829 -6.3029 -6.2997 -6.2897 -6.2754 0.9617 0.9733 2.3078 2.3105 2.3567 2.3581 5.1132 5.1218 5.8413 5.8423 7.2576 7.2739 7.4095 7.4461 7.7191 7.8062 8.1100 8.1132 8.3139 8.3999 8.4493 8.4955 8.6718 8.7399 12.1240 12.1251 13.0783 13.0798 13.8729 13.8861 14.1635 14.1692 k = 0.5000 0.3030 0.7876 ( 2864 PWs) bands (ev): -24.3790 -24.3790 -7.3904 -7.3829 -6.3029 -6.2997 -6.2897 -6.2754 0.9617 0.9733 2.3078 2.3105 2.3567 2.3581 5.1132 5.1218 5.8413 5.8423 7.2576 7.2739 7.4095 7.4461 7.7191 7.8062 8.1100 8.1132 8.3139 8.3999 8.4493 8.4955 8.6718 8.7399 12.1240 12.1251 13.0783 13.0798 13.8729 13.8861 14.1635 14.1692 k = 0.5000 0.3030 0.7697 ( 2860 PWs) bands (ev): -24.3792 -24.3792 -7.3899 -7.3817 -6.3008 -6.2977 -6.2907 -6.2754 0.8916 0.9045 2.3449 2.3493 2.3805 2.3816 5.2005 5.2098 5.8065 5.8095 7.2392 7.2589 7.4084 7.4458 7.7069 7.7947 8.1189 8.1219 8.3279 8.4182 8.4877 8.5337 8.7133 8.7835 12.1049 12.1057 13.0672 13.0687 13.8452 13.8582 13.9818 13.9876 k = 0.5000 0.3030 0.7518 ( 2858 PWs) bands (ev): -24.3795 -24.3795 -7.3894 -7.3805 -6.2986 -6.2965 -6.2908 -6.2754 0.8206 0.8349 2.3816 2.3882 2.4070 2.4073 5.2883 5.2987 5.7731 5.7786 7.2230 7.2462 7.4071 7.4447 7.6961 7.7835 8.1260 8.1291 8.3440 8.4376 8.5287 8.5742 8.7592 8.8303 12.0845 12.0849 13.0557 13.0571 13.7957 13.8001 13.8065 13.8176 k = 0.5000 0.3030 0.7339 ( 2850 PWs) bands (ev): -24.3798 -24.3798 -7.3889 -7.3792 -6.2970 -6.2963 -6.2890 -6.2754 0.7493 0.7647 2.4174 2.4270 2.4354 2.4366 5.3709 5.3831 5.7462 5.7553 7.2091 7.2357 7.4055 7.4424 7.6871 7.7730 8.1314 8.1346 8.3627 8.4588 8.5722 8.6170 8.8091 8.8804 12.0629 12.0629 13.0439 13.0452 13.6103 13.6165 13.7498 13.7618 k = 0.5000 0.3030 0.7160 ( 2852 PWs) bands (ev): -24.3801 -24.3801 -7.3883 -7.3779 -6.2983 -6.2940 -6.2862 -6.2751 0.6778 0.6945 2.4520 2.4644 2.4669 2.4694 5.4363 5.4503 5.7383 5.7513 7.1975 7.2274 7.4034 7.4388 7.6798 7.7631 8.1352 8.1387 8.3841 8.4821 8.6180 8.6620 8.8627 8.9335 12.0398 12.0403 13.0318 13.0328 13.4230 13.4291 13.6858 13.6970 k = 0.5000 0.3030 0.6981 ( 2852 PWs) bands (ev): -24.3804 -24.3804 -7.3876 -7.3765 -6.2999 -6.2919 -6.2829 -6.2745 0.6067 0.6245 2.4860 2.4975 2.5046 2.5047 5.4675 5.4808 5.7686 5.7833 7.1882 7.2213 7.4009 7.4338 7.6746 7.7541 8.1377 8.1415 8.4089 8.5079 8.6658 8.7089 8.9197 8.9895 12.0159 12.0168 13.0188 13.0191 13.2363 13.2419 13.6145 13.6248 k = 0.5000 0.3030 0.6802 ( 2860 PWs) bands (ev): -24.3808 -24.3808 -7.3868 -7.3750 -6.3017 -6.2901 -6.2793 -6.2734 0.5360 0.5549 2.5205 2.5321 2.5411 2.5425 5.4626 5.4724 5.8394 5.8530 7.1810 7.2172 7.3976 7.4271 7.6714 7.7461 8.1388 8.1431 8.4373 8.5368 8.7158 8.7579 8.9798 9.0483 11.9913 11.9925 12.9921 12.9964 13.0630 13.0642 13.5379 13.5475 k = 0.5000 0.3030 0.6623 ( 2870 PWs) bands (ev): -24.3812 -24.3812 -7.3860 -7.3736 -6.3035 -6.2888 -6.2755 -6.2717 0.4661 0.4860 2.5557 2.5688 2.5781 2.5796 5.4368 5.4431 5.9325 5.9453 7.1760 7.2148 7.3936 7.4187 7.6704 7.7392 8.1390 8.1437 8.4699 8.5691 8.7677 8.8088 