Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:35:14 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Sb2Te3.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 16 4 1395 528 77 Max 32 17 5 1404 548 87 Sum 2263 1207 345 100727 38713 5943 bravais-lattice index = 14 lattice parameter (alat) = 11.2008 a.u. unit-cell volume = 1584.3585 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 32.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.200801 celldm(2)= 1.000000 celldm(3)= 1.278707 celldm(4)= 0.283704 celldm(5)= 0.283704 celldm(6)= 0.341365 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.341365 0.939931 0.000000 ) a(3) = ( 0.362774 0.254206 1.199528 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.363181 -0.225465 ) b(2) = ( 0.000000 1.063908 -0.225465 ) b(3) = ( 0.000000 0.000000 0.833661 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -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_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 254 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0142857 0.0100104 -0.0064419), wk = 0.0039370 k( 3) = ( 0.0285714 0.0200208 -0.0128837), wk = 0.0039370 k( 4) = ( 0.0428571 0.0300312 -0.0193256), wk = 0.0039370 k( 5) = ( 0.0571429 0.0400416 -0.0257674), wk = 0.0039370 k( 6) = ( 0.0714286 0.0500519 -0.0322093), wk = 0.0039370 k( 7) = ( 0.0857143 0.0600623 -0.0386511), wk = 0.0039370 k( 8) = ( 0.1000000 0.0700727 -0.0450930), wk = 0.0039370 k( 9) = ( 0.1142857 0.0800831 -0.0515348), wk = 0.0039370 k( 10) = ( 0.1285714 0.0900935 -0.0579767), wk = 0.0039370 k( 11) = ( 0.1428571 0.1001039 -0.0644185), wk = 0.0039370 k( 12) = ( 0.1571429 0.1101143 -0.0708604), wk = 0.0039370 k( 13) = ( 0.1714286 0.1201247 -0.0773022), wk = 0.0039370 k( 14) = ( 0.1857143 0.1301351 -0.0837441), wk = 0.0039370 k( 15) = ( 0.2000000 0.1401454 -0.0901860), wk = 0.0039370 k( 16) = ( 0.2142857 0.1501558 -0.0966278), wk = 0.0039370 k( 17) = ( 0.2285714 0.1601662 -0.1030697), wk = 0.0039370 k( 18) = ( 0.2428571 0.1701766 -0.1095115), wk = 0.0039370 k( 19) = ( 0.2571429 0.1801870 -0.1159534), wk = 0.0039370 k( 20) = ( 0.2714286 0.1901974 -0.1223952), wk = 0.0039370 k( 21) = ( 0.2857143 0.2002078 -0.1288371), wk = 0.0039370 k( 22) = ( 0.3000000 0.2102182 -0.1352789), wk = 0.0039370 k( 23) = ( 0.3142857 0.2202286 -0.1417208), wk = 0.0039370 k( 24) = ( 0.3285714 0.2302389 -0.1481626), wk = 0.0039370 k( 25) = ( 0.3428571 0.2402493 -0.1546045), wk = 0.0039370 k( 26) = ( 0.3571429 0.2502597 -0.1610464), wk = 0.0039370 k( 27) = ( 0.3714286 0.2602701 -0.1674882), wk = 0.0039370 k( 28) = ( 0.3857143 0.2702805 -0.1739301), wk = 0.0039370 k( 29) = ( 0.4000000 0.2802909 -0.1803719), wk = 0.0039370 k( 30) = ( 0.4142857 0.2903013 -0.1868138), wk = 0.0039370 k( 31) = ( 0.4285714 0.3003117 -0.1932556), wk = 0.0039370 k( 32) = ( 0.4428571 0.3103221 -0.1996975), wk = 0.0039370 k( 33) = ( 0.4571429 0.3203324 -0.2061393), wk = 0.0039370 k( 34) = ( 0.4714286 0.3303428 -0.2125812), wk = 0.0039370 k( 35) = ( 0.4857143 0.3403532 -0.2190230), wk = 0.0039370 k( 36) = ( 0.5000000 0.3503636 -0.2254649), wk = 0.0039370 k( 37) = ( 0.5000000 0.3503636 -0.2254649), wk = 0.0039370 k( 38) = ( 0.5052614 0.3540504 -0.2080680), wk = 0.0039370 k( 39) = ( 0.5105227 0.3577372 -0.1906711), wk = 0.0039370 k( 40) = ( 0.5157841 0.3614239 -0.1732742), wk = 0.0039370 k( 41) = ( 0.5210454 0.3651107 -0.1558773), wk = 0.0039370 k( 42) = ( 0.5263068 0.3687975 -0.1384804), wk = 0.0039370 k( 43) = ( 0.5315681 0.3724843 -0.1210835), wk = 0.0039370 k( 44) = ( 0.5368295 0.3761710 -0.1036866), wk = 0.0039370 k( 45) = ( 0.5420908 0.3798578 -0.0862897), wk = 0.0039370 k( 46) = ( 0.5473522 0.3835446 -0.0688928), wk = 0.0039370 k( 47) = ( 0.5526136 0.3872314 -0.0514959), wk = 0.0039370 k( 48) = ( 0.5578749 0.3909181 -0.0340990), wk = 0.0039370 k( 49) = ( 0.5578749 0.3909181 -0.0340990), wk = 0.0039370 k( 50) = ( 0.5534230 0.3877986 -0.0167556), wk = 0.0039370 k( 51) = ( 0.5489711 0.3846790 0.0005879), wk = 0.0039370 k( 52) = ( 0.5445191 0.3815594 0.0179313), wk = 0.0039370 k( 53) = ( 0.5400672 0.3784398 0.0352748), wk = 0.0039370 k( 54) = ( 0.5356153 0.3753202 0.0526182), wk = 0.0039370 k( 55) = ( 0.5311634 0.3722007 0.0699617), wk = 0.0039370 k( 56) = ( 0.5267115 0.3690811 0.0873051), wk = 0.0039370 k( 57) = ( 0.5222596 0.3659615 0.1046486), wk = 0.0039370 k( 58) = ( 0.5178077 0.3628419 0.1219920), wk = 0.0039370 k( 59) = ( 0.5133557 0.3597223 0.1393355), wk = 0.0039370 k( 60) = ( 0.5089038 0.3566028 0.1566789), wk = 0.0039370 k( 61) = ( 0.5044519 0.3534832 0.1740224), wk = 0.0039370 k( 62) = ( 0.5000000 0.3503636 0.1913658), wk = 0.0039370 k( 63) = ( 0.5000000 0.3503636 0.1913658), wk = 0.0039370 k( 64) = ( 0.5107752 0.3349864 0.1913658), wk = 0.0039370 k( 65) = ( 0.5215505 0.3196092 0.1913658), wk = 0.0039370 k( 66) = ( 0.5323257 0.3042320 0.1913658), wk = 0.0039370 k( 67) = ( 0.5431009 0.2888548 0.1913658), wk = 0.0039370 k( 68) = ( 0.5538761 0.2734776 0.1913658), wk = 0.0039370 k( 69) = ( 0.5646514 0.2581004 0.1913658), wk = 0.0039370 k( 70) = ( 0.5754266 0.2427232 0.1913658), wk = 0.0039370 k( 71) = ( 0.5862018 0.2273459 0.1913658), wk = 0.0039370 k( 72) = ( 0.5969771 0.2119687 0.1913658), wk = 0.0039370 k( 73) = ( 0.6077523 0.1965915 0.1913658), wk = 0.0039370 k( 74) = ( 0.6185275 0.1812143 0.1913658), wk = 0.0039370 k( 75) = ( 0.6293028 0.1658371 0.1913658), wk = 0.0039370 k( 76) = ( 0.6400780 0.1504599 0.1913658), wk = 0.0039370 k( 77) = ( 0.6508532 0.1350827 0.1913658), wk = 0.0039370 k( 78) = ( 0.6616284 0.1197055 0.1913658), wk = 0.0039370 k( 79) = ( 0.6724037 0.1043283 0.1913658), wk = 0.0039370 k( 80) = ( 0.3275963 -0.4675091 0.4168307), wk = 0.0039370 k( 81) = ( 0.3170287 -0.4524281 0.4168307), wk = 0.0039370 k( 82) = ( 0.3064611 -0.4373472 0.4168307), wk = 0.0039370 k( 83) = ( 0.2958935 -0.4222663 0.4168307), wk = 0.0039370 k( 84) = ( 0.2853258 -0.4071853 0.4168307), wk = 0.0039370 k( 85) = ( 0.2747582 -0.3921044 0.4168307), wk = 0.0039370 k( 86) = ( 0.2641906 -0.3770235 0.4168307), wk = 0.0039370 k( 87) = ( 0.2536230 -0.3619425 0.4168307), wk = 0.0039370 k( 88) = ( 0.2430554 -0.3468616 0.4168307), wk = 0.0039370 k( 89) = ( 0.2324877 -0.3317806 0.4168307), wk = 0.0039370 k( 90) = ( 0.2219201 -0.3166997 0.4168307), wk = 0.0039370 k( 91) = ( 0.2113525 -0.3016188 0.4168307), wk = 0.0039370 k( 92) = ( 0.2007848 -0.2865378 0.4168307), wk = 0.0039370 k( 93) = ( 0.1902172 -0.2714569 0.4168307), wk = 0.0039370 k( 94) = ( 0.1796496 -0.2563759 0.4168307), wk = 0.0039370 k( 95) = ( 0.1690820 -0.2412950 0.4168307), wk = 0.0039370 k( 96) = ( 0.1585144 -0.2262141 0.4168307), wk = 0.0039370 k( 97) = ( 0.1479467 -0.2111331 0.4168307), wk = 0.0039370 k( 98) = ( 0.1373791 -0.1960522 0.4168307), wk = 0.0039370 k( 99) = ( 0.1268115 -0.1809713 0.4168307), wk = 0.0039370 k( 100) = ( 0.1162439 -0.1658903 0.4168307), wk = 0.0039370 k( 101) = ( 0.1056762 -0.1508094 0.4168307), wk = 0.0039370 k( 102) = ( 0.0951086 -0.1357284 0.4168307), wk = 0.0039370 k( 103) = ( 0.0845410 -0.1206475 0.4168307), wk = 0.0039370 k( 104) = ( 0.0739734 -0.1055666 0.4168307), wk = 0.0039370 k( 105) = ( 0.0634057 -0.0904856 0.4168307), wk = 0.0039370 k( 106) = ( 0.0528381 -0.0754047 0.4168307), wk = 0.0039370 k( 107) = ( 0.0422705 -0.0603238 0.4168307), wk = 0.0039370 k( 108) = ( 0.0317029 -0.0452428 0.4168307), wk = 0.0039370 k( 109) = ( 0.0211353 -0.0301619 0.4168307), wk = 0.0039370 k( 110) = ( 0.0105676 -0.0150809 0.4168307), wk = 0.0039370 k( 111) = ( 0.0000000 0.0000000 0.4168307), wk = 0.0039370 k( 112) = ( 0.0000000 0.0000000 0.4168307), wk = 0.0039370 k( 113) = ( 0.0152457 0.0106831 0.4168307), wk = 0.0039370 k( 114) = ( 0.0304914 0.0213661 0.4168307), wk = 0.0039370 k( 115) = ( 0.0457371 0.0320492 0.4168307), wk = 0.0039370 k( 116) = ( 0.0609828 0.0427323 0.4168307), wk = 0.0039370 k( 117) = ( 0.0762285 0.0534154 0.4168307), wk = 0.0039370 k( 118) = ( 0.0914742 0.0640984 0.4168307), wk = 0.0039370 k( 119) = ( 0.1067199 0.0747815 0.4168307), wk = 0.0039370 k( 120) = ( 0.1219655 0.0854646 0.4168307), wk = 0.0039370 k( 121) = ( 0.1372112 0.0961477 0.4168307), wk = 0.0039370 k( 122) = ( 0.1524569 0.1068307 0.4168307), wk = 0.0039370 k( 123) = ( 0.1677026 0.1175138 0.4168307), wk = 0.0039370 k( 124) = ( 0.1829483 0.1281969 0.4168307), wk = 0.0039370 k( 125) = ( 0.1981940 0.1388799 0.4168307), wk = 0.0039370 k( 126) = ( 0.2134397 0.1495630 0.4168307), wk = 0.0039370 k( 127) = ( 0.2286854 0.1602461 0.4168307), wk = 0.0039370 k( 128) = ( 0.2439311 0.1709292 0.4168307), wk = 0.0039370 k( 129) = ( 0.2591768 0.1816122 0.4168307), wk = 0.0039370 k( 130) = ( 0.2744225 0.1922953 0.4168307), wk = 0.0039370 k( 131) = ( 0.2896682 0.2029784 0.4168307), wk = 0.0039370 k( 132) = ( 0.3049139 0.2136614 0.4168307), wk = 0.0039370 k( 133) = ( 0.3201596 0.2243445 0.4168307), wk = 0.0039370 k( 134) = ( 0.3354052 0.2350276 0.4168307), wk = 0.0039370 k( 135) = ( 0.3506509 0.2457107 0.4168307), wk = 0.0039370 k( 136) = ( 0.3658966 0.2563937 0.4168307), wk = 0.0039370 k( 137) = ( 0.3811423 0.2670768 0.4168307), wk = 0.0039370 k( 138) = ( 0.3963880 0.2777599 0.4168307), wk = 0.0039370 k( 139) = ( 0.4116337 0.2884429 0.4168307), wk = 0.0039370 k( 140) = ( 0.4268794 0.2991260 0.4168307), wk = 0.0039370 k( 141) = ( 0.4421251 0.3098091 0.4168307), wk = 0.0039370 k( 142) = ( 0.5000000 0.3503636 -0.2254649), wk = 0.0039370 k( 143) = ( 0.5100459 0.3360272 -0.2254649), wk = 0.0039370 k( 144) = ( 0.5200918 0.3216909 -0.2254649), wk = 0.0039370 k( 145) = ( 0.5301376 0.3073545 -0.2254649), wk = 0.0039370 k( 146) = ( 0.5401835 0.2930182 -0.2254649), wk = 0.0039370 k( 147) = ( 0.5502294 0.2786818 -0.2254649), wk = 0.0039370 k( 148) = ( 0.5602753 0.2643454 -0.2254649), wk = 0.0039370 k( 149) = ( 0.5703212 0.2500091 -0.2254649), wk = 0.0039370 k( 150) = ( 0.5803670 0.2356727 -0.2254649), wk = 0.0039370 k( 151) = ( 0.5904129 0.2213363 -0.2254649), wk = 0.0039370 k( 152) = ( 0.6004588 0.2070000 -0.2254649), wk = 0.0039370 k( 153) = ( 0.6105047 0.1926636 -0.2254649), wk = 0.0039370 k( 154) = ( 0.3894953 -0.5558444 -0.0000000), wk = 0.0039370 k( 155) = ( 0.3786760 -0.5404043 -0.0000000), wk = 0.0039370 k( 156) = ( 0.3678567 -0.5249642 -0.0000000), wk = 0.0039370 k( 157) = ( 0.3570374 -0.5095241 -0.0000000), wk = 0.0039370 k( 158) = ( 0.3462181 -0.4940839 -0.0000000), wk = 0.0039370 k( 159) = ( 0.3353988 -0.4786438 -0.0000000), wk = 0.0039370 k( 160) = ( 0.3245794 -0.4632037 -0.0000000), wk = 0.0039370 k( 161) = ( 0.3137601 -0.4477636 -0.0000000), wk = 0.0039370 k( 162) = ( 0.3029408 -0.4323235 -0.0000000), wk = 0.0039370 k( 163) = ( 0.2921215 -0.4168833 -0.0000000), wk = 0.0039370 k( 164) = ( 0.2813022 -0.4014432 -0.0000000), wk = 0.0039370 k( 165) = ( 0.2704829 -0.3860031 -0.0000000), wk = 0.0039370 k( 166) = ( 0.2596636 -0.3705630 -0.0000000), wk = 0.0039370 k( 167) = ( 0.2488442 -0.3551228 -0.0000000), wk = 0.0039370 k( 168) = ( 0.2380249 -0.3396827 -0.0000000), wk = 0.0039370 k( 169) = ( 0.2272056 -0.3242426 -0.0000000), wk = 0.0039370 k( 170) = ( 0.2163863 -0.3088025 -0.0000000), wk = 0.0039370 k( 171) = ( 0.2055670 -0.2933623 -0.0000000), wk = 0.0039370 k( 172) = ( 0.1947477 -0.2779222 -0.0000000), wk = 0.0039370 k( 173) = ( 0.1839283 -0.2624821 -0.0000000), wk = 0.0039370 k( 174) = ( 0.1731090 -0.2470420 -0.0000000), wk = 0.0039370 k( 175) = ( 0.1622897 -0.2316018 -0.0000000), wk = 0.0039370 k( 176) = ( 0.1514704 -0.2161617 -0.0000000), wk = 0.0039370 k( 177) = ( 0.1406511 -0.2007216 -0.0000000), wk = 0.0039370 k( 178) = ( 0.1298318 -0.1852815 -0.0000000), wk = 0.0039370 k( 179) = ( 0.1190125 -0.1698414 -0.0000000), wk = 0.0039370 k( 180) = ( 0.1081932 -0.1544012 -0.0000000), wk = 0.0039370 k( 181) = ( 0.0973738 -0.1389611 -0.0000000), wk = 0.0039370 k( 182) = ( 0.0865545 -0.1235210 -0.0000000), wk = 0.0039370 k( 183) = ( 0.0757352 -0.1080809 -0.0000000), wk = 0.0039370 k( 184) = ( 0.0649159 -0.0926407 -0.0000000), wk = 0.0039370 k( 185) = ( 0.0540966 -0.0772006 -0.0000000), wk = 0.0039370 k( 186) = ( 0.0432773 -0.0617605 -0.0000000), wk = 0.0039370 k( 187) = ( 0.0324579 -0.0463204 -0.0000000), wk = 0.0039370 k( 188) = ( 0.0216386 -0.0308802 -0.0000000), wk = 0.0039370 k( 189) = ( 0.0108193 -0.0154401 -0.0000000), wk = 0.0039370 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 192) = ( 0.0172414 -0.0062617 -0.0038873), wk = 0.0039370 k( 193) = ( 0.0344828 -0.0125235 -0.0077747), wk = 0.0039370 k( 194) = ( 0.0517241 -0.0187852 -0.0116620), wk = 0.0039370 k( 195) = ( 0.0689655 -0.0250470 -0.0155493), wk = 0.0039370 k( 196) = ( 0.0862069 -0.0313087 -0.0194366), wk = 0.0039370 k( 197) = ( 0.1034483 -0.0375704 -0.0233240), wk = 0.0039370 k( 198) = ( 0.1206897 -0.0438322 -0.0272113), wk = 0.0039370 k( 199) = ( 0.1379310 -0.0500939 -0.0310986), wk = 0.0039370 k( 200) = ( 0.1551724 -0.0563556 -0.0349859), wk = 0.0039370 k( 201) = ( 0.1724138 -0.0626174 -0.0388733), wk = 0.0039370 k( 202) = ( 0.1896552 -0.0688791 -0.0427606), wk = 0.0039370 k( 203) = ( 0.2068966 -0.0751409 -0.0466479), wk = 0.0039370 k( 204) = ( 0.2241379 -0.0814026 -0.0505352), wk = 0.0039370 k( 205) = ( 0.2413793 -0.0876643 -0.0544226), wk = 0.0039370 k( 206) = ( 0.2586207 -0.0939261 -0.0583099), wk = 0.0039370 k( 207) = ( 0.2758621 -0.1001878 -0.0621972), wk = 0.0039370 k( 208) = ( 0.2931034 -0.1064495 -0.0660845), wk = 0.0039370 k( 209) = ( 0.3103448 -0.1127113 -0.0699719), wk = 0.0039370 k( 210) = ( 0.3275862 -0.1189730 -0.0738592), wk = 0.0039370 k( 211) = ( 0.3448276 -0.1252348 -0.0777465), wk = 0.0039370 k( 212) = ( 0.3620690 -0.1314965 -0.0816338), wk = 0.0039370 k( 213) = ( 0.3793103 -0.1377582 -0.0855212), wk = 0.0039370 k( 214) = ( 0.3965517 -0.1440200 -0.0894085), wk = 0.0039370 k( 215) = ( 0.4137931 -0.1502817 -0.0932958), wk = 0.0039370 k( 216) = ( 0.4310345 -0.1565435 -0.0971831), wk = 0.0039370 k( 217) = ( 0.4482759 -0.1628052 -0.1010705), wk = 0.0039370 k( 218) = ( 0.4655172 -0.1690669 -0.1049578), wk = 0.0039370 k( 219) = ( 0.4827586 -0.1753287 -0.1088451), wk = 0.0039370 k( 220) = ( 0.5000000 -0.1815904 -0.1127324), wk = 0.0039370 k( 221) = ( 0.5000000 -0.1815904 0.3040983), wk = 0.0039370 k( 222) = ( 0.4848485 -0.1760877 0.2948832), wk = 0.0039370 k( 223) = ( 0.4696970 -0.1705849 0.2856681), wk = 0.0039370 k( 224) = ( 0.4545455 -0.1650822 0.2764530), wk = 0.0039370 k( 225) = ( 0.4393939 -0.1595794 0.2672379), wk = 0.0039370 k( 226) = ( 0.4242424 -0.1540767 0.2580228), wk = 0.0039370 k( 227) = ( 0.4090909 -0.1485740 0.2488077), wk = 0.0039370 k( 228) = ( 0.3939394 -0.1430712 0.2395926), wk = 0.0039370 k( 229) = ( 0.3787879 -0.1375685 0.2303775), wk = 0.0039370 k( 230) = ( 0.3636364 -0.1320657 0.2211624), wk = 0.0039370 k( 231) = ( 0.3484849 -0.1265630 0.2119473), wk = 0.0039370 k( 232) = ( 0.3333333 -0.1210603 0.2027322), wk = 0.0039370 k( 233) = ( 0.3181818 -0.1155575 0.1935171), wk = 0.0039370 k( 234) = ( 0.3030303 -0.1100548 0.1843020), wk = 0.0039370 k( 235) = ( 0.2878788 -0.1045521 0.1750869), wk = 0.0039370 k( 236) = ( 0.2727273 -0.0990493 0.1658718), wk = 0.0039370 k( 237) = ( 0.2575758 -0.0935466 0.1566567), wk = 0.0039370 k( 238) = ( 0.2424242 -0.0880438 0.1474416), wk = 0.0039370 k( 239) = ( 0.2272727 -0.0825411 0.1382265), wk = 0.0039370 k( 240) = ( 0.2121212 -0.0770384 0.1290114), wk = 0.0039370 k( 241) = ( 0.1969697 -0.0715356 0.1197963), wk = 0.0039370 k( 242) = ( 0.1818182 -0.0660329 0.1105812), wk = 0.0039370 k( 243) = ( 0.1666667 -0.0605301 0.1013661), wk = 0.0039370 k( 244) = ( 0.1515151 -0.0550274 0.0921510), wk = 0.0039370 k( 245) = ( 0.1363636 -0.0495247 0.0829359), wk = 0.0039370 k( 246) = ( 0.1212121 -0.0440219 0.0737208), wk = 0.0039370 k( 247) = ( 0.1060606 -0.0385192 0.0645057), wk = 0.0039370 k( 248) = ( 0.0909091 -0.0330164 0.0552906), wk = 0.0039370 k( 249) = ( 0.0757576 -0.0275137 0.0460755), wk = 0.0039370 k( 250) = ( 0.0606061 -0.0220110 0.0368604), wk = 0.0039370 k( 251) = ( 0.0454546 -0.0165082 0.0276453), wk = 0.0039370 k( 252) = ( 0.0303030 -0.0110055 0.0184302), wk = 0.0039370 k( 253) = ( 0.0151515 -0.0055027 0.0092151), wk = 0.0039370 k( 254) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0039370 k( 3) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0039370 k( 4) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0039370 k( 5) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0039370 k( 6) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0039370 k( 7) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0039370 k( 8) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0039370 k( 9) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0039370 k( 10) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0039370 k( 11) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0039370 k( 12) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0039370 k( 13) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0039370 k( 14) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0039370 k( 15) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0039370 k( 16) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0039370 k( 17) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0039370 k( 18) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0039370 k( 19) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0039370 k( 20) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0039370 k( 21) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0039370 k( 22) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0039370 k( 23) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0039370 k( 24) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0039370 k( 25) = ( 0.3428571 0.3428571 -0.0000000), wk = 0.0039370 k( 26) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0039370 k( 27) = ( 0.3714286 0.3714286 0.0000000), wk = 0.0039370 k( 28) = ( 0.3857143 0.3857143 -0.0000000), wk = 0.0039370 k( 29) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0039370 k( 30) = ( 0.4142857 0.4142857 -0.0000000), wk = 0.0039370 k( 31) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0039370 k( 32) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0039370 k( 33) = ( 0.4571429 0.4571429 0.0000000), wk = 0.0039370 k( 34) = ( 0.4714286 0.4714286 -0.0000000), wk = 0.0039370 k( 35) = ( 0.4857143 0.4857143 -0.0000000), wk = 0.0039370 k( 36) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 37) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 38) = ( 0.5052614 0.5052614 0.0237139), wk = 0.0039370 k( 39) = ( 0.5105227 0.5105227 0.0474279), wk = 0.0039370 k( 40) = ( 0.5157841 0.5157841 0.0711418), wk = 0.0039370 k( 41) = ( 0.5210454 0.5210454 0.0948558), wk = 0.0039370 k( 42) = ( 0.5263068 0.5263068 0.1185697), wk = 0.0039370 k( 43) = ( 0.5315681 0.5315681 0.1422836), wk = 0.0039370 k( 44) = ( 0.5368295 0.5368295 0.1659976), wk = 0.0039370 k( 45) = ( 0.5420908 0.5420908 0.1897115), wk = 0.0039370 k( 46) = ( 0.5473522 0.5473522 0.2134254), wk = 0.0039370 k( 47) = ( 0.5526136 0.5526136 0.2371394), wk = 0.0039370 k( 48) = ( 0.5578749 0.5578749 0.2608533), wk = 0.0039370 k( 49) = ( 0.5578749 0.5578749 0.2608533), wk = 0.0039370 k( 50) = ( 0.5534230 0.5534230 0.2792492), wk = 0.0039370 k( 51) = ( 0.5489711 0.5489711 0.2976451), wk = 0.0039370 k( 52) = ( 0.5445191 0.5445192 0.3160410), wk = 0.0039370 k( 53) = ( 0.5400672 0.5400672 0.3344369), wk = 0.0039370 k( 54) = ( 0.5356153 0.5356153 0.3528328), wk = 0.0039370 k( 55) = ( 0.5311634 0.5311634 0.3712287), wk = 0.0039370 k( 56) = ( 0.5267115 0.5267115 0.3896246), wk = 0.0039370 k( 57) = ( 0.5222596 0.5222596 0.4080205), wk = 0.0039370 k( 58) = ( 0.5178077 0.5178077 0.4264164), wk = 0.0039370 k( 59) = ( 0.5133557 0.5133558 0.4448123), wk = 0.0039370 k( 60) = ( 0.5089038 0.5089038 0.4632082), wk = 0.0039370 k( 61) = ( 0.5044519 0.5044519 0.4816041), wk = 0.0039370 k( 62) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 63) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 64) = ( 0.5107752 0.4892248 0.5000000), wk = 0.0039370 k( 65) = ( 0.5215505 0.4784495 0.5000000), wk = 0.0039370 k( 66) = ( 0.5323257 0.4676743 0.5000000), wk = 0.0039370 k( 67) = ( 0.5431009 0.4568991 0.5000000), wk = 0.0039370 k( 68) = ( 0.5538761 0.4461239 0.5000000), wk = 0.0039370 k( 69) = ( 0.5646514 0.4353486 0.5000000), wk = 0.0039370 k( 70) = ( 0.5754266 0.4245734 0.5000000), wk = 0.0039370 k( 71) = ( 0.5862018 0.4137982 0.5000000), wk = 0.0039370 k( 72) = ( 0.5969771 0.4030229 0.5000000), wk = 0.0039370 k( 73) = ( 0.6077523 0.3922477 0.5000000), wk = 0.0039370 k( 74) = ( 0.6185275 0.3814725 0.5000000), wk = 0.0039370 k( 75) = ( 0.6293028 0.3706973 0.5000000), wk = 0.0039370 k( 76) = ( 0.6400780 0.3599220 0.5000000), wk = 0.0039370 k( 77) = ( 0.6508532 0.3491468 0.5000000), wk = 0.0039370 k( 78) = ( 0.6616284 0.3383716 0.5000000), wk = 0.0039370 k( 79) = ( 0.6724037 0.3275963 0.5000000), wk = 0.0039370 k( 80) = ( 0.3275963 -0.3275963 0.5000000), wk = 0.0039370 k( 81) = ( 0.3170287 -0.3170287 0.5000000), wk = 0.0039370 k( 82) = ( 0.3064611 -0.3064611 0.5000000), wk = 0.0039370 k( 83) = ( 0.2958935 -0.2958935 0.5000000), wk = 0.0039370 k( 84) = ( 0.2853258 -0.2853258 0.5000000), wk = 0.0039370 k( 85) = ( 0.2747582 -0.2747582 0.5000000), wk = 0.0039370 k( 86) = ( 0.2641906 -0.2641906 0.5000000), wk = 0.0039370 k( 87) = ( 0.2536230 -0.2536230 0.5000000), wk = 0.0039370 k( 88) = ( 0.2430554 -0.2430554 0.5000000), wk = 0.0039370 k( 89) = ( 0.2324877 -0.2324877 0.5000000), wk = 0.0039370 k( 90) = ( 0.2219201 -0.2219201 0.5000000), wk = 0.0039370 k( 91) = ( 0.2113525 -0.2113525 0.5000000), wk = 0.0039370 k( 92) = ( 0.2007848 -0.2007849 0.5000000), wk = 0.0039370 k( 93) = ( 0.1902172 -0.1902172 0.5000000), wk = 0.0039370 k( 94) = ( 0.1796496 -0.1796496 0.5000000), wk = 0.0039370 k( 95) = ( 0.1690820 -0.1690820 0.5000000), wk = 0.0039370 k( 96) = ( 0.1585144 -0.1585144 0.5000000), wk = 0.0039370 k( 97) = ( 0.1479467 -0.1479467 0.5000000), wk = 0.0039370 k( 98) = ( 0.1373791 -0.1373791 0.5000000), wk = 0.0039370 k( 99) = ( 0.1268115 -0.1268115 0.5000000), wk = 0.0039370 k( 100) = ( 0.1162439 -0.1162439 0.5000000), wk = 0.0039370 k( 101) = ( 0.1056762 -0.1056762 0.5000000), wk = 0.0039370 k( 102) = ( 0.0951086 -0.0951086 0.5000000), wk = 0.0039370 k( 103) = ( 0.0845410 -0.0845410 0.5000000), wk = 0.0039370 k( 104) = ( 0.0739734 -0.0739734 0.5000000), wk = 0.0039370 k( 105) = ( 0.0634057 -0.0634057 0.5000000), wk = 0.0039370 k( 106) = ( 0.0528381 -0.0528381 0.5000000), wk = 0.0039370 k( 107) = ( 0.0422705 -0.0422705 0.5000000), wk = 0.0039370 k( 108) = ( 0.0317029 -0.0317029 0.5000000), wk = 0.0039370 k( 109) = ( 0.0211353 -0.0211353 0.5000000), wk = 0.0039370 k( 110) = ( 0.0105676 -0.0105676 0.5000000), wk = 0.0039370 k( 111) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 112) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 113) = ( 0.0152457 0.0152457 0.5082464), wk = 0.0039370 k( 114) = ( 0.0304914 0.0304914 0.5164929), wk = 0.0039370 k( 115) = ( 0.0457371 0.0457371 0.5247393), wk = 0.0039370 k( 116) = ( 0.0609828 0.0609828 0.5329858), wk = 0.0039370 k( 117) = ( 0.0762285 0.0762285 0.5412322), wk = 0.0039370 k( 118) = ( 0.0914742 0.0914742 0.5494786), wk = 0.0039370 k( 119) = ( 0.1067199 0.1067199 0.5577251), wk = 0.0039370 k( 120) = ( 0.1219655 0.1219655 0.5659715), wk = 0.0039370 k( 121) = ( 0.1372112 0.1372112 0.5742179), wk = 0.0039370 k( 122) = ( 0.1524569 0.1524569 0.5824644), wk = 0.0039370 k( 123) = ( 0.1677026 0.1677026 0.5907108), wk = 0.0039370 k( 124) = ( 0.1829483 0.1829483 0.5989572), wk = 0.0039370 k( 125) = ( 0.1981940 0.1981940 