9.0430 9.1097 11.9661 11.9675 12.8468 12.8553 13.0059 13.0086 13.4581 13.4671 k = 0.5000 0.3030 0.6444 ( 2866 PWs) bands (ev): -24.3815 -24.3815 -7.3851 -7.3721 -6.3054 -6.2880 -6.2714 -6.2693 0.3970 0.4179 2.5914 2.6075 2.6158 2.6158 5.4018 5.4055 6.0352 6.0481 7.1728 7.2141 7.3887 7.4087 7.6715 7.7336 8.1383 8.1435 8.5072 8.6056 8.8217 8.8617 9.1091 9.1738 11.9405 11.9421 12.6622 12.6703 12.9927 12.9947 13.3764 13.3849 k = 0.5000 0.3030 0.6265 ( 2866 PWs) bands (ev): -24.3819 -24.3819 -7.3842 -7.3705 -6.3072 -6.2877 -6.2672 -6.2662 0.3291 0.3508 2.6264 2.6470 2.6518 2.6549 5.3637 5.3652 6.1417 6.1555 7.1715 7.2147 7.3829 7.3973 7.6744 7.7292 8.1369 8.1425 8.5497 8.6466 8.8775 8.9164 9.1779 9.2404 11.9145 11.9163 12.4762 12.4843 12.9823 12.9839 13.2937 13.3020 k = 0.5000 0.3030 0.6086 ( 2874 PWs) bands (ev): -24.3824 -24.3824 -7.3833 -7.3690 -6.3090 -6.2878 -6.2627 -6.2626 0.2623 0.2849 2.6598 2.6817 2.6931 2.6960 5.3251 5.3252 6.2492 6.2642 7.1717 7.2165 7.3758 7.3844 7.6790 7.7262 8.1347 8.1408 8.5980 8.6928 8.9353 8.9730 9.2493 9.3094 11.8884 11.8902 12.2911 12.2993 12.9730 12.9743 13.2109 13.2192 k = 0.5000 0.3030 0.5907 ( 2868 PWs) bands (ev): -24.3828 -24.3828 -7.3822 -7.3674 -6.3109 -6.2882 -6.2586 -6.2581 0.1969 0.2202 2.6905 2.7124 2.7382 2.7398 5.2868 5.2884 6.3557 6.3723 7.1734 7.2192 7.3676 7.3702 7.6853 7.7247 8.1321 8.1388 8.6527 8.7448 8.9950 9.0314 9.3232 9.3808 11.8622 11.8638 12.1075 12.1158 12.9646 12.9657 13.1286 13.1372 k = 0.5000 0.3030 0.5728 ( 2876 PWs) bands (ev): -24.3832 -24.3832 -7.3812 -7.3658 -6.3126 -6.2887 -6.2542 -6.2533 0.1330 0.1569 2.7182 2.7403 2.7856 2.7861 5.2516 5.2543 6.4600 6.4781 7.1765 7.2226 7.3547 7.3581 7.6929 7.7244 8.1291 8.1362 8.7143 8.8031 9.0564 9.0916 9.3994 9.4543 11.8357 11.8370 11.9263 11.9344 12.9568 12.9574 13.0476 13.0567 k = 0.5000 0.3030 0.5549 ( 2876 PWs) bands (ev): -24.3837 -24.3837 -7.3801 -7.3642 -6.3144 -6.2894 -6.2496 -6.2484 0.0706 0.0952 2.7426 2.7649 2.8348 2.8352 5.2204 5.2241 6.5611 6.5804 7.1810 7.2266 7.3381 7.3472 7.7017 7.7256 8.1258 8.1333 8.7834 8.8684 9.1196 9.1535 9.4778 9.5299 11.7449 11.7538 11.8110 11.8126 12.9444 12.9452 12.9732 12.9826 k = 0.5000 0.3030 0.5370 ( 2876 PWs) bands (ev): -24.3841 -24.3841 -7.3790 -7.3626 -6.3161 -6.2901 -6.2447 -6.2433 0.0099 0.0349 2.7633 2.7861 2.8859 2.8868 5.1941 5.1986 6.6580 6.6779 7.1869 7.2309 7.3203 7.3351 7.7117 7.7282 8.1223 8.1304 8.8604 8.9411 9.1845 9.2171 9.5583 9.6074 11.5688 11.5777 11.7845 11.7855 12.8818 12.8900 12.9512 12.9538 k = 0.5000 0.3030 0.5191 ( 2876 PWs) bands (ev): -24.3846 -24.3846 -7.3778 -7.3611 -6.3177 -6.2910 -6.2397 -6.2381 -0.0492 -0.0237 2.7802 2.8033 2.9391 2.9405 5.1734 5.1785 6.7501 6.7694 7.1946 7.2354 7.3015 7.3216 7.7226 7.7319 8.1187 8.1273 8.9457 9.0217 9.2510 9.2823 9.6406 9.6866 11.3950 11.4040 11.7588 11.7592 12.8040 12.8144 12.9467 12.9482 k = 0.5000 0.3030 0.5012 ( 2876 PWs) bands (ev): -24.3850 -24.3850 -7.3766 -7.3596 -6.3192 -6.2918 -6.2345 -6.2328 -0.1064 -0.0806 2.7929 2.8162 2.9945 2.9963 5.1587 5.1643 6.8368 6.8533 7.2043 7.2400 7.2816 7.3070 7.7343 7.7369 8.1151 8.1241 9.0392 9.1104 9.3190 9.3489 9.7246 9.7673 11.2246 11.2336 11.7330 11.7333 12.7263 12.7384 12.9445 12.9456 k = 0.5000 0.3030 0.4833 ( 2874 PWs) bands (ev): -24.3855 -24.3855 -7.3754 -7.3581 -6.3206 -6.2928 -6.2291 -6.2275 -0.1618 -0.1357 2.8012 2.8247 3.0519 3.0540 5.1507 5.1565 6.9176 6.9278 7.2167 7.2446 7.2608 7.2921 7.7430 7.7469 8.1115 8.1211 9.1409 9.2071 9.3883 9.4168 9.8099 9.8490 11.0580 11.0670 11.7069 11.7080 12.6494 12.6633 12.9440 12.9448 k = 0.5000 0.3030 0.4654 ( 2878 PWs) bands (ev): -24.3859 -24.3859 -7.3742 -7.3566 -6.3220 -6.2937 -6.2237 -6.2220 -0.2154 -0.1891 2.8050 2.8285 3.1114 3.1138 5.1494 5.1554 6.9907 6.9919 7.2305 7.2387 7.2495 7.2797 7.7502 7.7601 8.1082 8.1182 9.2504 9.3115 9.4585 9.4857 9.8963 9.9315 10.8959 10.9047 11.6810 11.6830 12.5733 12.5893 12.9452 12.9458 k = 0.5000 0.3030 0.4475 ( 2878 PWs) bands (ev): -24.3864 -24.3864 -7.3729 -7.3552 -6.3232 -6.2947 -6.2182 -6.2165 -0.2670 -0.2407 2.8044 2.8278 3.1727 3.1754 5.1551 5.1612 7.0396 7.0590 7.2165 7.2340 7.2545 7.2838 7.7582 7.7738 8.1051 8.1156 9.3668 9.4232 9.5293 9.5550 9.9835 10.0145 10.7393 10.7476 11.6550 11.6579 12.4984 12.5167 12.9480 12.9483 k = 0.5000 0.3030 0.4296 ( 2880 PWs) bands (ev): -24.3868 -24.3868 -7.3717 -7.3538 -6.3243 -6.2956 -6.2126 -6.2110 -0.3167 -0.2904 2.7994 2.8225 3.2360 3.2389 5.1677 5.1737 7.0735 7.1147 7.1965 7.2203 7.2611 7.3121 7.7671 7.7882 8.1024 8.1133 9.4886 9.5408 9.5998 9.6242 10.0711 10.0974 10.5896 10.5969 11.6289 11.6328 12.4250 12.4459 12.9524 12.9526 k = 0.5000 0.3030 0.4117 ( 2876 PWs) bands (ev): -24.3873 -24.3873 -7.3704 -7.3525 -6.3253 -6.2966 -6.2070 -6.2054 -0.3645 -0.3382 2.7902 2.8129 3.3011 3.3042 5.1870 5.1929 7.0937 7.1387 7.1962 7.2013 7.2728 7.3518 7.7768 7.8030 8.1000 8.1113 9.6117 9.6568 9.6744 9.6934 10.1590 10.1801 10.4498 10.4550 11.6025 11.6073 12.3538 12.3772 12.9586 12.9586 k = 0.5000 0.3030 0.3938 ( 2870 PWs) bands (ev): -24.3877 -24.3877 -7.3692 -7.3513 -6.3262 -6.2976 -6.2013 -6.1998 -0.4102 -0.3841 2.7773 2.7994 3.3680 3.3712 5.2128 5.2184 7.1015 7.1213 7.1824 7.2176 7.2970 7.3961 7.7872 7.8182 8.0981 8.1098 9.7147 9.7248 9.7764 9.7926 10.2464 10.2623 10.3259 10.3275 11.5758 11.5812 12.2857 12.3117 12.9664 12.9665 k = 0.5000 0.3030 0.3759 ( 2866 PWs) bands (ev): -24.3882 -24.3882 -7.3679 -7.3501 -6.3270 -6.2986 -6.1957 -6.1943 -0.4539 -0.4281 2.7608 2.7823 3.4365 3.4400 5.2445 5.2499 7.0931 7.0961 7.1679 7.2293 7.3350 7.4416 7.7983 7.8337 8.0966 8.1086 9.7605 9.7671 9.8938 9.9180 10.2216 10.2313 10.3385 10.3450 11.5487 11.5542 12.2222 12.2505 12.9759 12.9762 k = 0.5000 0.3030 0.3580 ( 2870 PWs) bands (ev): -24.3886 -24.3886 -7.3666 -7.3491 -6.3276 -6.2995 -6.1901 -6.1888 -0.4956 -0.4702 2.7415 2.7622 3.5067 3.5103 5.2817 5.2868 7.0609 7.0774 7.1600 7.2330 7.3782 7.4866 7.8098 7.8496 8.0956 8.1079 9.7519 9.7682 10.0159 10.0390 