0.6072037), wk = 0.0039370 k( 126) = ( 0.2134397 0.2134397 0.6154501), wk = 0.0039370 k( 127) = ( 0.2286854 0.2286854 0.6236966), wk = 0.0039370 k( 128) = ( 0.2439311 0.2439311 0.6319430), wk = 0.0039370 k( 129) = ( 0.2591768 0.2591768 0.6401894), wk = 0.0039370 k( 130) = ( 0.2744225 0.2744225 0.6484359), wk = 0.0039370 k( 131) = ( 0.2896682 0.2896682 0.6566823), wk = 0.0039370 k( 132) = ( 0.3049139 0.3049139 0.6649287), wk = 0.0039370 k( 133) = ( 0.3201596 0.3201596 0.6731752), wk = 0.0039370 k( 134) = ( 0.3354052 0.3354053 0.6814216), wk = 0.0039370 k( 135) = ( 0.3506509 0.3506509 0.6896681), wk = 0.0039370 k( 136) = ( 0.3658966 0.3658966 0.6979145), wk = 0.0039370 k( 137) = ( 0.3811423 0.3811423 0.7061609), wk = 0.0039370 k( 138) = ( 0.3963880 0.3963880 0.7144074), wk = 0.0039370 k( 139) = ( 0.4116337 0.4116337 0.7226538), wk = 0.0039370 k( 140) = ( 0.4268794 0.4268794 0.7309003), wk = 0.0039370 k( 141) = ( 0.4421251 0.4421251 0.7391467), wk = 0.0039370 k( 142) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 143) = ( 0.5100459 0.4899541 -0.0000000), wk = 0.0039370 k( 144) = ( 0.5200918 0.4799082 -0.0000000), wk = 0.0039370 k( 145) = ( 0.5301376 0.4698624 -0.0000000), wk = 0.0039370 k( 146) = ( 0.5401835 0.4598165 0.0000000), wk = 0.0039370 k( 147) = ( 0.5502294 0.4497706 -0.0000000), wk = 0.0039370 k( 148) = ( 0.5602753 0.4397247 0.0000000), wk = 0.0039370 k( 149) = ( 0.5703212 0.4296788 -0.0000000), wk = 0.0039370 k( 150) = ( 0.5803670 0.4196330 -0.0000000), wk = 0.0039370 k( 151) = ( 0.5904129 0.4095871 -0.0000000), wk = 0.0039370 k( 152) = ( 0.6004588 0.3995412 0.0000000), wk = 0.0039370 k( 153) = ( 0.6105047 0.3894953 -0.0000000), wk = 0.0039370 k( 154) = ( 0.3894953 -0.3894953 -0.0000000), wk = 0.0039370 k( 155) = ( 0.3786760 -0.3786760 -0.0000000), wk = 0.0039370 k( 156) = ( 0.3678567 -0.3678567 0.0000000), wk = 0.0039370 k( 157) = ( 0.3570374 -0.3570374 -0.0000000), wk = 0.0039370 k( 158) = ( 0.3462181 -0.3462181 0.0000000), wk = 0.0039370 k( 159) = ( 0.3353988 -0.3353988 -0.0000000), wk = 0.0039370 k( 160) = ( 0.3245794 -0.3245794 0.0000000), wk = 0.0039370 k( 161) = ( 0.3137601 -0.3137601 -0.0000000), wk = 0.0039370 k( 162) = ( 0.3029408 -0.3029408 -0.0000000), wk = 0.0039370 k( 163) = ( 0.2921215 -0.2921215 -0.0000000), wk = 0.0039370 k( 164) = ( 0.2813022 -0.2813022 -0.0000000), wk = 0.0039370 k( 165) = ( 0.2704829 -0.2704829 -0.0000000), wk = 0.0039370 k( 166) = ( 0.2596636 -0.2596636 -0.0000000), wk = 0.0039370 k( 167) = ( 0.2488442 -0.2488442 -0.0000000), wk = 0.0039370 k( 168) = ( 0.2380249 -0.2380249 -0.0000000), wk = 0.0039370 k( 169) = ( 0.2272056 -0.2272056 -0.0000000), wk = 0.0039370 k( 170) = ( 0.2163863 -0.2163863 0.0000000), wk = 0.0039370 k( 171) = ( 0.2055670 -0.2055670 -0.0000000), wk = 0.0039370 k( 172) = ( 0.1947477 -0.1947477 -0.0000000), wk = 0.0039370 k( 173) = ( 0.1839283 -0.1839283 0.0000000), wk = 0.0039370 k( 174) = ( 0.1731090 -0.1731090 -0.0000000), wk = 0.0039370 k( 175) = ( 0.1622897 -0.1622897 0.0000000), wk = 0.0039370 k( 176) = ( 0.1514704 -0.1514704 -0.0000000), wk = 0.0039370 k( 177) = ( 0.1406511 -0.1406511 -0.0000000), wk = 0.0039370 k( 178) = ( 0.1298318 -0.1298318 -0.0000000), wk = 0.0039370 k( 179) = ( 0.1190125 -0.1190125 -0.0000000), wk = 0.0039370 k( 180) = ( 0.1081932 -0.1081932 -0.0000000), wk = 0.0039370 k( 181) = ( 0.0973738 -0.0973738 -0.0000000), wk = 0.0039370 k( 182) = ( 0.0865545 -0.0865545 -0.0000000), wk = 0.0039370 k( 183) = ( 0.0757352 -0.0757352 -0.0000000), wk = 0.0039370 k( 184) = ( 0.0649159 -0.0649159 -0.0000000), wk = 0.0039370 k( 185) = ( 0.0540966 -0.0540966 -0.0000000), wk = 0.0039370 k( 186) = ( 0.0432773 -0.0432773 -0.0000000), wk = 0.0039370 k( 187) = ( 0.0324579 -0.0324579 -0.0000000), wk = 0.0039370 k( 188) = ( 0.0216386 -0.0216386 -0.0000000), wk = 0.0039370 k( 189) = ( 0.0108193 -0.0108193 0.0000000), wk = 0.0039370 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 192) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0039370 k( 193) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0039370 k( 194) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0039370 k( 195) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0039370 k( 196) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0039370 k( 197) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0039370 k( 198) = ( 0.1206897 0.0000000 -0.0000000), wk = 0.0039370 k( 199) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0039370 k( 200) = ( 0.1551724 0.0000000 -0.0000000), wk = 0.0039370 k( 201) = ( 0.1724138 0.0000000 -0.0000000), wk = 0.0039370 k( 202) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0039370 k( 203) = ( 0.2068966 0.0000000 -0.0000000), wk = 0.0039370 k( 204) = ( 0.2241379 0.0000000 -0.0000000), wk = 0.0039370 k( 205) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0039370 k( 206) = ( 0.2586207 0.0000000 -0.0000000), wk = 0.0039370 k( 207) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0039370 k( 208) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0039370 k( 209) = ( 0.3103448 0.0000000 -0.0000000), wk = 0.0039370 k( 210) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0039370 k( 211) = ( 0.3448276 -0.0000000 0.0000000), wk = 0.0039370 k( 212) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0039370 k( 213) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0039370 k( 214) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0039370 k( 215) = ( 0.4137931 0.0000000 -0.0000000), wk = 0.0039370 k( 216) = ( 0.4310345 0.0000000 -0.0000000), wk = 0.0039370 k( 217) = ( 0.4482759 0.0000000 -0.0000000), wk = 0.0039370 k( 218) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0039370 k( 219) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0039370 k( 220) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0039370 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 k( 222) = ( 0.4848485 0.0000000 0.4848485), wk = 0.0039370 k( 223) = ( 0.4696970 -0.0000000 0.4696970), wk = 0.0039370 k( 224) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0039370 k( 225) = ( 0.4393939 -0.0000000 0.4393939), wk = 0.0039370 k( 226) = ( 0.4242424 0.0000000 0.4242424), wk = 0.0039370 k( 227) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0039370 k( 228) = ( 0.3939394 0.0000000 0.3939394), wk = 0.0039370 k( 229) = ( 0.3787879 0.0000000 0.3787879), wk = 0.0039370 k( 230) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0039370 k( 231) = ( 0.3484849 -0.0000000 0.3484849), wk = 0.0039370 k( 232) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0039370 k( 233) = ( 0.3181818 -0.0000000 0.3181818), wk = 0.0039370 k( 234) = ( 0.3030303 0.0000000 0.3030303), wk = 0.0039370 k( 235) = ( 0.2878788 -0.0000000 0.2878788), wk = 0.0039370 k( 236) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0039370 k( 237) = ( 0.2575758 -0.0000000 0.2575758), wk = 0.0039370 k( 238) = ( 0.2424242 0.0000000 0.2424242), wk = 0.0039370 k( 239) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0039370 k( 240) = ( 0.2121212 0.0000000 0.2121212), wk = 0.0039370 k( 241) = ( 0.1969697 -0.0000000 0.1969697), wk = 0.0039370 k( 242) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0039370 k( 243) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0039370 k( 244) = ( 0.1515151 0.0000000 0.1515151), wk = 0.0039370 k( 245) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0039370 k( 246) = ( 0.1212121 0.0000000 0.1212121), wk = 0.0039370 k( 247) = ( 0.1060606 0.0000000 0.1060606), wk = 0.0039370 k( 248) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0039370 k( 249) = ( 0.0757576 -0.0000000 0.0757576), wk = 0.0039370 k( 250) = ( 0.0606061 0.0000000 0.0606061), wk = 0.0039370 k( 251) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0039370 k( 252) = ( 0.0303030 0.0000000 0.0303030), wk = 0.0039370 k( 253) = ( 0.0151515 0.0000000 0.0151515), wk = 0.0039370 k( 254) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 Dense grid: 100727 G-vectors FFT dimensions: ( 60, 60, 72) Smooth grid: 38713 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 148, 68) NL pseudopotentials 0.38 Mb ( 74, 340) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1397) G-vector shells 0.01 Mb ( 1397) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 148, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.71 Mb ( 340, 2, 68) The potential is recalculated from file : ./Sb2Te3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.0 secs Computing kpt #: 4 total cpu time spent up to now is 9.9 secs Computing kpt #: 5 total cpu time spent up to now is 11.9 secs Computing kpt #: 6 total cpu time spent up to now is 13.7 secs Computing kpt #: 7 total cpu time spent up to now is 16.0 secs Computing kpt #: 8 total cpu time spent up to now is 18.3 secs Computing kpt #: 9 total cpu time spent up to now is 20.7 secs Computing kpt #: 10 total cpu time spent up to now is 23.1 secs Computing kpt #: 11 total cpu time spent up to now is 25.2 secs Computing kpt #: 12 total cpu time spent up to now is 27.2 secs Computing kpt #: 13 total cpu time spent up to now is 29.1 secs Computing kpt #: 14 total cpu time spent up to now is 31.2 secs Computing kpt #: 15 total cpu time spent up to now is 33.2 secs Computing kpt #: 16 total cpu time spent up to now is 35.3 secs Computing kpt #: 17 total cpu time spent up to now is 37.0 secs Computing kpt #: 18 total cpu time spent up to now is 38.6 secs Computing kpt #: 19 total cpu time spent up to now is 40.0 secs Computing kpt #: 20 total cpu time spent up to now is 41.5 secs Computing kpt #: 21 total cpu time spent up to now is 42.8 secs Computing kpt #: 22 total cpu time spent up to now is 44.2 secs Computing kpt #: 23 total cpu time spent up to now is 45.7 secs Computing kpt #: 24 total cpu time spent up to now is 47.1 secs Computing kpt #: 25 total cpu time spent up to now is 49.2 secs Computing kpt #: 26 total cpu time spent up to now is 50.7 secs Computing kpt #: 27 total cpu time spent up to now is 52.3 secs Computing kpt #: 28 total cpu time spent up to now is 54.1 secs Computing kpt #: 29 total cpu time spent up to now is 55.8 secs Computing kpt #: 30 total cpu time spent up to now is 57.4 secs Computing kpt #: 31 total cpu time spent up to now is 58.9 secs Computing kpt #: 32 total cpu time spent up to now is 60.7 secs Computing kpt #: 33 total cpu time spent up to now is 62.2 secs Computing kpt #: 34 total cpu time spent up to now is 63.8 secs Computing kpt #: 35 total cpu time spent up to now is 65.4 secs Computing kpt #: 36 total cpu time spent up to now is 67.1 secs Computing kpt #: 37 total cpu time spent up to now is 68.6 secs Computing kpt #: 38 total cpu time spent up to now is 70.3 secs Computing kpt #: 39 total cpu time spent up to now is 72.0 secs Computing kpt #: 40 total cpu time spent up to now is 73.8 secs Computing kpt #: 41 total cpu time spent up to now is 75.5 secs Computing kpt #: 42 total cpu time spent up to now is 77.4 secs Computing kpt #: 43 total cpu time spent up to now is 79.2 secs Computing kpt #: 44 total cpu time spent up to now is 80.9 secs Computing kpt #: 45 total cpu time spent up to now is 82.6 secs Computing kpt #: 46 total cpu time spent up to now is 84.0 secs Computing kpt #: 47 total cpu time spent up to now is 85.5 secs Computing kpt #: 48 total cpu time spent up to now is 87.0 secs Computing kpt #: 49 total cpu time spent up to now is 88.3 secs Computing kpt #: 50 total cpu time spent up to now is 89.8 secs Computing kpt #: 51 total cpu time spent up to now is 91.3 secs Computing kpt #: 52 total cpu time spent up to now is 92.9 secs Computing kpt #: 53 total cpu time spent up to now is 94.4 secs Computing kpt #: 54 total cpu time spent up to now is 95.7 secs Computing kpt #: 55 total cpu time spent up to now is 97.4 secs Computing kpt #: 56 total cpu time spent up to now is 98.7 secs Computing kpt #: 57 total cpu time spent up to now is 100.1 secs Computing kpt #: 58 total cpu time spent up to now is 101.4 secs Computing kpt #: 59 total cpu time spent up to now is 102.6 secs Computing kpt #: 60 total cpu time spent up to now is 104.0 secs Computing kpt #: 61 total cpu time spent up to now is 105.3 secs Computing kpt #: 62 total cpu time spent up to now is 106.4 secs Computing kpt #: 63 total cpu time spent up to now is 107.6 secs Computing kpt #: 64 total cpu time spent up to now is 109.0 secs Computing kpt #: 65 total cpu time spent up to now is 110.4 secs Computing kpt #: 66 total cpu time spent up to now is 111.6 secs Computing kpt #: 67 total cpu time spent up to now is 112.9 secs Computing kpt #: 68 total cpu time spent up to now is 114.2 secs Computing kpt #: 69 total cpu time spent up to now is 115.5 secs Computing kpt #: 70 total cpu time spent up to now is 116.9 secs Computing kpt #: 71 total cpu time spent up to now is 118.4 secs Computing kpt #: 72 total cpu time spent up to now is 119.9 secs Computing kpt #: 73 total cpu time spent up to now is 121.4 secs Computing kpt #: 74 total cpu time spent up to now is 122.8 secs Computing kpt #: 75 total cpu time spent up to now is 124.2 secs Computing kpt #: 76 total cpu time spent up to now is 125.5 secs Computing kpt #: 77 total cpu time spent up to now is 127.0 secs Computing kpt #: 78 total cpu time spent up to now is 128.4 secs Computing kpt #: 79 total cpu time spent up to now is 130.1 secs Computing kpt #: 80 total cpu time spent up to now is 131.8 secs Computing kpt #: 81 total cpu time spent up to now is 133.5 secs Computing kpt #: 82 total cpu time spent up to now is 135.1 secs Computing kpt #: 83 total cpu time spent up to now is 136.8 secs Computing kpt #: 84 total cpu time spent up to now is 138.5 secs Computing kpt #: 85 total cpu time spent up to now is 140.1 secs Computing kpt #: 86 total cpu time spent up to now is 141.9 secs Computing kpt #: 87 total cpu time spent up to now is 143.8 secs Computing kpt #: 88 total cpu time spent up to now is 145.4 secs Computing kpt #: 89 total cpu time spent up to now is 147.2 secs Computing kpt #: 90 total cpu time spent up to now is 149.0 secs Computing kpt #: 91 total cpu time spent up to now is 150.6 secs Computing kpt #: 92 total cpu time spent up to now is 152.1 secs Computing kpt #: 93 total cpu time spent up to now is 153.7 secs Computing kpt #: 94 total cpu time spent up to now is 155.3 secs Computing kpt #: 95 total cpu time spent up to now is 156.8 secs Computing kpt #: 96 total cpu time spent up to now is 158.1 secs Computing kpt #: 97 total cpu time spent up to now is 159.5 secs Computing kpt #: 98 total cpu time spent up to now is 161.0 secs Computing kpt #: 99 total cpu time spent up to now is 162.4 secs Computing kpt #: 100 total cpu time spent up to now is 163.8 secs Computing kpt #: 101 total cpu time spent up to now is 165.1 secs Computing kpt #: 102 total cpu time spent up to now is 166.6 secs Computing kpt #: 103 total cpu time spent up to now is 168.2 secs Computing kpt #: 104 total cpu time spent up to now is 169.9 secs Computing kpt #: 105 total cpu time spent up to now is 171.5 secs Computing kpt #: 106 total cpu time spent up to now is 173.3 secs Computing kpt #: 107 total cpu time spent up to now is 175.0 secs Computing kpt #: 108 total cpu time spent up to now is 177.1 secs Computing kpt #: 109 total cpu time spent up to now is 178.9 secs Computing kpt #: 110 total cpu time spent up to now is 180.7 secs Computing kpt #: 111 total cpu time spent up to now is 182.7 secs Computing kpt #: 112 total cpu time spent up to now is 184.5 secs Computing kpt #: 113 total cpu time spent up to now is 186.4 secs Computing kpt #: 114 total cpu time spent up to now is 188.4 secs Computing kpt #: 115 total cpu time spent up to now is 190.8 secs Computing kpt #: 116 total cpu time spent up to now is 193.0 secs Computing kpt #: 117 total cpu time spent up to now is 194.6 secs Computing kpt #: 118 total cpu time spent up to now is 196.9 secs Computing kpt #: 119 total cpu time spent up to now is 199.2 secs Computing kpt #: 120 total cpu time spent up to now is 201.4 secs Computing kpt #: 121 total cpu time spent up to now is 203.7 secs Computing kpt #: 122 total cpu time spent up to now is 205.6 secs Computing kpt #: 123 total cpu time spent up to now is 207.4 secs Computing kpt #: 124 total cpu time spent up to now is 208.7 secs Computing kpt #: 125 total cpu time spent up to now is 210.3 secs Computing kpt #: 126 total cpu time spent up to now is 211.7 secs Computing kpt #: 127 total cpu time spent up to now is 213.3 secs Computing kpt #: 128 total cpu time spent up to now is 214.9 secs Computing kpt #: 129 total cpu time spent up to now is 216.6 secs Computing kpt #: 130 total cpu time spent up to now is 218.4 secs Computing kpt #: 131 total cpu time spent up to now is 220.1 secs Computing kpt #: 132 total cpu time spent up to now is 221.8 secs Computing kpt #: 133 total cpu time spent up to now is 224.1 secs Computing kpt #: 134 total cpu time spent up to now is 226.7 secs Computing kpt #: 135 total cpu time spent up to now is 228.6 secs Computing kpt #: 136 total cpu time spent up to now is 230.1 secs Computing kpt #: 137 total cpu time spent up to now is 231.6 secs Computing kpt #: 138 total cpu time spent up to now is 233.2 secs Computing kpt #: 139 total cpu time spent up to now is 234.7 secs Computing kpt #: 140 total cpu time spent up to now is 236.3 secs Computing kpt #: 141 total cpu time spent up to now is 237.6 secs Computing kpt #: 142 total cpu time spent up to now is 239.0 secs Computing kpt #: 143 total cpu time spent up to now is 240.5 secs Computing kpt #: 144 total cpu time spent up to now is 242.0 secs Computing kpt #: 145 total cpu time spent up to now is 243.5 secs Computing kpt #: 146 total cpu time spent up to now is 245.0 secs Computing kpt #: 147 total cpu time spent up to now is 246.3 secs Computing kpt #: 148 total cpu time spent up to now is 247.7 secs Computing kpt #: 149 total cpu time spent up to now is 249.0 secs Computing kpt #: 150 total cpu time spent up to now is 250.4 secs Computing kpt #: 151 total cpu time spent up to now is 251.6 secs Computing kpt #: 152 total cpu time spent up to now is 253.5 secs Computing kpt #: 153 total cpu time spent up to now is 254.7 secs Computing kpt #: 154 total cpu time spent up to now is 256.0 secs Computing kpt #: 155 total cpu time spent up to now is 257.2 secs Computing kpt #: 156 total cpu time spent up to now is 258.5 secs Computing kpt #: 157 total cpu time spent up to now is 259.7 secs Computing kpt #: 158 total cpu time spent up to now is 260.9 secs Computing kpt #: 159 total cpu time spent up to now is 262.0 secs Computing kpt #: 160 total cpu time spent up to now is 263.4 secs Computing kpt #: 161 total cpu time spent up to now is 264.6 secs Computing kpt #: 162 total cpu time spent up to now is 265.9 secs Computing kpt #: 163 total cpu time spent up to now is 267.4 secs Computing kpt #: 164 total cpu time spent up to now is 268.8 secs Computing kpt #: 165 total cpu time spent up to now is 270.4 secs Computing kpt #: 166 total cpu time spent up to now is 271.8 secs Computing kpt #: 167 total cpu time spent up to now is 273.2 secs Computing kpt #: 168 total cpu time spent up to now is 274.5 secs Computing kpt #: 169 total cpu time spent up to now is 276.1 secs Computing kpt #: 170 total cpu time spent up to now is 277.6 secs Computing kpt #: 171 total cpu time spent up to now is 279.1 secs Computing kpt #: 172 total cpu time spent up to now is 280.6 secs Computing kpt #: 173 total cpu time spent up to now is 282.3 secs Computing kpt #: 174 total cpu time spent up to now is 284.3 secs Computing kpt #: 175 total cpu time spent up to now is 286.3 secs Computing kpt #: 176 total cpu time spent up to now is 289.7 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.6 secs Computing kpt #: 178 total cpu time spent up to now is 296.8 secs Computing kpt #: 179 total cpu time spent up to now is 299.2 secs Computing kpt #: 180 total cpu time spent up to now is 301.8 secs Computing kpt #: 181 total cpu time spent up to now is 303.9 secs Computing kpt #: 182 total cpu time spent up to now is 306.3 secs Computing kpt #: 183 total cpu time spent up to now is 308.8 secs Computing kpt #: 184 total cpu time spent up to now is 311.1 secs Computing kpt #: 185 total cpu time spent up to now is 313.4 secs Computing kpt #: 186 total cpu time spent up to now is 315.5 secs Computing kpt #: 187 total cpu time spent up to now is 317.3 secs Computing kpt #: 188 total cpu time spent up to now is 319.2 secs Computing kpt #: 189 total cpu time spent up to now is 321.2 secs Computing kpt #: 190 total cpu time spent up to now is 323.0 secs Computing kpt #: 191 total cpu time spent up to now is 324.9 secs Computing kpt #: 192 total cpu time spent up to now is 326.8 secs Computing kpt #: 193 total cpu time spent up to now is 328.5 secs Computing kpt #: 194 total cpu time spent up to now is 330.3 secs Computing kpt #: 195 total cpu time spent up to now is 332.2 secs Computing kpt #: 196 total cpu time spent up to now is 334.3 secs Computing kpt #: 197 total cpu time spent up to now is 336.5 secs Computing kpt #: 198 total cpu time spent up to now is 338.8 secs Computing kpt #: 199 total cpu time spent up to now is 342.1 secs Computing kpt #: 200 total cpu time spent up to now is 344.6 secs Computing kpt #: 201 total cpu time spent up to now is 347.1 secs Computing kpt #: 202 total cpu time spent up to now is 349.3 secs Computing kpt #: 203 total cpu time spent up to now is 351.5 secs Computing kpt #: 204 total cpu time spent up to now is 354.0 secs Computing kpt #: 205 total cpu time spent up to now is 356.5 secs Computing kpt #: 206 total cpu time spent up to now is 359.8 secs Computing kpt #: 207 total cpu time spent up to now is 362.0 secs Computing kpt #: 208 total cpu time spent up to now is 363.6 secs Computing kpt #: 209 total cpu time spent up to now is 365.0 secs Computing kpt #: 210 total cpu time spent up to now is 366.5 secs Computing kpt #: 211 total cpu time spent up to now is 368.0 secs Computing kpt #: 212 total cpu time spent up to now is 369.5 secs Computing kpt #: 213 total cpu time spent up to now is 371.2 secs Computing kpt #: 214 total cpu time spent up to now is 372.9 secs Computing kpt #: 215 total cpu time spent up to now is 374.4 secs Computing kpt #: 216 total cpu time spent up to now is 375.9 secs Computing kpt #: 217 total cpu time spent up to now is 377.3 secs Computing kpt #: 218 total cpu time spent up to now is 378.7 secs Computing kpt #: 219 total cpu time spent up to now is 379.9 secs Computing kpt #: 220 total cpu time spent up to now is 381.1 secs Computing kpt #: 221 total cpu time spent up to now is 382.6 secs Computing kpt #: 222 total cpu time spent up to now is 384.1 secs Computing kpt #: 223 total cpu time spent up to now is 385.7 secs Computing kpt #: 224 total cpu time spent up to now is 387.2 secs Computing kpt #: 225 total cpu time spent up to now is 388.9 secs Computing kpt #: 226 total cpu time spent up to now is 390.5 secs Computing kpt #: 227 total cpu time spent up to now is 392.1 secs Computing kpt #: 228 total cpu time spent up to now is 393.9 secs Computing kpt #: 229 total cpu time spent up to now is 395.7 secs Computing kpt #: 230 total cpu time spent up to now is 397.8 secs Computing kpt #: 231 total cpu time spent up to now is 399.8 secs Computing kpt #: 232 total cpu time spent up to now is 401.6 secs Computing kpt #: 233 total cpu time spent up to now is 403.3 secs Computing kpt #: 234 total cpu time spent up to now is 405.0 secs Computing kpt #: 235 total cpu time spent up to now is 407.4 secs Computing kpt #: 236 total cpu time spent up to now is 409.7 secs Computing kpt #: 237 total cpu time spent up to now is 411.9 secs Computing kpt #: 238 total cpu time spent up to now is 414.0 secs Computing kpt #: 239 total cpu time spent up to now is 416.5 secs Computing kpt #: 240 total cpu time spent up to now is 418.9 secs Computing kpt #: 241 total cpu time spent up to now is 421.3 secs Computing kpt #: 242 total cpu time spent up to now is 423.3 secs Computing kpt #: 243 total cpu time spent up to now is 425.5 secs Computing kpt #: 244 total cpu time spent up to now is 427.5 secs Computing kpt #: 245 total cpu time spent up to now is 429.6 secs Computing kpt #: 246 total cpu time spent up to now is 431.9 secs Computing kpt #: 247 total cpu time spent up to now is 434.2 secs Computing kpt #: 248 total cpu time spent up to now is 436.2 secs Computing kpt #: 249 total cpu time spent up to now is 438.1 secs Computing kpt #: 250 total cpu time spent up to now is 440.0 secs Computing kpt #: 251 total cpu time spent up to now is 441.8 secs Computing kpt #: 252 total cpu time spent up to now is 443.6 secs Computing kpt #: 253 total cpu time spent up to now is 445.3 secs Computing kpt #: 254 total cpu time spent up to now is 447.2 secs ethr = 1.79E-08, avg # of iterations = 32.2 total cpu time spent up to now is 447.