10.1665 10.1892 10.4294 10.4305 11.5212 11.5262 12.1651 12.1952 12.9871 12.9876 k = 0.5000 0.3030 0.3401 ( 2866 PWs) bands (ev): -24.3890 -24.3890 -7.3654 -7.3481 -6.3281 -6.3005 -6.1846 -6.1834 -0.5352 -0.5103 2.7196 2.7395 3.5784 3.5822 5.3238 5.3287 7.0258 7.0491 7.1560 7.2328 7.4221 7.5306 7.8219 7.8658 8.0951 8.1077 9.6901 9.7141 10.1251 10.1482 10.1738 10.2087 10.5196 10.5290 11.4937 11.4974 12.1165 12.1474 13.0001 13.0007 k = 0.5000 0.3030 0.3222 ( 2858 PWs) bands (ev): -24.3894 -24.3894 -7.3641 -7.3471 -6.3285 -6.3015 -6.1791 -6.1780 -0.5727 -0.5484 2.6958 2.7148 3.6515 3.6555 5.3701 5.3748 6.9879 7.0146 7.1530 7.2303 7.4652 7.5732 7.8345 7.8821 8.0951 8.1080 9.5973 9.6243 10.2129 10.2208 10.2422 10.2678 10.6210 10.6373 11.4673 11.4687 12.0785 12.1091 13.0148 13.0155 k = 0.5000 0.3030 0.3043 ( 2858 PWs) bands (ev): -24.3898 -24.3898 -7.3629 -7.3463 -6.3287 -6.3025 -6.1738 -6.1728 -0.6082 -0.5846 2.6706 2.6886 3.7259 3.7300 5.4200 5.4246 6.9472 6.9756 7.1497 7.2260 7.5071 7.6143 7.8475 7.8986 8.0956 8.1087 9.4931 9.5214 10.2866 10.2895 10.3109 10.3324 10.7368 10.7567 11.4415 11.4433 12.0531 12.0819 13.0311 13.0319 k = 0.5000 0.3030 0.2864 ( 2872 PWs) bands (ev): -24.3902 -24.3902 -7.3617 -7.3456 -6.3289 -6.3034 -6.1686 -6.1677 -0.6416 -0.6188 2.6443 2.6614 3.8014 3.8057 5.4729 5.4774 6.9035 6.9325 7.1454 7.2201 7.5478 7.6542 7.8609 7.9152 8.0964 8.1098 9.3868 9.4160 10.3383 10.3443 10.3772 10.3995 10.8646 10.8846 11.4179 11.4234 12.0420 12.0676 13.0491 13.0499 k = 0.5000 0.3030 0.2685 ( 2868 PWs) bands (ev): -24.3906 -24.3906 -7.3605 -7.3450 -6.3289 -6.3044 -6.1635 -6.1628 -0.6729 -0.6510 2.6176 2.6337 3.8779 3.8823 5.5280 5.5326 6.8570 6.8860 7.1403 7.2130 7.5876 7.6930 7.8747 7.9320 8.0977 8.1113 9.2826 9.3128 10.3552 10.3613 10.4619 10.4806 10.9977 11.0155 11.4003 11.4096 12.0471 12.0680 13.0685 13.0693 k = 0.5000 0.3030 0.2506 ( 2858 PWs) bands (ev): -24.3909 -24.3909 -7.3593 -7.3444 -6.3288 -6.3053 -6.1587 -6.1581 -0.7022 -0.6812 2.5908 2.6058 3.9551 3.9597 5.5846 5.5894 6.8077 6.8361 7.1342 7.2046 7.6268 7.7309 7.8890 7.9488 8.0994 8.1134 9.1826 9.2138 10.3459 10.3536 10.5522 10.5689 11.1275 11.1420 11.3907 11.4039 12.0703 12.0852 13.0892 13.0899 k = 0.5000 0.3030 0.2327 ( 2850 PWs) bands (ev): -24.3913 -24.3913 -7.3581 -7.3440 -6.3285 -6.3063 -6.1540 -6.1535 -0.7293 -0.7094 2.5643 2.5783 4.0328 4.0375 5.6421 5.6471 6.7555 6.7831 7.1272 7.1950 7.6654 7.7680 7.9036 7.9656 8.1013 8.1158 9.0878 9.1200 10.3167 10.3258 10.6457 10.6611 11.2422 11.2535 11.3937 11.4109 12.1144 12.1222 13.1110 13.1116 k = 0.5000 0.3030 0.2148 ( 2850 PWs) bands (ev): -24.3916 -24.3916 -7.3570 -7.3436 -6.3282 -6.3073 -6.1496 -6.1492 -0.7544 -0.7356 2.5385 2.5515 4.1107 4.1156 5.6999 5.7051 6.7006 6.7270 7.1193 7.1844 7.7034 7.8043 7.9188 7.9821 8.1035 8.1187 8.9990 9.0321 10.2722 10.2819 10.7417 10.7559 11.3200 11.3266 11.4259 11.4452 12.1819 12.1822 13.1336 13.1339 k = 0.5000 0.3030 0.1969 ( 2852 PWs) bands (ev): -24.3919 -24.3919 -7.3559 -7.3434 -6.3278 -6.3082 -6.1455 -6.1451 -0.7774 -0.7598 2.5138 2.5257 4.1884 4.1933 5.7571 5.7627 6.6435 6.6685 7.1108 7.1728 7.7411 7.8395 7.9346 7.9984 8.1058 8.1220 8.9163 8.9503 10.2166 10.2260 10.8397 10.8527 11.3523 11.3523 11.4913 11.5092 12.2674 12.2739 13.1564 13.1566 k = 0.5000 0.3030 0.1790 ( 2860 PWs) bands (ev): -24.3922 -24.3921 -7.3548 -7.3432 -6.3273 -6.3092 -6.1416 -6.1413 -0.7983 -0.7820 2.4903 2.5012 4.2655 4.2704 5.8131 5.8191 6.5846 6.6080 7.1017 7.1604 7.7782 7.8733 7.9513 8.0141 8.1082 8.1260 8.8402 8.8747 10.1536 10.1622 10.9392 10.9512 11.3632 11.3660 11.5553 11.5735 12.3769 12.3883 13.1781 13.1791 k = 0.5000 0.3030 0.1611 ( 2856 PWs) bands (ev): -24.3924 -24.3924 -7.3538 -7.3431 -6.3267 -6.3101 -6.1380 -6.1378 -0.8171 -0.8022 2.4684 2.4782 4.3413 4.3463 5.8672 5.8736 6.5245 6.5462 7.0924 7.1474 7.8149 7.9052 7.9696 8.0290 8.1108 8.1308 8.7706 8.8055 10.0863 10.0937 11.0401 11.0509 11.3712 11.3748 11.6075 11.6258 12.5063 12.5207 13.1964 13.1992 k = 0.5000 0.3030 0.1432 ( 2852 PWs) bands (ev): -24.3926 -24.3926 -7.3527 -7.3432 -6.3261 -6.3111 -6.1348 -6.1346 -0.8338 -0.8204 2.4483 2.4570 4.4151 4.4201 5.9187 5.9253 6.4642 6.4840 7.0830 7.1339 7.8507 7.9338 7.9899 8.0425 8.1135 8.1367 8.7078 8.7426 10.0175 10.0237 11.1416 11.1514 11.3782 11.3818 11.6486 11.6660 12.6499 12.6655 13.2013 13.2083 k = 0.5000 0.3030 0.1253 ( 2844 PWs) bands (ev): -24.3928 -24.3928 -7.3518 -7.3433 -6.3253 -6.3121 -6.1319 -6.1317 -0.8484 -0.8365 2.4302 2.4379 4.4862 4.4910 5.9669 5.9736 6.4047 6.4225 7.0739 7.1203 7.8855 7.9584 8.0126 8.0542 8.1164 8.1440 8.6517 8.6859 9.9499 9.9547 11.2434 11.2520 11.3845 11.3879 11.6809 11.6967 12.8016 12.8173 13.1524 13.1622 k = 0.5000 0.3030 0.1074 ( 2836 PWs) bands (ev): -24.3930 -24.3930 -7.3508 -7.3435 -6.3245 -6.3131 -6.1293 -6.1292 -0.8610 -0.8507 2.4143 2.4208 4.5532 4.5579 6.0109 6.0175 6.3473 6.3630 7.0654 7.1067 7.9186 7.9788 8.0365 8.0635 8.1200 8.1526 8.6023 8.6354 9.8855 9.8891 11.3444 11.3511 11.3900 11.3939 11.7065 11.7203 12.9564 12.9713 13.0488 13.0550 k = 0.5000 0.3030 0.0895 ( 2836 PWs) bands (ev): -24.3931 -24.3931 -7.3499 -7.3437 -6.3237 -6.3141 -6.1271 -6.1271 -0.8714 -0.8628 2.4006 2.4061 4.6149 4.6192 6.0500 6.0563 6.2937 6.3072 7.0578 7.0935 7.9495 7.9962 8.0584 8.0701 8.1253 8.1622 8.5600 8.5910 9.8266 9.8290 11.3948 11.3961 11.4433 11.4511 11.7268 11.7384 12.9352 12.9394 13.1096 13.1235 k = 0.5000 0.3030 0.0716 ( 2836 PWs) bands (ev): -24.3933 -24.3933 -7.3491 -7.3441 -6.3228 -6.3151 -6.1253 -6.1253 -0.8798 -0.8728 2.3894 2.3938 4.6696 4.6735 6.0833 6.0889 6.2459 6.2570 7.0515 7.0811 7.9777 8.0112 8.0742 8.0747 8.1340 8.1719 8.5251 8.5529 9.7749 9.7765 11.3988 11.4002 11.5379 11.5440 11.7431 11.7524 12.8262 12.8290 13.2552 13.2675 k = 0.5000 0.3030 0.0537 ( 2840 PWs) bands (ev): -24.3934 -24.3934 -7.3483 -7.3445 -6.3219 -6.3161 -6.1239 -6.1239 -0.8861 -0.8809 2.3807 2.3840 4.7155 4.7186 6.1099 6.1146 6.2062 6.2148 7.0470 7.0698 8.0024 