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4837 PWs) bands (ev): -4.9307 -4.9307 -2.2629 -2.2629 -2.2233 -2.2233 -1.4056 -1.4056 -1.2524 -1.2524 -0.4906 -0.4906 0.5426 0.5426 1.3485 1.3485 1.9789 1.9789 2.1116 2.1116 3.3966 3.3966 3.7716 3.7716 3.9411 3.9411 4.0316 4.0316 4.1319 4.1319 5.5017 5.5017 5.5087 5.5087 5.6746 5.6746 6.0149 6.0149 7.3966 7.3966 8.1011 8.1011 8.3093 8.3093 8.5858 8.5858 9.3382 9.3382 9.5366 9.5366 9.5658 9.5658 9.8931 9.8931 10.3708 10.3708 10.9949 10.9949 11.7991 11.7991 12.3712 12.3712 12.5738 12.5738 13.4438 13.4438 13.5627 13.5627 k = 0.0143 0.0100-0.0064 ( 4833 PWs) bands (ev): -4.9293 -4.9293 -2.2791 -2.2791 -2.2059 -2.2059 -1.4069 -1.4069 -1.2547 -1.2547 -0.4908 -0.4908 0.5434 0.5434 1.3415 1.3415 1.9333 1.9333 2.1503 2.1503 3.4027 3.4027 3.7723 3.7723 3.9424 3.9424 4.0391 4.0391 4.1403 4.1403 5.4463 5.4463 5.5040 5.5040 5.7172 5.7172 6.0457 6.0457 7.3914 7.3914 8.0985 8.0985 8.3146 8.3146 8.5853 8.5853 9.3400 9.3400 9.5078 9.5078 9.5695 9.5695 9.8681 9.8681 10.4255 10.4255 10.9946 10.9946 11.7991 11.7991 12.3698 12.3698 12.5722 12.5722 13.4411 13.4411 13.4816 13.4816 k = 0.0286 0.0200-0.0129 ( 4837 PWs) bands (ev): -4.9253 -4.9253 -2.3053 -2.3053 -2.1760 -2.1760 -1.4107 -1.4107 -1.2615 -1.2615 -0.4916 -0.4916 0.5456 0.5456 1.3208 1.3208 1.8483 1.8483 2.2147 2.2147 3.4209 3.4209 3.7751 3.7751 3.9465 3.9465 4.0603 4.0603 4.1651 4.1651 5.3709 5.3709 5.4501 5.4501 5.8093 5.8093 6.1230 6.1230 7.3764 7.3764 8.0907 8.0907 8.3297 8.3297 8.5847 8.5847 9.3266 9.3266 9.4439 9.4439 9.5772 9.5772 9.8307 9.8307 10.5505 10.5505 10.9936 10.9936 11.7989 11.7989 12.3660 12.3660 12.5675 12.5675 13.3388 13.3388 13.4350 13.4350 k = 0.0429 0.0300-0.0193 ( 4838 PWs) bands (ev): -4.9186 -4.9186 -2.3317 -2.3317 -2.1435 -2.1435 -1.4169 -1.4169 -1.2727 -1.2727 -0.4933 -0.4933 0.5492 0.5492 1.2875 1.2875 1.7526 1.7526 2.2770 2.2770 3.4502 3.4502 3.7811 3.7811 3.9541 3.9541 4.0917 4.0917 4.2053 4.2053 5.2931 5.2931 5.3844 5.3844 5.9193 5.9193 6.2252 6.2252 7.3528 7.3528 8.0777 8.0777 8.3518 8.3518 8.5869 8.5869 9.2254 9.2254 9.4286 9.4286 9.5905 9.5905 9.8115 9.8115 10.6979 10.6979 10.9925 10.9925 11.7985 11.7985 12.3608 12.3608 12.5596 12.5596 13.1812 13.1812 13.4233 13.4233 k = 0.0571 0.0400-0.0258 ( 4842 PWs) bands (ev): -4.9091 -4.9091 -2.3570 -2.3570 -2.1099 -2.1099 -1.4253 -1.4253 -1.2878 -1.2878 -0.4964 -0.4964 0.5541 0.5541 1.2430 1.2430 1.6523 1.6523 2.3327 2.3327 3.4894 3.4894 3.7916 3.7916 3.9651 3.9651 4.1291 4.1291 4.2592 4.2592 5.2109 5.2109 5.3322 5.3322 6.0386 6.0386 6.3402 6.3402 7.3223 7.3223 8.0597 8.0597 8.3770 8.3770 8.5958 8.5958 9.0644 9.0644 9.4507 9.4507 9.6130 9.6130 9.8081 9.8081 10.8410 10.8410 10.9934 10.9934 11.7976 11.7976 12.3565 12.3565 12.5487 12.5487 13.0161 13.0161 13.4072 13.4072 k = 0.0714 0.0501-0.0322 ( 4833 PWs) bands (ev): -4.8970 -4.8970 -2.3808 -2.3808 -2.0756 -2.0756 -1.4357 -1.4357 -1.3067 -1.3067 -0.5016 -0.5016 0.5603 0.5603 1.1891 1.1891 1.5501 1.5501 2.3807 2.3807 3.5370 3.5370 3.8075 3.8075 3.9793 3.9793 4.1680 4.1680 4.3247 4.3247 5.1244 5.1244 5.3058 5.3058 6.1642 6.1642 6.4624 6.4624 7.2870 7.2870 8.0367 8.0367 8.4012 8.4012 8.6147 8.6147 8.8862 8.8862 9.4775 9.4775 9.6483 9.6483 9.8138 9.8138 10.9428 10.9428 11.0186 11.0186 11.7959 11.7959 12.3560 12.3560 12.5345 12.5345 12.8486 12.8486 13.3864 13.3864 k = 0.0857 0.0601-0.0387 ( 4845 PWs) bands (ev): -4.8822 -4.8822 -2.4031 -2.4031 -2.0411 -2.0411 -1.4477 -1.4477 -1.3288 -1.3288 -0.5098 -0.5098 0.5674 0.5674 1.1275 1.1275 1.4482 1.4482 2.4207 2.4207 3.5916 3.5916 3.8297 3.8297 3.9960 3.9960 4.2052 4.2052 4.3981 4.3981 5.0393 5.0393 5.3079 5.3079 6.2946 6.2946 6.5889 6.5889 7.2486 7.2486 8.0089 8.0089 8.4214 8.4214 8.6328 8.6328 8.7163 8.7163 9.5012 9.5012 9.6977 9.6977 9.8254 9.8254 10.9591 10.9591 11.0985 11.0985 11.7929 11.7929 12.3581 12.3581 12.5163 12.5163 12.6896 12.6896 13.3606 13.3606 k = 0.1000 0.0701-0.0451 ( 4848 PWs) bands (ev): -4.8648 -4.8648 -2.4236 -2.4236 -2.0068 -2.0068 -1.4607 -1.4607 -1.3537 -1.3537 -0.5220 -0.5220 0.5755 0.5755 1.0602 1.0602 1.3485 1.3485 2.4526 2.4526 3.6519 3.6519 3.8584 3.8584 4.0141 4.0141 4.2392 4.2392 4.4725 4.4725 4.9645 4.9645 5.3388 5.3388 6.4288 6.4288 6.7174 6.7174 7.2091 7.2091 7.9770 7.9770 8.4304 8.4304 8.5094 8.5094 8.7075 8.7075 9.5211 9.5211 9.7587 9.7587 9.8412 9.8412 10.9531 10.9531 11.1582 11.1582 11.7883 11.7883 12.3336 12.3336 12.4865 12.4865 12.5833 12.5833 13.3275 13.3275 k = 0.1143 0.0801-0.0515 ( 4843 PWs) bands (ev): -4.8447 -4.8447 -2.4424 -2.4424 -1.9734 -1.9734 -1.4743 -1.4743 -1.3810 -1.3810 -0.5391 -0.5391 0.5842 0.5842 0.9887 0.9887 1.2527 1.2527 2.4763 2.4763 3.7171 3.7171 3.8937 3.8937 4.0330 4.0330 4.2711 4.2711 4.5319 4.5319 4.9164 4.9164 5.3964 5.3964 6.5657 6.5657 6.8455 6.8455 7.1707 7.1707 7.9415 7.9415 8.3066 8.3066 8.4683 8.4683 8.7603 8.7603 9.5390 9.5390 9.8237 9.8237 9.8642 9.8642 10.9411 10.9411 11.1750 11.1750 11.7815 11.7815 12.2222 12.2222 12.4425 12.4425 12.5947 12.5947 13.2825 13.2825 k = 0.1286 0.0901-0.0580 ( 4837 PWs) bands (ev): -4.8219 -4.8219 -2.4594 -2.4594 -1.9413 -1.9413 -1.4878 -1.4878 -1.4103 -1.4103 -0.5622 -0.5622 0.5934 0.5934 0.9146 0.9146 1.1626 1.1626 2.4915 2.4915 3.7861 3.7861 3.9354 3.9354 4.0526 4.0526 4.3036 4.3036 4.5488 4.5488 4.9224 4.9224 5.4771 5.4771 6.7040 6.7040 6.9677 6.9677 7.1384 7.1384 7.9023 7.9023 8.1314 8.1314 8.4845 8.4845 8.8225 8.8225 9.5565 9.5565 9.8646 9.8646 9.9179 9.9179 10.9236 10.9236 11.1497 11.1497 11.7715 11.7715 12.0609 12.0609 12.3954 12.3954 12.6679 12.6679 13.2310 13.2310 k = 0.1429 0.1001-0.0644 ( 4836 PWs) bands (ev): -4.7966 -4.7966 -2.4746 -2.4746 -1.9116 -1.9116 -1.5002 -1.5002 -1.4412 -1.4412 -0.5923 -0.5923 0.6025 0.6025 0.8393 0.8393 1.0796 1.0796 2.4981 2.4981 3.8577 3.8577 3.9827 3.9827 4.0743 4.0743 4.3392 4.3392 4.5161 4.5161 4.9902 4.9902 5.5760 5.5760 6.8409 6.8409 7.0523 7.0523 7.1418 7.1418 7.8539 7.8539 7.9733 7.9733 8.5049 8.5049 8.8901 8.8901 9.5748 9.5748 9.8861 9.8861 9.9939 9.9939 10.8978 10.8978 11.0921 11.0921 11.7558 11.7558 11.8903 11.8903 12.3364 12.3364 12.7533 12.7533 13.1886 13.1886 k = 0.1571 0.1101-0.0709 ( 4833 PWs) bands (ev): -4.7687 -4.7687 -2.4880 -2.4880 -1.8852 -1.8852 -1.5107 -1.5107 -1.4735 -1.4735 -0.6299 -0.6299 0.6108 0.6108 0.7649 0.7649 1.0049 1.0049 2.4957 2.4957 3.9304 3.9304 4.0337 4.0337 4.1022 4.1022 4.3783 4.3783 4.4593 4.4593 5.0960 5.0960 5.6874 5.6874 6.9620 6.9620 7.0642 7.0642 7.2170 7.2170 7.7733 7.7733 7.8740 7.8740 8.5282 8.5282 8.9612 8.9612 9.5947 9.5947 9.9038 9.9038 10.0721 10.0721 10.8564 10.8564 11.0188 11.0188 11.6986 11.6986 11.7562 11.7562 12.2642 12.2642 12.8138 12.8138 13.1510 13.1510 k = 0.1714 0.1201-0.0773 ( 4837 PWs) bands (ev): -4.7382 -4.7382 -2.4995 -2.4995 -1.8632 -1.8632 -1.5182 -1.5182 -1.5067 -1.5067 -0.6757 -0.6757 0.6135 0.6135 0.6967 0.6967 0.9396 0.9396 2.4845 2.4845 4.0005 4.0005 4.0847 4.0847 4.1433 4.1433 4.3794 4.3794 4.4402 4.4402 5.2215 5.2215 5.8055 5.8055 6.9973 6.9973 7.1338 7.1338 7.2657 7.2657 7.7050 7.7050 7.8299 7.8299 8.5544 8.5544 9.0344 9.0344 9.6165 9.6165 9.9183 9.9183 10.1463 10.1463 10.7848 10.7848 10.9531 10.9531 11.5411 11.5411 11.7215 11.7215 12.1803 12.1803 12.8276 12.8276 13.0920 13.0920 k = 0.1857 0.1301-0.0837 ( 4836 PWs) bands (ev): -4.7052 -4.7052 -2.5092 -2.5092 -1.8469 -1.8469 -1.5415 -1.5415 -1.5209 -1.5209 -0.7296 -0.7296 0.5861 0.5861 0.6602 0.6602 0.8841 0.8841 2.4645 2.4645 4.0614 4.0614 4.1336 4.1336 4.2013 4.2013 4.3250 4.3250 4.4903 4.4903 5.3589 5.3589 5.9239 5.9239 6.9873 6.9873 7.1545 7.1545 7.3134 7.3134 7.7254 7.7254 7.8098 7.8098 8.5833 8.5833 9.1089 9.1089 9.6406 9.6406 9.9280 9.9280 10.2091 10.2091 10.6793 10.6793 10.9080 10.9080 11.3845 11.3845 11.6884 11.6884 12.0882 12.0882 12.8029 12.8029 13.0167 13.0167 k = 0.2000 0.1401-0.0902 ( 4837 PWs) bands (ev): -4.6698 -4.6698 -2.5171 -2.5171 -1.8371 -1.8371 -1.5765 -1.5765 -1.5192 -1.5192 -0.7913 -0.7913 0.5237 0.5237 0.6608 0.6608 0.8385 0.8385 2.4362 2.4362 4.1086 4.1086 4.1612 4.1612 4.2708 4.2708 4.3070 4.3070 4.5510 4.5510 5.5046 5.5046 6.0352 6.0352 6.9629 6.9629 7.0663 7.0663 7.4196 7.4196 7.7711 7.7711 7.8517 7.8517 8.6148 8.6148 9.1836 9.1836 9.6671 9.6671 9.9301 9.9301 10.2484 10.2484 10.5548 10.5548 10.8811 10.8811 11.2421 11.2421 11.6478 11.6478 11.9927 11.9927 12.7547 12.7547 12.9352 12.9352 k = 0.2143 0.1502-0.0966 ( 4841 PWs) bands (ev): -4.6319 -4.6319 -2.5232 -2.5232 -1.8338 -1.8338 -1.6123 -1.6123 -1.5125 -1.5125 -0.8600 -0.8600 0.4560 0.4560 0.6697 0.6697 0.8027 0.8027 2.4005 2.4005 4.1091 4.1091 4.1737 4.1737 4.3472 4.3472 4.3620 4.3620 4.6183 4.6183 5.6565 5.6565 6.1311 6.1311 6.8550 6.8550 7.0472 7.0472 7.5059 7.5059 7.8084 7.8084 7.9654 7.9654 8.6487 8.6487 9.2574 9.2574 9.6960 9.6960 9.9200 9.9200 10.2473 10.2473 10.4259 10.4259 10.8749 10.8749 11.1201 11.1201 11.5984 11.5984 11.8991 11.8991 12.6909 12.6909 12.8512 12.8512 k = 0.2286 0.1602-0.1031 ( 4843 PWs) bands (ev): -4.5916 -4.5916 -2.5277 -2.5277 -1.8364 -1.8364 -1.6489 -1.6489 -1.5019 -1.5019 -0.9346 -0.9346 0.3899 0.3899 0.6805 0.6805 0.7759 0.7759 2.3581 2.3581 4.0558 4.0558 4.2202 4.2202 4.4340 4.4340 4.4459 4.4459 4.6912 4.6912 5.8133 5.8133 6.2037 6.2037 6.7031 6.7031 7.0909 7.0909 7.5453 7.5453 7.8918 7.8918 8.0963 8.0963 8.6847 8.6847 9.3293 9.3293 9.7265 9.7265 9.8907 9.8907 10.1953 10.1953 10.3036 10.3036 10.8893 10.8893 11.0265 11.0265 11.5411 11.5411 11.8116 11.8116 12.6156 12.6156 12.7651 12.7651 k = 0.2429 0.1702-0.1095 ( 4841 PWs) bands (ev): -4.5491 -4.5491 -2.5304 -2.5304 -1.8437 -1.8437 -1.6863 -1.6863 -1.4887 -1.4887 -1.0137 -1.0137 0.3270 0.3270 0.6921 0.6921 0.7576 0.7576 2.3102 2.3102 3.9960 3.9960 4.2754 4.2754 4.5281 4.5281 4.5396 4.5396 4.7695 4.7695 5.9737 5.9737 6.2494 6.2494 6.5458 6.5458 7.1681 7.1681 7.5521 7.5521 8.0116 8.0116 8.2323 8.2323 8.7227 8.7227 9.3975 9.3975 9.7530 9.7530 9.8361 9.8361 10.1110 10.1110 10.1865 10.1865 10.8791 10.8791 11.0014 11.0014 11.4796 11.4796 11.7326 11.7326 12.5322 12.5322 12.6761 12.6761 k = 0.2571 0.1802-0.1160 ( 4838 PWs) bands (ev): -4.5043 -4.5043 -2.5316 -2.5316 -1.8543 -1.8543 -1.7250 -1.7250 -1.4746 -1.4746 -1.0956 -1.0956 0.2682 0.2682 0.7040 0.7040 0.7467 0.7467 2.2578 2.2578 3.9375 3.9375 4.3364 4.3364 4.6258 4.6258 4.6411 4.6411 4.8527 4.8527 6.1346 6.1346 6.2684 6.2684 6.3944 6.3944 7.2684 7.2684 7.5506 7.5506 8.1465 8.1465 8.3691 8.3691 8.7619 8.7619 9.4583 9.4583 9.7126 9.7126 9.8102 9.8102 10.0265 10.0265 10.0682 10.0682 10.8186 10.8186 11.0558 11.0558 11.4203 11.4203 11.6621 11.6621 12.4434 12.4434 12.5831 12.5831 k = 0.2714 0.1902-0.1224 ( 4842 PWs) bands (ev): -4.4574 -4.4574 -2.5313 -2.5313 -1.8672 -1.8672 -1.7652 -1.7652 -1.4609 -1.4609 -1.1787 -1.1787 0.2142 0.2142 0.7162 0.7162 0.7425 0.7425 2.2017 2.2017 3.8821 3.8821 4.4025 4.4025 4.7263 4.7263 4.7487 4.7487 4.9406 4.9406 6.2057 6.2057 6.2742 6.2742 6.3338 6.3338 7.3713 7.3713 7.5632 7.5632 8.2857 8.2857 8.5038 8.5038 8.8015 8.8015 9.4978 9.4978 9.5997 9.5997 9.8210 9.8210 9.9387 9.9387 9.9765 9.9765 10.7522 10.7522 11.1302 11.1302 11.3716 11.3716 11.5997 11.5997 12.3513 12.3513 12.4858 12.4858 k = 0.2857 0.2002-0.1288 ( 4846 PWs) bands (ev): -4.4085 -4.4085 -2.5297 -2.5297 -1.8812 -1.8812 -1.8077 -1.8077 -1.4488 -1.4488 -1.2611 -1.2611 0.1653 0.1653 0.7283 0.7283 0.7444 0.7444 2.1430 2.1430 3.8308 3.8308 4.4730 4.4730 4.8292 4.8292 4.8608 4.8608 5.0329 5.0329 6.0732 6.0732 6.2662 6.2662 6.4859 6.4859 7.4327 7.4327 7.6302 7.6302 8.4235 8.4235 8.6327 8.6327 8.8397 8.8397 9.4219 9.4219 9.5556 9.5556 9.7782 9.7782 9.8566 9.8566 9.9587 9.9587 10.6891 10.6891 11.1959 11.1959 11.3481 11.3481 11.5464 11.5464 12.2572 12.2572 12.3850 12.3850 k = 0.3000 0.2102-0.1353 ( 4848 PWs) bands (ev): -4.3577 -4.3577 -2.5267 -2.5267 -1.8957 -1.8957 -1.8532 -1.8532 -1.4392 -1.4392 -1.3407 -1.3407 0.1219 0.1219 0.7403 0.7403 0.7516 0.7516 2.0824 2.0824 3.7841 3.7841 4.5469 4.5469 4.9335 4.9335 4.9762 4.9762 5.1293 5.1293 5.9369 5.9369 6.2463 6.2463 6.6556 6.6556 7.4456 7.4456 7.7537 7.7537 8.5547 8.5547 8.7475 8.7475 8.8748 8.8748 9.2770 9.2770 9.5261 9.5261 9.6917 9.6917 9.8213 9.8213 9.9885 9.9885 10.6313 10.6313 11.2206 11.2206 11.3699 11.3699 11.5102 11.5102 12.1614 12.1614 12.2828 12.2828 k = 0.3143 0.2202-0.1417 ( 4849 PWs) bands (ev): -4.3053 -4.3053 -2.5226 -2.5226 -1.9107 -1.9107 -1.9020 -1.9020 -1.4327 -1.4327 -1.4157 -1.4157 0.0841 0.0841 0.7524 0.7524 0.7632 0.7632 2.0206 2.0206 3.7422 3.7422 4.6232 4.6232 5.0361 5.0361 5.0934 5.0934 5.2291 5.2291 5.8130 5.8130 6.2210 6.2210 6.8275 6.8275 7.4439 7.4439 7.8952 7.8952 8.6700 8.6700 8.8222 8.8222 8.9104 8.9104 9.1396 9.1396 9.4693 9.4693 9.5884 9.5884 9.8402 9.8402 10.0305 10.0305 10.5806 10.5806 11.2143 11.2143 11.3918 11.3918 11.5225 11.5225 12.0638 12.0638 12.1829 12.1829 k = 0.3286 0.2302-0.1482 ( 4860 PWs) bands (ev): -4.2515 -4.2515 -2.5176 -2.5176 -1.9572 -1.9572 -1.9236 -1.9236 -1.4844 -1.4844 -1.4295 -1.4295 0.0520 0.0520 0.7648 0.7648 0.7783 0.7783 1.9582 1.9582 3.7055 3.7055 4.7005 4.7005 5.1286 5.1286 5.2108 5.2108 5.3309 5.3309 5.7143 5.7143 6.1922 6.1922 6.9996 6.9996 7.4404 7.4404 8.0370 8.0370 8.7293 8.7293 8.8462 8.8462 8.9043 8.9043 9.0840 9.0840 9.4167 9.4167 9.4963 9.4963 9.8873 9.8873 10.0735 10.0735 10.5399 10.5399 11.2031 11.2031 11.3764 11.3764 11.5889 11.5889 11.9650 11.9650 12.0902 12.0902 k = 0.3429 0.2402-0.1546 ( 4862 PWs) bands (ev): -4.1964 -4.1964 -2.5118 -2.5118 -2.0165 -2.0165 -1.9367 -1.9367 -1.5453 -1.5453 -1.4299 -1.4299 0.0254 0.0254 0.7774 0.7774 0.7966 0.7966 1.8957 1.8957 3.6741 3.6741 4.7771 4.7771 5.1888 5.1888 5.3276 5.3276 5.4331 5.4331 5.6667 5.6667 6.1615 6.1615 7.1690 7.1690 7.4402 7.4402 8.1681 8.1681 8.6639 8.6639 8.7809 8.7809 8.9325 8.9325 9.1121 9.1121 9.3496 9.3496 9.4855 9.4855 9.9477 9.9477 10.1135 10.1135 10.5130 10.5130 11.1928 11.1928 11.3540 11.3540 11.6602 11.6602 11.8712 11.8712 12.0105 12.0105 k = 0.3571 0.2503-0.1610 ( 4862 PWs) bands (ev): -4.1406 -4.1406 -2.5055 -2.5055 -2.0806 -2.0806 -1.9486 -1.9486 -1.5979 -1.5979 -1.4335 -1.4335 0.0039 0.0039 0.7896 0.7896 0.8180 0.8180 1.8338 1.8338 3.6481 3.6481 4.8492 4.8492 5.1891 5.1891 5.4449 5.4449 5.5370 5.5370 5.6971 5.6971 6.1304 6.1304 7.3239 7.3239 7.4544 7.4544 8.2731 8.2731 8.5326 8.5326 8.6748 8.6748 8.9845 8.9845 9.0879 9.0879 9.3488 9.3488 9.5311 9.5311 10.0177 10.0177 10.1508 10.1508 10.5023 10.5023 11.1835 11.1835 11.3333 11.3333 11.6825 11.6825 11.8155 11.8155 11.9548 11.9548 k = 0.3714 0.2603-0.1675 ( 4866 PWs) bands (ev): -4.0844 -4.0844 -2.4988 -2.4988 -2.1485 -2.1485 -1.9592 -1.9592 -1.6425 -1.6425 -1.4400 -1.4400 -0.0129 -0.0129 0.8014 0.8014 0.8422 0.8422 1.7727 1.7727 3.6273 3.6273 4.9065 4.9065 5.1500 5.1500 5.5647 5.5647 5.6467 5.6467 5.7863 5.7863 6.1014 6.1014 7.4006 7.4006 7.5444 7.5444 8.3103 8.3103 8.3903 8.3903 8.5972 8.5972 8.9126 8.9126 9.1167 9.1167 9.4073 9.4073 9.5957 9.5957 10.0966 10.0966 10.1913 10.1913 10.5075 10.5075 11.1737 11.1737 11.3137 11.3137 11.6193 11.6193 11.8070 11.8070 11.9505 11.9505 k = 0.3857 0.2703-0.1739 ( 4860 PWs) bands (ev): -4.0284 -4.0284 -2.4919 -2.4919 -2.2185 -2.2185 -1.9684 -1.9684 -1.6796 -1.6796 -1.4489 -1.4489 -0.0255 -0.0255 0.8124 0.8124 0.8688 0.8688 1.7129 1.7129 3.6118 3.6118 4.9195 4.9195 5.1328 5.1328 5.6864 5.6864 5.7596 5.7596 5.8968 5.8968 6.0828 6.0828 7.4140 7.4140 7.6889 7.6889 8.2062 8.2062 8.2895 8.2895 8.5705 8.5705 8.8035 8.8035 9.1792 9.1792 9.4713 9.4713 9.6639 9.6639 10.1821 10.1821 10.2448 10.2448 10.5254 10.5254 11.1576 11.1576 11.2964 11.2964 11.5400 11.5400 11.7813 11.7813 11.9908 11.9908 k = 0.4000 0.2803-0.1804 ( 4859 PWs) bands (ev): -3.9734 -3.9734 -2.4852 -2.4852 -2.2887 -2.2887 -1.9761 -1.9761 -1.7102 -1.7102 -1.4594 -1.4594 -0.0346 -0.0346 0.8227 0.8227 0.8973 0.8973 1.6549 1.6549 3.6011 3.6011 4.8731 4.8731 5.1694 5.1694 5.8048 5.8048 5.8664 5.8664 5.9880 5.9880 6.1116 6.1116 7.4177 7.4177 7.8129 7.8129 8.0590 8.0590 8.1947 8.1947 8.5094 8.5094 8.7571 8.7571 9.2363 9.2363 9.5255 9.5255 9.7296 9.7296 10.2692 10.2692 10.3197 10.3197 10.5538 10.5538 11.1249 11.1249 11.2906 11.2906 11.4704 11.4704 11.7506 11.7506 12.0257 12.0257 k = 0.4143 0.2903-0.1868 ( 4869 PWs) bands (ev): -3.9204 -3.9204 -2.4788 -2.4788 -2.3569 -2.3569 -1.9824 -1.9824 -1.7352 -1.7352 -1.4709 -1.4709 -0.0409 -0.0409 0.8321 0.8321 0.9274 0.9274 1.5992 1.5992 3.5948 3.5948 4.8033 4.8033 5.2309 5.2309 5.8792 5.8792 5.9635 5.9635 6.0618 6.0618 6.2220 6.2220 7.4167 7.4167 7.8313 7.8313 7.9371 7.9371 8.1411 8.1411 8.4104 8.4104 8.7657 8.7657 9.2804 9.2804 9.5658 9.5658 9.7927 9.7927 10.3571 10.3571 10.4089 10.4089 10.5960 10.5960 11.0751 11.0751 11.2999 11.2999 11.4159 11.4159 11.7158 11.7158 12.0306 12.0306 k = 0.4286 0.3003-0.1933 ( 4865 PWs) bands (ev): -3.8706 -3.8706 -2.4730 -2.4730 -2.4208 -2.4208 -1.9874 -1.9874 -1.7553 -1.7553 -1.4823 -1.4823 -0.0450 -0.0450 0.8403 0.8403 0.9584 0.9584 1.5465 1.5465 3.5923 3.5923 4.7324 4.7324 5.2982 5.2982 5.8730 5.8730 6.0819 6.0819 6.1711 6.1711 6.3606 6.3606 7.4074 7.4074 7.7129 7.7129 7.8445 7.8445 8.0938 8.0938 8.3968 8.3968 8.7799 8.7799 9.3075 9.3075 9.5900 9.5900 9.8551 9.8551 10.4473 10.4473 10.4907 10.4907 10.6637 10.6637 11.0216 11.0216 11.3066 11.3066 11.3879 11.3879 11.6696 11.6696 12.0145 12.0145 k = 0.4429 0.3103-0.1997 ( 4873 PWs) bands (ev): -3.8255 -3.8255 -2.4786 -2.4786 -2.4676 -2.4676 -1.9911 -1.9911 -1.7711 -1.7711 -1.4931 -1.4931 -0.0475 -0.0475 0.8473 0.8473 0.9892 0.9892 1.4977 1.4977 3.5926 3.5926 4.6685 4.6685 5.3653 5.3653 5.8413 5.8413 6.2046 6.2046 6.2942 6.2942 6.5049 6.5049 7.3815 7.3815 7.5730 7.5730 7.7514 7.7514 7.9699 7.9699 8.4955 8.4955 8.7885 8.7885 9.3147 9.3147 9.5981 9.5981 9.9158 9.9158 10.5284 10.5284 10.5572 10.5572 10.7634 10.7634 10.9797 10.9797 11.2892 11.2892 11.3983 11.3983 11.6136 11.6136 11.9605 11.9605 k = 0.4571 0.3203-0.2061 ( 4867 PWs) bands (ev): -3.7872 -3.7872 -2.5269 -2.5269 -2.4637 -2.4637 -1.9937 -1.9937 -1.7831 -1.7831 -1.5024 -1.5024 -0.0489 -0.0489 0.8529 0.8529 1.0185 1.0185 1.4545 1.4545 3.5947 3.5947 4.6153 4.6153 5.4293 5.4293 5.8021 5.8021 6.3221 6.3221 6.4213 6.4213 6.6461 6.6461 7.3279 7.3279 7.4432 7.4432 7.6765 7.6765 7.8257 7.8257 8.6179 8.6179 8.7980 8.7980 9.2980 9.2980 9.5957 9.5957 9.9700 9.9700 10.5754 10.5754 10.6299 10.6299 10.8780 10.8780 10.9655 10.9655 11.2665 11.2665 11.4115 11.4115 11.5692 11.5692 11.8335 11.8335 k = 0.4714 0.3303-0.2126 ( 4855 PWs) bands (ev): -3.7576 -3.7576 -2.5640 -2.5640 -2.4606 -2.4606 -1.9954 -1.9954 -1.7914 -1.7914 -1.5095 -1.5095 -0.0496 -0.0496 0.8570 0.8570 1.0439 1.0439 1.4191 1.4191 3.5975 3.5975 4.5754 4.5754 5.4878 5.4878 5.7609 5.7609 6.4256 6.4256 6.5480 6.5480 6.7699 6.7699 7.2506 7.2506 7.3376 7.3376 7.6109 7.6109 7.7038 7.7038 8.7075 8.7075 8.8386 8.8386 9.2542 9.2542 9.5905 9.5905 10.0117 10.0117 10.6009 10.6009 10.6928 10.6928 10.9401 10.9401 11.0348 11.0348 11.2516 11.2516 11.3953 11.3953 11.5643 11.5643 11.6898 11.6898 k = 0.4857 0.3404-0.2190 ( 4852 PWs) bands (ev): -3.7388 -3.7388 -2.5874 -2.5874 -2.4588 -2.4588 -1.9963 -1.9963 -1.7963 -1.7963 -1.5140 -1.5140 -0.0499 -0.0499 0.8595 0.8595 1.0619 1.0619 1.3952 1.3952 3.5996 3.5996 4.5507 4.5507 5.5352 5.5352 5.7238 5.7238 6.5013 6.5013 6.6657 6.6657 6.8397 6.8397 7.1961 7.1961 7.2615 7.2615 7.5166 7.5166 7.6545 7.6545 8.7330 8.7330 8.9300 8.9300 9.1883 9.1883 9.5872 9.5872 10.0376 10.0376 10.6139 10.6139 10.7326 10.7326 10.9654 10.9654 11.1309 11.1309 11.2660 11.2660 11.3728 11.3728 11.5211 11.5211 11.6116 11.6116 k = 0.5000 0.3504-0.2255 ( 4856 PWs) bands (ev): -3.7323 -3.7323 -2.5954 -2.5954 -2.4581 -2.4581 -1.9966 -1.9966 -1.7979 -1.7979 -1.5155 -1.5155 -0.0500 -0.0500 0.8603 0.8603 1.0685 1.0685 1.3866 1.3866 3.6004 3.6004 4.5423 4.5423 5.5562 5.5562 5.7062 5.7062 6.5301 6.5301 6.7333 6.7333 6.8365 6.8365 7.2012 7.2012 7.2218 7.2218 7.4638 7.4638 7.6450 7.6450 8.7364 8.7364 8.9916 8.9916 9.1399 9.1399 9.5862 9.5862 10.0463 10.0463 10.6178 10.6178 10.7458 10.7458 10.9792 10.9792 11.1517 11.1517 11.3318 11.3318 11.3750 11.3750 11.4137 11.4137 11.6234 11.6234 k = 0.5000 0.3504-0.2255 ( 4856 PWs) bands (ev): -3.7323 -3.7323 -2.5954 -2.5954 -2.4581 -2.4581 -1.9966 -1.9966 -1.7979 -1.7979 -1.5155 -1.5155 -0.0500 -0.0500 0.8603 0.8603 1.0685 1.0685 1.3866 1.3866 3.6004 3.6004 4.5423 4.5423 5.5562 5.5562 5.7062 5.7062 6.5301 6.5301 6.7333 6.7333 6.8365 6.8365 7.2012 7.2012 7.2218 7.2218 7.4638 7.4638 7.6450 7.6450 8.7364 8.7364 8.9916 8.9916 9.1399 9.1399 9.5862 9.5862 10.0463 10.0463 10.6178 10.6178 10.7458 10.7458 10.9792 10.9792 11.1517 11.1517 11.3318 11.3318 11.3750 11.3750 11.4137 11.4137 11.6234 11.6234 k = 0.5053 0.3541-0.2081 ( 4856 PWs) bands (ev): -3.7310 -3.7310 -2.5942 -2.5942 -2.4672 -2.4672 -1.9990 -1.9990 -1.7972 -1.7972 -1.5036 -1.5036 -0.0497 -0.0497 0.8583 0.8583 1.0461 1.0461 1.4081 1.4081 3.6042 3.6042 4.5486 4.5486 5.4818 5.4818 5.7771 5.7771 6.5151 6.5151 6.6901 6.6901 6.8699 6.8699 7.1993 7.1993 7.2445 7.2445 7.4664 7.4664 7.6562 7.6562 8.7391 8.7391 8.9545 8.9545 9.1735 9.1735 9.5834 9.5834 10.0413 10.0413 10.5791 10.5791 10.7370 10.7370 10.9439 10.9439 11.1416 11.1416 11.3167 11.3167 11.4261 11.4261 11.4602 11.4602 11.6165 11.6165 k = 0.5105 0.3577-0.1907 ( 4859 PWs) bands (ev): -3.7269 -3.7269 -2.5906 -2.5906 -2.4939 -2.4939 -2.0045 -2.0045 -1.7951 -1.7951 -1.4705 -1.4705 -0.0486 -0.0486 0.8522 0.8522 0.9914 0.9914 1.4602 1.4602 3.6156 3.6156 4.5675 4.5675 5.3610 5.3610 5.8873 5.8873 6.4723 6.4723 6.6158 6.6158 6.9160 6.9160 7.2102 7.2102 7.2923 7.2923 7.4759 7.4759 7.6891 7.6891 8.7398 8.7398 8.8918 8.8918 9.2298 9.2298 9.5768 9.5768 10.0272 10.0272 10.4818 10.4818 10.7121 10.7121 10.8746 10.8746 11.0771 11.0771 11.3472 11.3472 11.5237 11.5237 11.5367 11.5367 11.6141 11.6141 k = 0.5158 0.3614-0.1733 ( 4849 PWs) bands (ev): -3.7200 -3.7200 -2.5845 -2.5845 -2.5360 -2.5360 -2.0099 -2.0099 -1.7915 -1.7915 -1.4218 -1.4218 -0.0459 -0.0459 0.8420 0.8420 0.9218 0.9218 1.5249 1.5249 3.6345 3.6345 4.5986 4.5986 5.2347 5.2347 5.9949 5.9949 6.4075 6.4075 6.5395 6.5395 6.9511 6.9511 7.2338 7.2338 7.3520 7.3520 7.4980 7.4980 7.7409 7.7409 8.7076 8.7076 8.8596 