8.0240 8.0761 8.0830 8.1469 8.1803 8.4980 8.5212 9.7324 9.7334 11.4020 11.4031 11.6244 11.6292 11.7561 11.7630 12.7274 12.7291 13.3427 13.3444 k = 0.5000 0.3030 0.0358 ( 2844 PWs) bands (ev): -24.3934 -24.3934 -7.3475 -7.3450 -6.3210 -6.3170 -6.1229 -6.1229 -0.8904 -0.8869 2.3746 2.3768 4.7504 4.7526 6.1284 6.1318 6.1775 6.1834 7.0447 7.0602 8.0227 8.0345 8.0765 8.0846 8.1615 8.1858 8.4794 8.4963 9.7007 9.7012 11.4044 11.4051 11.6960 11.6993 11.7673 11.7718 12.6453 12.6462 13.3534 13.3546 k = 0.5000 0.3030 0.0179 ( 2844 PWs) bands (ev): -24.3935 -24.3935 -7.3468 -7.3455 -6.3200 -6.3180 -6.1223 -6.1223 -0.8926 -0.8908 2.3711 2.3722 4.7725 4.7736 6.1362 6.1381 6.1640 6.1667 7.0448 7.0527 8.0371 8.0417 8.0766 8.0821 8.1743 8.1870 8.4700 8.4790 9.6811 9.6813 11.4058 11.4062 11.7405 11.7424 11.7801 11.7823 12.5890 12.5894 13.3602 13.3608 k = 0.5000 0.3030-0.0000 ( 2844 PWs) bands (ev): -24.3935 -24.3935 -7.3461 -7.3461 -6.3190 -6.3190 -6.1221 -6.1221 -0.8928 -0.8928 2.3703 2.3703 4.7804 4.7804 6.1369 6.1369 6.1629 6.1629 7.0475 7.0475 8.0435 8.0435 8.0785 8.0785 8.1832 8.1832 8.4700 8.4700 9.6746 9.6746 11.4065 11.4065 11.7530 11.7530 11.7897 11.7897 12.5687 12.5687 13.3627 13.3627 k = 0.0000 0.0000 0.9647 ( 2860 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3127 -6.3127 -6.2781 -6.2781 1.4306 1.4306 2.0314 2.0314 2.2466 2.2466 4.6319 4.6319 6.0263 6.0263 7.4136 7.4136 7.4436 7.4436 7.8579 7.8579 7.9951 7.9951 8.2286 8.2286 8.3132 8.3132 8.5157 8.5157 12.2208 12.2208 13.1393 13.1393 13.8194 13.8194 14.9825 14.9825 k = 0.0147 0.0089 0.9647 ( 2860 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3127 -6.3127 -6.2781 -6.2781 1.4308 1.4308 2.0318 2.0318 2.2461 2.2461 4.6299 4.6299 6.0293 6.0293 7.4133 7.4133 7.4437 7.4437 7.8579 7.8579 7.9954 7.9954 8.2289 8.2289 8.3132 8.3132 8.5153 8.5153 12.2101 12.2101 13.1414 13.1414 13.8328 13.8328 14.9722 14.9722 k = 0.0294 0.0178 0.9647 ( 2860 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3127 -6.3127 -6.2781 -6.2781 1.4313 1.4313 2.0331 2.0331 2.2447 2.2447 4.6240 4.6240 6.0381 6.0381 7.4127 7.4127 7.4438 7.4438 7.8579 7.8579 7.9965 7.9965 8.2299 8.2299 8.3132 8.3132 8.5141 8.5141 12.1790 12.1790 13.1479 13.1479 13.8716 13.8716 14.9420 14.9420 k = 0.0441 0.0267 0.9647 ( 2868 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3126 -6.3126 -6.2782 -6.2782 1.4320 1.4320 2.0353 2.0353 2.2423 2.2423 4.6144 4.6144 6.0522 6.0522 7.4117 7.4117 7.4439 7.4439 7.8578 7.8578 7.9984 7.9984 8.2315 8.2315 8.3133 8.3133 8.5120 8.5120 12.1310 12.1310 13.1587 13.1587 13.9323 13.9323 14.8947 14.8947 k = 0.0588 0.0356 0.9647 ( 2866 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3126 -6.3126 -6.2783 -6.2783 1.4330 1.4330 2.0383 2.0383 2.2391 2.2391 4.6018 4.6018 6.0712 6.0712 7.4103 7.4103 7.4441 7.4441 7.8577 7.8577 8.0009 8.0009 8.2337 8.2337 8.3134 8.3134 8.5091 8.5091 12.0703 12.0703 13.1738 13.1738 14.0103 14.0103 14.8335 14.8335 k = 0.0735 0.0446 0.9647 ( 2866 