8.8596 9.2742 9.2742 9.5734 9.5734 10.0058 10.0058 10.3577 10.3577 10.6703 10.6703 10.8011 10.8011 10.9915 10.9915 11.3601 11.3601 11.5653 11.5653 11.6194 11.6194 11.6870 11.6870 k = 0.5210 0.3651-0.1559 ( 4850 PWs) bands (ev): -3.7104 -3.7104 -2.5907 -2.5907 -2.5759 -2.5759 -2.0128 -2.0128 -1.7865 -1.7865 -1.3640 -1.3640 -0.0407 -0.0407 0.8256 0.8256 0.8485 0.8485 1.5927 1.5927 3.6612 3.6612 4.6414 4.6414 5.1095 5.1095 6.0898 6.0898 6.3282 6.3282 6.4701 6.4701 6.9771 6.9771 7.2639 7.2639 7.4057 7.4057 7.5463 7.5463 7.8078 7.8078 8.6305 8.6305 8.8700 8.8700 9.2928 9.2928 9.5840 9.5840 9.9777 9.9777 10.2300 10.2300 10.6068 10.6068 10.7306 10.7306 10.9149 10.9149 11.3184 11.3184 11.5358 11.5358 11.6300 11.6300 11.7628 11.7628 k = 0.5263 0.3688-0.1385 ( 4852 PWs) bands (ev): -3.6980 -3.6980 -2.6546 -2.6546 -2.5651 -2.5651 -2.0122 -2.0122 -1.7801 -1.7801 -1.3025 -1.3025 -0.0312 -0.0312 0.7651 0.7651 0.8138 0.8138 1.6585 1.6585 3.6955 3.6955 4.6951 4.6951 4.9889 4.9889 6.1558 6.1558 6.2414 6.2414 6.4223 6.4223 6.9986 6.9986 7.2963 7.2963 7.4409 7.4409 7.6285 7.6285 7.8858 7.8858 8.5350 8.5350 8.8858 8.8858 9.2910 9.2910 9.6095 9.6095 9.9355 9.9355 10.1214 10.1214 10.5176 10.5176 10.6647 10.6647 10.8596 10.8596 11.2446 11.2446 11.4001 11.4001 11.6674 11.6674 11.8153 11.8153 k = 0.5316 0.3725-0.1211 ( 4851 PWs) bands (ev): -3.6829 -3.6829 -2.7250 -2.7250 -2.5518 -2.5518 -2.0080 -2.0080 -1.7725 -1.7725 -1.2420 -1.2420 -0.0158 -0.0158 0.6874 0.6874 0.7928 0.7928 1.7191 1.7191 3.7375 3.7375 4.7573 4.7573 4.8772 4.8772 6.1489 6.1489 6.1648 6.1648 6.4261 6.4261 7.0188 7.0188 7.3298 7.3298 7.4657 7.4657 7.7321 7.7321 7.9706 7.9706 8.4333 8.4333 8.8747 8.8747 9.2977 9.2977 9.6330 9.6330 9.8675 9.8675 10.0582 10.0582 10.4075 10.4075 10.6026 10.6026 10.8260 10.8260 11.1551 11.1551 11.2429 11.2429 11.6903 11.6903 11.8601 11.8601 k = 0.5368 0.3762-0.1037 ( 4856 PWs) bands (ev): -3.6651 -3.6651 -2.7996 -2.7996 -2.5363 -2.5363 -2.0004 -2.0004 -1.7636 -1.7636 -1.1861 -1.1861 0.0079 0.0079 0.6100 0.6100 0.7696 0.7696 1.7715 1.7715 3.7870 3.7870 4.7622 4.7622 4.8425 4.8425 6.0592 6.0592 6.1151 6.1151 6.4776 6.4776 7.0388 7.0388 7.3638 7.3638 7.4879 7.4879 7.8458 7.8458 8.0557 8.0557 8.3333 8.3333 8.8194 8.8194 9.3356 9.3356 9.6185 9.6185 9.8075 9.8075 10.0337 10.0337 10.2889 10.2889 10.5432 10.5432 10.8084 10.8084 11.0490 11.0490 11.0908 11.0908 11.6807 11.6807 11.8920 11.8920 k = 0.5421 0.3799-0.0863 ( 4860 PWs) bands (ev): -3.6446 -3.6446 -2.8767 -2.8767 -2.5184 -2.5184 -1.9899 -1.9899 -1.7535 -1.7535 -1.1381 -1.1381 0.0416 0.0416 0.5340 0.5340 0.7444 0.7444 1.8132 1.8132 3.8439 3.8439 4.6751 4.6751 4.9215 4.9215 5.9691 5.9691 6.0447 6.0447 6.5444 6.5444 7.0592 7.0592 7.3978 7.3978 7.5107 7.5107 7.9616 7.9616 8.1149 8.1149 8.2626 8.2626 8.7276 8.7276 9.3931 9.3931 9.5482 9.5482 9.7958 9.7958 10.0158 10.0158 10.1802 10.1802 10.4873 10.4873 10.7981 10.7981 10.9054 10.9054 10.9786 10.9786 11.6310 11.6310 11.9109 11.9109 k = 0.5474 0.3835-0.0689 ( 4866 PWs) bands (ev): -3.6213 -3.6213 -2.9550 -2.9550 -2.4983 -2.4983 -1.9767 -1.9767 -1.7424 -1.7424 -1.1002 -1.1002 0.0867 0.0867 0.4602 0.4602 0.7177 0.7177 1.8415 1.8415 3.9078 3.9078 4.6000 4.6000 5.0124 5.0124 5.8806 5.8806 5.9678 5.9678 6.6119 6.6119 7.0795 7.0795 7.4306 7.4306 7.5350 7.5350 8.0259 8.0259 8.1230 8.1230 8.2937 8.2937 8.6182 8.6182 9.3883 9.3883 9.5201 9.5201 9.8036 9.8036 9.9654 9.9654 10.1156 10.1156 10.4380 10.4380 10.7326 10.7326 10.8083 10.8083 10.8900 10.8900 11.5513 11.5513 11.9255 11.9255 k = 0.5526 0.3872-0.0515 ( 4868 PWs) bands (ev): -3.5954 -3.5954 -3.0336 -3.0336 -2.4761 -2.4761 -1.9613 -1.9613 -1.7303 -1.7303 -1.0736 -1.0736 0.1436 0.1436 0.3890 0.3890 0.6907 0.6907 1.8541 1.8541 3.9784 3.9784 4.5425 4.5425 5.1112 5.1112 5.7944 5.7944 5.8894 5.8894 6.6760 6.6760 7.0987 7.0987 7.4602 7.4602 7.5613 7.5613 7.9457 7.9457 8.2266 8.2266 8.3499 8.3499 8.5240 8.5240 9.2912 9.2912 9.5539 9.5539 9.8131 9.8131 9.8981 9.8981 10.0877 10.0877 10.3945 10.3945 10.5995 10.5995 10.7565 10.7565 10.8512 10.8512 11.4600 11.4600 11.9388 11.9388 k = 0.5579 0.3909-0.0341 ( 4866 PWs) bands (ev): -3.5668 -3.5668 -3.1119 -3.1119 -2.4518 -2.4518 -1.9438 -1.9438 -1.7174 -1.7174 -1.0585 -1.0585 0.2109 0.2109 0.3207 0.3207 0.6651 0.6651 1.8492 1.8492 4.0552 4.0552 4.5053 4.5053 5.2167 5.2167 5.7111 5.7111 5.8117 5.8117 6.7348 6.7348 7.1146 7.1146 7.4826 7.4826 7.5894 7.5894 7.8484 7.8484 8.2795 8.2795 8.3696 8.3696 8.5332 8.5332 9.1842 9.1842 9.5269 9.5269 9.8291 9.8291 9.8711 9.8711 10.0582 10.0582 10.3334 10.3334 10.5091 10.5091 10.6817 10.6817 10.8551 10.8551 11.3725 11.3725 11.9499 11.9499 k = 0.5579 0.3909-0.0341 ( 4866 PWs) bands (ev): -3.5668 -3.5668 -3.1119 -3.1119 -2.4518 -2.4518 -1.9438 -1.9438 -1.7174 -1.7174 -1.0585 -1.0585 0.2109 0.2109 0.3207 0.3207 0.6651 0.6651 1.8492 1.8492 4.0552 4.0552 4.5053 4.5053 5.2167 5.2167 5.7111 5.7111 5.8117 5.8117 6.7348 6.7348 7.1146 7.1146 7.4826 7.4826 7.5894 7.5894 7.8484 7.8484 8.2795 8.2795 8.3696 8.3696 8.5332 8.5332 9.1842 9.1842 9.5269 9.5269 9.8291 9.8291 9.8711 9.8711 10.0582 10.0582 10.3334 10.3334 10.5091 10.5091 10.6817 10.6817 10.8551 10.8551 11.3725 11.3725 11.9499 11.9499 k = 0.5534 0.3878-0.0168 ( 4864 PWs) bands (ev): -3.5445 -3.5445 -3.1451 -3.1451 -2.4297 -2.4297 -1.9291 -1.9291 -1.7087 -1.7087 -1.0772 -1.0772 0.2310 0.2310 0.2487 0.2487 0.6173 0.6173 1.8594 1.8594 4.1432 4.1432 4.5063 4.5063 5.3637 5.3637 5.7346 5.7346 5.8354 5.8354 6.7038 6.7038 7.0795 7.0795 7.5001 7.5001 7.6359 7.6359 7.8147 7.8147 8.1874 8.1874 8.3826 8.3826 8.5256 8.5256 9.1216 9.1216 9.4929 9.4929 9.8060 9.8060 9.9020 9.9020 10.0482 10.0482 10.3039 10.3039 10.4792 10.4792 10.6387 10.6387 10.8223 10.8223 11.2570 11.2570 11.8956 11.8956 k = 0.5490 0.3847 0.0006 ( 4864 PWs) bands (ev): -3.5250 -3.5250 -3.1764 -3.1764 -2.4011 -2.4011 -1.9133 -1.9133 -1.6995 -1.6995 -1.1041 -1.1041 0.1812 0.1812 0.2477 0.2477 0.5785 0.5785 1.8557 1.8557 4.2390 4.2390 4.5243 4.5243 5.5177 5.5177 5.7607 5.7607 5.8617 5.8617 6.6672 6.6672 7.0187 7.0187 7.4833 7.4833 7.6550 7.6550 7.8144 7.8144 8.1029 8.1029 8.4059 8.4059 8.5330 8.5330 9.0760 9.0760 9.4531 9.4531 9.7764 9.7764 9.9189 9.9189 10.0344 10.0344 10.2678 10.2678 10.4432 10.4432 10.6094 10.6094 10.8043 10.8043 11.1709 11.1709 11.8370 11.8370 k = 0.5445 0.3816 0.0179 ( 4869 PWs) bands (ev): -3.5082 -3.5082 -3.2058 -3.2058 -2.3663 -2.3663 -1.8966 -1.8966 -1.6899 -1.6899 -1.1385 -1.1385 0.1193 0.1193 0.2516 0.2516 0.5582 0.5582 1.8381 1.8381 4.3420 4.3420 4.5597 4.5597 5.6723 5.6723 5.7914 5.7914 5.8924 5.8924 6.6264 6.6264 6.9438 6.9438 7.4206 7.4206 7.6068 7.6068 7.8634 7.8634 8.0664 8.0664 8.4351 8.4351 8.5474 8.5474 9.0442 9.0442 9.4105 9.4105 9.7458 9.7458 9.9121 9.9121 10.0112 10.0112 10.2126 10.2126 10.3866 10.3866 10.6123 10.6123 10.8133 10.8133 11.1170 11.1170 11.7751 11.7751 k = 0.5401 0.3784 0.0353 ( 4865 PWs) bands (ev): -3.4937 -3.4937 -3.2334 -3.2334 -2.3257 -2.3257 -1.8795 -1.8795 -1.6804 -1.6804 -1.1794 -1.1794 0.0632 0.0632 0.2358 0.2358 0.5643 0.5643 1.8073 1.8073 4.4512 4.4512 4.6126 4.6126 5.7900 5.7900 5.8476 5.8476 5.9408 5.9408 6.5831 6.5831 6.8610 6.8610 7.3270 7.3270 7.5030 7.5030 7.9326 7.9326 8.0831 8.0831 8.4693 8.4693 8.5656 8.5656 9.0220 9.0220 9.3654 9.3654 9.7125 9.7125 9.8874 9.8874 9.9601 9.9601 10.1482 10.1482 10.3360 10.3360 10.6216 10.6216 10.8472 10.8472 11.0996 11.0996 11.7111 11.7111 k = 0.5356 0.3753 0.0526 ( 4864 PWs) bands (ev): -3.4812 -3.4812 -3.2590 -3.2590 -2.2801 -2.2801 -1.8621 -1.8621 -1.6713 -1.6713 -1.2258 -1.2258 0.0134 0.0134 0.2020 0.2020 0.5956 0.5956 1.7646 1.7646 4.5654 4.5654 4.6823 4.6823 5.8332 5.8332 5.9111 5.9111 6.0572 6.0572 6.5389 6.5389 6.7742 6.7742 7.2189 7.2189 7.3728 7.3728 8.0033 8.0033 8.1293 8.1293 8.5082 8.5082 8.5858 8.5858 9.0054 9.0054 9.3164 9.3164 9.6713 9.6713 9.8410 9.8410 9.8782 9.8782 10.1105 10.1105 10.2997 10.2997 10.6236 10.6236 10.8739 10.8739 11.1315 11.1315 11.6463 11.6463 k = 0.5312 0.3722 0.0700 ( 4855 PWs) bands (ev): -3.4702 -3.4702 -3.2828 -3.2828 -2.2299 -2.2299 -1.8451 -1.8451 -1.6628 -1.6628 -1.2766 -1.2766 -0.0296 -0.0296 0.1577 0.1577 0.6449 0.6449 1.7115 1.7115 4.6826 4.6826 4.7687 4.7687 5.8639 5.8639 5.9420 5.9420 6.2079 6.2079 6.4970 6.4970 6.6887 6.6887 7.1053 7.1053 7.2383 7.2383 8.0662 8.0662 8.1870 8.1870 8.5507 8.5507 8.6074 8.6074 8.9911 8.9911 9.2593 9.2593 9.6091 9.6091 9.7519 9.7519 9.8321 9.8321 10.0970 10.0970 10.2715 10.2715 10.6219 10.6219 10.8732 10.8732 11.2036 11.2036 11.5825 11.5825 k = 0.5267 0.3691 0.0873 ( 4861 PWs) bands (ev): -3.4602 -3.4602 -3.3048 -3.3048 -2.1762 -2.1762 -1.8291 -1.8291 -1.6553 -1.6553 -1.3306 -1.3306 -0.0654 -0.0654 0.1096 0.1096 0.7059 0.7059 1.6495 1.6495 4.8005 4.8005 4.8714 4.8714 5.8904 5.8904 5.9599 5.9599 6.3313 6.3313 6.4641 6.4641 6.6236 6.6236 6.9887 6.9887 7.1190 7.1190 8.1146 8.1146 8.2470 8.2470 8.5906 8.5906 8.6337 8.6337 8.9762 8.9762 9.1887 9.1887 9.5193 9.5193 9.6882 9.6882 9.7978 9.7978 10.0943 10.0943 10.2477 10.2477 10.6205 10.6205 10.8559 10.8559 11.2743 11.2743 11.5212 11.5212 k = 0.5223 0.3660 0.1046 ( 4861 PWs) bands (ev): -3.4509 -3.4509 -3.3249 -3.3249 -2.1196 -2.1196 -1.8150 -1.8150 -1.6488 -1.6488 -1.3866 -1.3866 -0.0935 -0.0935 0.0615 0.0615 0.7748 0.7748 1.5804 1.5804 4.9184 4.9184 4.9885 4.9885 5.9088 5.9088 5.9634 5.9634 6.3612 6.3612 6.4355 6.4355 6.6350 6.6350 6.8681 6.8681 7.0442 7.0442 8.1413 8.1413 8.3043 8.3043 8.6128 8.6128 8.6751 8.6751 8.9583 8.9583 9.1058 9.1058 9.4312 9.4312 9.6504 9.6504 9.7664 9.7664 10.0969 10.0969 10.2266 10.2266 10.6217 10.6217 10.8319 10.8319 11.3110 11.3110 11.4642 11.4642 k = 0.5178 0.3628 0.1220 ( 4870 PWs) bands (ev): -3.4419 -3.4419 -3.3434 -3.3434 -2.0614 -2.0614 -1.8040 -1.8040 -1.6433 -1.6433 -1.4428 -1.4428 -0.1135 -0.1135 0.0162 0.0162 0.8493 0.8493 1.5057 1.5057 5.0380 5.0380 5.1151 5.1151 5.9071 5.9071 5.9480 5.9480 6.3288 6.3288 6.4042 6.4042 6.6658 6.6658 6.7510 6.7510 7.0607 7.0607 8.1365 8.1365 8.3564 8.3564 8.6146 8.6146 8.7252 8.7252 8.9343 8.9343 9.0325 9.0325 9.3594 9.3594 9.6268 9.6268 9.7374 9.7374 10.1030 10.1030 10.2077 10.2077 10.6266 10.6266 10.8047 10.8047 11.3150 11.3150 11.4131 11.4131 k = 0.5134 0.3597 0.1393 ( 4864 PWs) bands (ev): -3.4327 -3.4327 -3.3601 -3.3601 -2.0027 -2.0027 -1.7983 -1.7983 -1.6385 -1.6385 -1.4969 -1.4969 -0.1252 -0.1252 -0.0247 -0.0247 0.9278 0.9278 1.4268 1.4268 5.1607 5.1607 5.2460 5.2460 5.8653 5.8653 5.9138 5.9138 6.2943 6.2943 6.3994 6.3994 6.6109 6.6109 6.6678 6.6678 7.1777 7.1777 8.0886 8.0886 8.4026 8.4026 8.5988 8.5988 8.7694 8.7694 8.9063 8.9063 8.9991 8.9991 9.2972 9.2972 9.6149 9.6149 9.7101 9.7101 10.1114 10.1114 10.1903 10.1903 10.6361 10.6361 10.7761 10.7761 11.3048 11.3048 11.3693 11.3693 k = 0.5089 0.3566 0.1567 ( 4856 PWs) bands (ev): -3.4231 -3.4231 -3.3753 -3.3753 -1.9454 -1.9454 -1.8012 -1.8012 -1.6330 -1.6330 -1.5455 -1.5455 -0.1285 -0.1285 -0.0599 -0.0599 1.0092 1.0092 1.3449 1.3449 5.2858 5.2858 5.3764 5.3764 5.7853 5.7853 5.8525 5.8525 6.2895 6.2895 6.4173 6.4173 6.5171 6.5171 6.6084 6.6084 7.3408 7.3408 7.9923 7.9923 8.4435 8.4435 8.5719 8.5719 8.7996 8.7996 8.8844 8.8844 9.0105 9.0105 9.2370 9.2370 9.6144 9.6144 9.6844 9.6844 10.1216 10.1216 10.1744 10.1744 10.6505 10.6505 10.7471 10.7471 11.2941 11.2941 11.3343 11.3343 k = 0.5045 0.3535 0.1740 ( 4864 PWs) bands (ev): -3.4127 -3.4127 -3.3890 -3.3890 -1.8923 -1.8923 -1.8168 -1.8168 -1.6248 -1.6248 -1.5842 -1.5842 -0.1233 -0.1233 -0.0885 -0.0885 1.0925 1.0925 1.2612 1.2612 5.4100 5.4100 5.4961 5.4961 5.6890 5.6890 5.7644 5.7644 6.3159 6.3159 6.4319 6.4319 6.4530 6.4530 6.5506 6.5506 7.5173 7.5173 7.8553 7.8553 8.4796 8.4796 8.5423 8.5423 8.8216 8.8216 8.8641 8.8641 9.0544 9.0544 9.1754 9.1754 9.6234 9.6234 9.6605 9.6605 10.1332 10.1332 10.1596 10.1596 10.6695 10.6695 