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3125 -6.3125 -6.2784 -6.2784 1.4342 1.4342 2.0421 2.0421 2.2350 2.2350 4.5866 4.5866 6.0941 6.0941 7.4087 7.4087 7.4443 7.4443 7.8576 7.8576 8.0042 8.0042 8.2364 8.2364 8.3135 8.3135 8.5054 8.5054 12.0012 12.0012 13.1932 13.1932 14.1010 14.1010 14.7620 14.7620 k = 0.0882 0.0535 0.9647 ( 2870 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3124 -6.3124 -6.2785 -6.2785 1.4357 1.4357 2.0467 2.0467 2.2300 2.2300 4.5697 4.5697 6.1201 6.1201 7.4070 7.4070 7.4444 7.4444 7.8575 7.8575 8.0081 8.0081 8.2394 8.2394 8.3137 8.3137 8.5010 8.5010 11.9276 11.9276 13.2170 13.2170 14.1999 14.1999 14.6831 14.6831 k = 0.1029 0.0624 0.9647 ( 2870 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3123 -6.3123 -6.2786 -6.2786 1.4372 1.4372 2.0520 2.0520 2.2243 2.2243 4.5516 4.5516 6.1482 6.1482 7.4051 7.4051 7.4445 7.4445 7.8574 7.8574 8.0127 8.0127 8.2426 8.2426 8.3139 8.3139 8.4960 8.4960 11.8525 11.8525 13.2452 13.2452 14.3032 14.3032 14.5994 14.5994 k = 0.1176 0.0713 0.9647 ( 2864 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3122 -6.3122 -6.2787 -6.2787 1.4389 1.4389 2.0581 2.0581 2.2178 2.2178 4.5332 4.5332 6.1774 6.1774 7.4032 7.4032 7.4445 7.4445 7.8574 7.8574 8.0177 8.0177 8.2460 8.2460 8.3144 8.3144 8.4903 8.4903 11.7785 11.7785 13.2777 13.2777 14.4063 14.4063 14.5139 14.5139 k = 0.1324 0.0802 0.9647 ( 2862 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3120 -6.3120 -6.2789 -6.2789 1.4406 1.4406 2.0648 2.0648 2.2107 2.2107 4.5149 4.5149 6.2067 6.2067 7.4014 7.4014 7.4445 7.4445 7.8573 7.8573 8.0232 8.0232 8.2492 8.2492 8.3150 8.3150 8.4842 8.4842 11.7077 11.7077 13.3146 13.3146 14.4206 14.4206 14.5135 14.5135 k = 0.1471 0.0891 0.9647 ( 2868 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3119 -6.3119 -6.2790 -6.2790 1.4423 1.4423 2.0721 2.0721 2.2030 2.2030 4.4974 4.4974 6.2351 6.2351 7.3996 7.3996 7.4444 7.4444 7.8572 7.8572 8.0289 8.0289 8.2521 8.2521 8.3158 8.3158 8.4777 8.4777 11.6418 11.6418 13.3557 13.3557 14.3335 14.3335 14.6092 14.6092 k = 0.1618 0.0980 0.9647 ( 2858 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3118 -6.3118 -6.2791 -6.2791 1.4439 1.4439 2.0800 2.0800 2.1948 2.1948 4.4813 4.4813 6.2618 6.2618 7.3980 7.3980 7.4443 7.4443 7.8572 7.8572 8.0348 8.0348 8.2547 8.2547 8.3170 8.3170 8.4711 8.4711 11.5820 11.5820 13.4012 13.4012 14.2457 14.2457 14.6986 14.6986 k = 0.1765 0.1069 0.9647 ( 2858 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3117 -6.3117 -6.2793 -6.2793 1.4453 1.4453 2.0882 2.0882 2.1862 2.1862 4.4669 4.4669 6.2858 6.2858 7.3965 7.3965 7.4442 7.4442 7.8571 7.8571 8.0405 8.0405 8.2568 8.2568 8.3183 8.3183 8.4646 8.4646 11.5296 11.5296 13.4509 13.4509 14.1590 14.1590 14.7781 14.7781 k = 0.1912 0.1159 0.9647 ( 2858 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3116 -6.3116 -6.2794 -6.2794 1.4466 1.4466 2.0968 2.0968 2.1773 2.1773 4.4546 4.4546 6.3066 6.3066 7.3953 7.3953 7.4441 7.4441 7.8570 7.8570 8.0457 8.0457 8.2583 8.2583 8.3198 8.3198 8.4586 8.4586 11.4855 11.4855 13.5047 13.5047 14.0741 14.0741 14.8456 14.8456 k = 0.2059 0.1248 0.9647 ( 2858 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3115 -6.3115 -6.2795 -6.2795 1.4476 1.4476 2.1056 2.1056 2.1683 2.1683 4.4447 4.4447 6.3234 6.3234 7.3943 7.3943 7.4439 7.4439 7.8569 7.8569 8.0503 8.0503 8.2594 8.2594 8.3214 8.3214 8.4533 8.4533 11.4504 11.4504 13.5627 13.5627 13.9917 13.9917 14.8994 14.8994 k = 0.2206 0.1337 0.9647 ( 2846 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3114 -6.3114 -6.2795 -6.2795 1.4484 1.4484 2.1142 2.1142 2.1595 2.1595 4.4375 4.4375 6.3358 6.3358 7.3936 7.3936 7.4439 7.4439 7.8570 7.8570 8.0539 8.0539 8.2600 8.2600 8.3228 8.3228 8.4492 8.4492 11.4249 11.4249 13.6246 13.6246 13.9121 13.9121 14.9385 14.9385 k = 0.2353 0.1426 0.9647 ( 2844 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3114 -6.3114 -6.2796 -6.2796 1.4489 1.4489 2.1219 2.1219 2.1517 2.1517 4.4331 4.4331 6.3434 6.3434 7.3932 7.3932 7.4438 7.4438 7.8569 7.8569 8.0562 8.0562 8.2603 8.2603 8.3237 8.3237 8.4464 8.4464 11.4094 11.4094 13.6902 13.6902 13.8359 13.8359 14.9621 14.9621 k = 0.2500 0.1515 0.9647 ( 2848 PWs) bands (ev): -24.3777 -24.3777 -7.3905 -7.3905 -6.3114 -6.3114 -6.2796 -6.2796 1.4490 1.4490 2.1256 2.1256 2.1480 2.1480 4.4316 4.4316 6.3460 6.3460 7.3931 7.3931 7.4438 7.4438 7.8569 7.8569 8.0571 8.0571 8.2604 8.2604 8.3240 8.3240 8.4454 8.4454 11.4042 11.4042 13.7498 13.7498 13.7727 13.7727 14.9700 14.9700 Writing output data file SrSi3Ni.save init_run : 2.33s CPU 12.87s WALL ( 1 calls) electrons : 563.27s CPU 569.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 563.17s CPU 569.40s WALL ( 1 calls) v_of_rho : 0.07s CPU 1.00s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.62s WALL ( 1 calls) newd : 0.52s CPU 0.69s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.23s WALL ( 350 calls) cegterg : 529.71s CPU 533.28s WALL ( 944 calls) Called by sum_band: Called by *egterg: h_psi : 267.32s CPU 275.67s WALL ( 16910 calls) s_psi : 35.11s CPU 36.19s WALL ( 16910 calls) g_psi : 0.35s CPU 0.54s WALL ( 15616 calls) cdiaghg : 172.66s CPU 169.46s WALL ( 15966 calls) cegterg:over : 36.55s CPU 32.53s WALL ( 15616 calls) cegterg:upda : 4.30s CPU 7.72s WALL ( 15616 calls) cegterg:last : 4.27s CPU 5.22s WALL ( 2366 calls) Called by h_psi: h_psi:vloc : 200.42s CPU 208.23s WALL ( 16910 calls) h_psi:vnl : 66.72s CPU 66.86s WALL ( 16910 calls) add_vuspsi : 22.14s CPU 27.92s WALL ( 16910 calls) General routines calbec : 44.55s CPU 38.86s WALL ( 16910 calls) fft : 0.24s CPU 1.30s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 189.20s CPU 194.45s WALL ( 1182480 calls) interpolate : 0.04s CPU 0.06s WALL ( 4 calls) davcio : 0.02s CPU 1.29s WALL ( 700 calls) Parallel routines fft_scatter : 121.02s CPU 123.97s WALL ( 1182503 calls) PWSCF : 10m 6.24s CPU 11m23.77s WALL This run was terminated on: 2:55:41 21Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=