10.7189 10.7189 11.2894 11.2894 11.3089 11.3089 k = 0.5000 0.3504 0.1914 ( 4862 PWs) bands (ev): -3.4015 -3.4015 -3.4014 -3.4014 -1.8479 -1.8479 -1.8479 -1.8479 -1.6101 -1.6101 -1.6100 -1.6100 -0.1099 -0.1099 -0.1098 -0.1098 1.1768 1.1768 1.1768 1.1768 5.5185 5.5185 5.5185 5.5185 5.6702 5.6702 5.6702 5.6702 6.3653 6.3653 6.3653 6.3653 6.4974 6.4974 6.4974 6.4974 7.6925 7.6925 7.6925 7.6925 8.5120 8.5120 8.5120 8.5120 8.8428 8.8428 8.8428 8.8428 9.1130 9.1130 9.1130 9.1130 9.6396 9.6396 9.6396 9.6396 10.1459 10.1459 10.1459 10.1459 10.6926 10.6926 10.6927 10.6927 11.2940 11.2940 11.2940 11.2940 k = 0.5000 0.3504 0.1914 ( 4862 PWs) bands (ev): -3.4015 -3.4015 -3.4014 -3.4014 -1.8479 -1.8479 -1.8479 -1.8479 -1.6101 -1.6101 -1.6100 -1.6100 -0.1099 -0.1099 -0.1098 -0.1098 1.1768 1.1768 1.1768 1.1768 5.5185 5.5185 5.5185 5.5185 5.6702 5.6702 5.6702 5.6702 6.3653 6.3653 6.3653 6.3653 6.4974 6.4974 6.4974 6.4974 7.6925 7.6925 7.6925 7.6925 8.5120 8.5120 8.5120 8.5120 8.8428 8.8428 8.8428 8.8428 9.1130 9.1130 9.1130 9.1130 9.6396 9.6396 9.6396 9.6396 10.1459 10.1459 10.1459 10.1459 10.6926 10.6926 10.6927 10.6927 11.2940 11.2940 11.2940 11.2940 k = 0.5108 0.3350 0.1914 ( 4860 PWs) bands (ev): -3.4008 -3.4008 -3.4007 -3.4007 -1.8568 -1.8568 -1.8567 -1.8567 -1.6054 -1.6054 -1.6050 -1.6050 -0.1039 -0.1039 -0.1037 -0.1037 1.1780 1.1780 1.1781 1.1781 5.4597 5.4597 5.5237 5.5237 5.6551 5.6551 5.7239 5.7239 6.3149 6.3149 6.3214 6.3214 6.5510 6.5510 6.5567 6.5567 7.6907 7.6907 7.6956 7.6956 8.4928 8.4928 8.5044 8.5044 8.8272 8.8272 8.8442 8.8442 9.1029 9.1029 9.1331 9.1331 9.6437 9.6437 9.6443 9.6443 10.1113 10.1113 10.1201 10.1201 10.7209 10.7209 10.7340 10.7340 11.2974 11.2974 11.3011 11.3011 k = 0.5216 0.3196 0.1914 ( 4868 PWs) bands (ev): -3.3987 -3.3987 -3.3986 -3.3986 -1.8815 -1.8815 -1.8814 -1.8814 -1.5926 -1.5926 -1.5919 -1.5919 -0.0860 -0.0860 -0.0857 -0.0857 1.1819 1.1819 1.1821 1.1821 5.3865 5.3865 5.4650 5.4650 5.6865 5.6865 5.7725 5.7725 6.2451 6.2451 6.2555 6.2555 6.6495 6.6495 6.6561 6.6561 7.6901 7.6901 7.6998 7.6998 8.4495 8.4495 8.4721 8.4721 8.8032 8.8032 8.8303 8.8303 9.1009 9.1009 9.1524 9.1524 9.6538 9.6538 9.6566 9.6566 10.0433 10.0433 10.0536 10.0536 10.8019 10.8019 10.8232 10.8232 11.3113 11.3113 11.3187 11.3187 k = 0.5323 0.3042 0.1914 ( 4866 PWs) bands (ev): -3.3953 -3.3953 -3.3951 -3.3951 -1.9180 -1.9180 -1.9180 -1.9180 -1.5751 -1.5751 -1.5741 -1.5741 -0.0570 -0.0570 -0.0565 -0.0565 1.1885 1.1885 1.1887 1.1887 5.3087 5.3087 5.3892 5.3892 5.7103 5.7103 5.7949 5.7949 6.1938 6.1938 6.2133 6.2133 6.7578 6.7578 6.7648 6.7648 7.6905 7.6905 7.7045 7.7045 8.3885 8.3885 8.4209 8.4209 8.7753 8.7753 8.8056 8.8056 9.0935 9.0935 9.1560 9.1560 9.6594 9.6594 9.6676 9.6676 9.9848 9.9848 9.9879 9.9879 10.9060 10.9060 10.9324 10.9324 11.3363 11.3363 11.3474 11.3474 k = 0.5431 0.2889 0.1914 ( 4862 PWs) bands (ev): -3.3907 -3.3907 -3.3904 -3.3904 -1.9628 -1.9628 -1.9628 -1.9628 -1.5551 -1.5551 -1.5539 -1.5539 -0.0182 -0.0182 -0.0174 -0.0174 1.1978 1.1978 1.1980 1.1980 5.2294 5.2294 5.3095 5.3095 5.7041 5.7041 5.7779 5.7779 6.1749 6.1749 6.2102 6.2102 6.8699 6.8699 6.8772 6.8772 7.6915 7.6915 7.7088 7.7088 8.3166 8.3166 8.3582 8.3582 8.7446 8.7446 8.7737 8.7737 9.0678 9.0678 9.1314 9.1314 9.6431 9.6431 9.6571 9.6571 9.9633 9.9633 9.9732 9.9732 11.0156 11.0156 11.0458 11.0458 11.3732 11.3732 11.3879 11.3879 k = 0.5539 0.2735 0.1914 ( 4862 PWs) bands (ev): -3.3850 -3.3850 -3.3846 -3.3846 -2.0134 -2.0134 -2.0132 -2.0132 -1.5340 -1.5340 -1.5325 -1.5325 0.0291 0.0291 0.0301 0.0301 1.2098 1.2098 1.2101 1.2101 5.1499 5.1499 5.2291 5.2291 5.6653 5.6653 5.7267 5.7267 6.1889 6.1889 6.2410 6.2410 6.9835 6.9835 6.9910 6.9910 7.6921 7.6921 7.7112 7.7112 8.2394 8.2394 8.2908 8.2908 8.7108 8.7108 8.7350 8.7350 9.0185 9.0185 9.0745 9.0745 9.6047 9.6047 9.6168 9.6168 9.9969 9.9969 10.0169 10.0169 11.1218 11.1218 11.1546 11.1546 11.4235 11.4235 11.4410 11.4410 k = 0.5647 0.2581 0.1914 ( 4858 PWs) bands (ev): -3.3783 -3.3783 -3.3779 -3.3779 -2.0677 -2.0677 -2.0675 -2.0675 -1.5122 -1.5122 -1.5105 -1.5105 0.0833 0.0833 0.0845 0.0845 1.2247 1.2247 1.2249 1.2249 5.0711 5.0711 5.1494 5.1494 5.6041 5.6041 5.6569 5.6569 6.2246 6.2246 6.2895 6.2895 7.0961 7.0961 7.1042 7.1042 7.6912 7.6912 7.7094 7.7094 8.1617 8.1617 8.2248 8.2248 8.6714 8.6714 8.6861 8.6861 8.9513 8.9513 8.9925 8.9925 9.5601 9.5601 9.5641 9.5641 10.0709 10.0709 10.0970 10.0970 11.2197 11.2197 11.2535 11.2535 11.4884 11.4884 11.5066 11.5066 k = 0.5754 0.2427 0.1914 ( 4854 PWs) bands (ev): -3.3711 -3.3711 -3.3705 -3.3705 -2.1243 -2.1243 -2.1240 -2.1240 -1.4898 -1.4898 -1.4878 -1.4878 0.1428 0.1428 0.1443 0.1443 1.2426 1.2426 1.2426 1.2426 4.9936 4.9936 5.0711 5.0711 5.5318 5.5318 5.5794 5.5794 6.2699 6.2699 6.3436 6.3436 7.2047 7.2047 7.2141 7.2141 7.6874 7.6874 7.7005 7.7005 8.0882 8.0882 8.1659 8.1659 8.6198 8.6198 8.6199 8.6199 8.8820 8.8820 8.9037 8.9037 9.5109 9.5109 9.5160 9.5160 10.1673 10.1673 10.1982 10.1982 11.3080 11.3080 11.3405 11.3405 11.5666 11.5666 11.5830 11.5830 k = 0.5862 0.2273 0.1914 ( 4854 PWs) bands (ev): -3.3636 -3.3636 -3.3629 -3.3629 -2.1817 -2.1817 -2.1813 -2.1813 -1.4666 -1.4666 -1.4644 -1.4644 0.2061 0.2061 0.2079 0.2079 1.2633 1.2633 1.2634 1.2634 4.9178 4.9178 4.9947 4.9947 5.4551 5.4551 5.4999 5.4999 6.3172 6.3172 6.3968 6.3968 7.3033 7.3033 7.3155 7.3155 7.6795 7.6795 7.6829 7.6829 8.0240 8.0240 8.1187 8.1187 8.5313 8.5313 8.5471 8.5471 8.8270 8.8270 8.8300 8.8300 9.4592 9.4592 9.4719 9.4719 10.2769 10.2769 10.3121 10.3121 11.3875 11.3875 11.4175 11.4175 11.6534 11.6534 11.6665 11.6665 k = 0.5970 0.2120 0.1914 ( 4852 PWs) bands (ev): -3.3562 -3.3562 -3.3554 -3.3554 -2.2388 -2.2388 -2.2383 -2.2383 -1.4425 -1.4425 -1.4401 -1.4401 0.2716 0.2716 0.2738 0.2738 1.2870 1.2870 1.2874 1.2874 4.8442 4.8442 4.9205 4.9205 5.3780 5.3780 5.4215 5.4215 6.3620 6.3620 6.4453 6.4453 7.3793 7.3793 7.3960 7.3960 7.6625 7.6625 7.6713 7.6713 7.9733 7.9733 8.0835 8.0835 8.4293 8.4293 8.4535 8.4535 8.7831 8.7831 8.7907 8.7907 9.4085 9.4085 9.4270 9.4270 10.3947 10.3947 10.4342 10.4342 11.4595 11.4595 11.4874 11.4874 11.7429 11.7429 11.7525 11.7525 k = 0.6078 0.1966 0.1914 ( 4852 PWs) bands (ev): -3.3495 -3.3495 -3.3487 -3.3487 -2.2942 -2.2942 -2.2936 -2.2936 -1.4174 -1.4174 -1.4147 -1.4147 0.3381 0.3381 0.3407 0.3407 1.3138 1.3138 1.3146 1.3146 4.7728 4.7728 4.8486 4.8486 5.3026 5.3026 5.3458 5.3458 6.4013 6.4013 6.4867 6.4867 7.4088 7.4088 7.4272 7.4272 7.6625 7.6625 7.6770 7.6770 7.9362 7.9362 8.0505 8.0505 8.3381 8.3381 8.3581 8.3581 8.7579 8.7579 8.7683 8.7683 9.3594 9.3594 9.3820 9.3820 10.5176 10.5176 10.5616 10.5616 11.5245 11.5245 11.5516 11.5516 11.8300 11.8300 11.8375 11.8375 k = 0.6185 0.1812 0.1914 ( 4850 PWs) bands (ev): -3.3443 -3.3443 -3.3433 -3.3433 -2.3468 -2.3468 -2.3461 -2.3461 -1.3912 -1.3912 -1.3882 -1.3882 0.4044 0.4044 0.4074 0.4074 1.3437 1.3437 1.3450 1.3450 4.7038 4.7038 4.7792 4.7792 5.2305 5.2305 5.2738 5.2738 6.4334 6.4334 6.5190 6.5190 7.3778 7.3778 7.3910 7.3910 7.6944 7.6944 7.7012 7.7012 7.9030 7.9030 7.9997 7.9997 8.2897 8.2897 8.2912 8.2912 8.7451 8.7451 8.7535 8.7535 9.3144 9.3144 9.3395 9.3395 10.6433 10.6433 10.6921 10.6921 11.5811 11.5811 11.6093 11.6093 11.9114 11.9114 11.9187 11.9187 k = 0.6293 0.1658 0.1914 ( 4852 PWs) bands (ev): -3.3412 -3.3412 -3.3401 -3.3401 -2.3953 -2.3953 -2.3944 -2.3944 -1.3636 -1.3636 -1.3604 -1.3604 0.4695 0.4695 0.4729 0.4729 1.3767 1.3767 1.3785 1.3785 4.6375 4.6375 4.7124 4.7124 5.1626 5.1626 5.2064 5.2064 6.4569 6.4569 6.5414 6.5414 7.3027 7.3027 7.3112 7.3112 7.7137 7.7137 7.7187 7.7187 7.8689 7.8689 7.9382 7.9382 8.2720 8.2720 8.3008 8.3008 8.7382 8.7382 8.7407 8.7407 9.2786 9.2786 9.3040 9.3040 10.7696 10.7696 10.8238 10.8238 11.6269 11.6269 11.6580 11.6580 11.9850 11.9850 11.9952 11.9952 k = 0.6401 0.1505 0.1914 ( 4858 PWs) bands (ev): -3.3412 -3.3412 -3.3400 -3.3400 -2.4383 -2.4383 -2.4373 -2.4373 -1.3348 -1.3348 -1.3313 -1.3313 0.5323 0.5323 0.5362 0.5362 1.4125 1.4125 1.4150 1.4150 4.5737 4.5737 4.6481 4.6481 5.0997 5.0997 5.1442 5.1442 6.4709 6.4709 6.5530 6.5530 7.2001 7.2001 7.2064 7.2064 7.6774 7.6774 7.6889 7.6889 7.8581 7.8581 7.9138 7.9138 8.3003 8.3003 8.3470 8.3470 8.7256 8.7256 8.7344 8.7344 9.2583 9.2583 9.2815 9.2815 10.8940 10.8940 10.9543 10.9543 11.6597 11.6597 11.6949 11.6949 12.0506 12.0506 12.0670 12.0670 k = 0.6509 0.1351 0.1914 ( 4858 PWs) bands (ev): -3.3452 -3.3452 -3.3439 -3.3439 -2.4746 -2.4746 -2.4735 -2.4735 -1.3046 -1.3046 -1.3008 -1.3008 0.5924 0.5924 0.5968 0.5968 1.4509 1.4509 1.4541 1.4541 4.5126 4.5126 4.5863 4.5863 5.0425 5.0425 5.0877 5.0877 6.4749 6.4749 6.5538 6.5538 7.0783 7.0783 7.0837 7.0837 7.6035 7.6035 7.6137 7.6137 7.8726 7.8726 7.9293 7.9293 8.3453 8.3453 8.4045 8.4045 8.7111 8.7111 8.7377 8.7377 9.2591 9.2591 9.2772 9.2772 11.0130 11.0130 11.0802 11.0802 11.6801 11.6801 11.7192 11.7192 12.1104 12.1104 12.1355 12.1355 k = 0.6616 0.1197 0.1914 ( 4856 PWs) bands (ev): -3.3541 -3.3541 -3.3527 -3.3527 -2.5031 -2.5031 -2.5019 -2.5019 -1.2731 -1.2731 -1.2690 -1.2690 0.6491 0.6491 0.6540 0.6540 1.4915 1.4915 1.4955 1.4955 4.4543 4.4543 4.5271 4.5271 4.9915 4.9915 5.0372 5.0372 6.4684 6.4684 6.5437 6.5437 6.9425 6.9425 6.9477 6.9477 7.5214 7.5214 7.5294 7.5294 7.8949 7.8949 7.9555 7.9555 8.3743 8.3743 8.4424 8.4424 8.7158 8.7158 8.7624 8.7624 9.2831 9.2831 9.2933 9.2933 11.1213 11.1213 11.1957 11.1957 11.6931 11.6931 11.7353 11.7353 12.1672 12.1672 12.2022 12.2022 k = 0.6724 0.1043 0.1914 ( 4854 PWs) bands (ev): -3.3684 -3.3684 -3.3670 -3.3670 -2.5230 -2.5230 -2.5217 -2.5217 -1.2402 -1.2402 -1.2358 -1.2358 0.7022 0.7022 0.7075 0.7075 1.5336 1.5336 1.5384 1.5384 4.3987 4.3987 4.4704 4.4704 4.9469 4.9469 4.9931 4.9931 6.4504 6.4504 6.5218 6.5218 6.7984 6.7984 6.8035 6.8035 7.4423 7.4423 7.4497 7.4497 7.9175 7.9175 7.9806 7.9806 8.3684 8.3684 8.4339 8.4339 8.7627 8.7627 8.8201 8.8201 9.3285 9.3285 9.3292 9.3292 11.2103 11.2103 11.2908 11.2908 11.7093 11.7093 11.7553 11.7553 12.2232 12.2232 12.2681 12.2681 k = 0.3276-0.4675 0.4168 ( 4854 PWs) bands (ev): -3.3684 -3.3684 -3.3670 -3.3670 -2.5230 -2.5230 -2.5217 -2.5217 -1.2402 -1.2402 -1.2358 -1.2358 0.7022 0.7022 0.7075 0.7075 1.5336 1.5336 1.5384 1.5384 4.3987 4.3987 4.4704 4.4704 4.9469 4.9469 4.9931 4.9931 6.4504 6.4504 6.5218 6.5218 6.7984 6.7984 6.8035 6.8035 7.4423 7.4423 7.4497 7.4497 7.9175 7.9175 7.9806 7.9806 8.3684 8.3684 8.4339 8.4339 8.7627 8.7627 8.8201 8.8201 9.3285 9.3285 9.3292 9.3292 11.2103 11.2103 11.2908 11.2908 11.7093 11.7093 11.7553 11.7553 12.2232 12.2232 12.2681 12.2681 k = 0.3170-0.4524 0.4168 ( 4856 PWs) bands (ev): -3.3881 -3.3881 -3.3867 -3.3867 -2.5336 -2.5336 -2.5324 -2.5324 -1.2067 -1.2067 -1.2020 -1.2020 0.7508 0.7508 0.7564 0.7564 1.5757 1.5757 1.5812 1.5812 4.3468 4.3468 4.4173 4.4173 4.9095 4.9095 4.9560 4.9560 6.4180 6.4180 6.4840 6.4840 6.6586 6.6586 6.6617 6.6617 7.3707 7.3707 7.3789 7.3789 7.9341 7.9341 7.9985 7.9985 8.3367 8.3367 8.3931 8.3931 8.8390 8.8390 8.9016 8.9016 9.3814 9.3814 9.3911 9.3911 11.2693 11.2693 11.3515 11.3515 11.7413 11.7413 11.7949 11.7949 12.2780 12.2780 12.3320 12.3320 k = 0.3065-0.4373 0.4168 ( 4856 PWs) bands (ev): -3.4132 -3.4132 -3.4117 -3.4117 -2.5356 -2.5356 -2.5343 -2.5343 -1.1721 -1.1721 -1.1671 -1.1671 0.7959 0.7959 0.8018 0.8018 1.6178 1.6178 1.6241 1.6241 4.2978 4.2978 4.3668 4.3668 4.8785 4.8785 4.9250 4.9250 6.3585 6.3585 6.4082 6.4082 6.5356 6.5356 6.5465 6.5465 7.3054 7.3054 7.3157 7.3157 7.9362 7.9362 8.0010 8.0010 8.3004 8.3004 8.3485 8.3485 8.9244 8.9244 8.9929 8.9929 9.4488 9.4488 9.4690 9.4690 11.2965 11.2965 11.3754 11.3754 11.7961 11.7961 11.8627 11.8627 12.3322 12.3322 12.3949 12.3949 k = 0.2959-0.4223 0.4168 ( 4852 PWs) bands (ev): -3.4431 -3.4431 -3.4417 -3.4417 -2.5293 -2.5293 -2.5280 -2.5280 -1.1363 -1.1363 -1.1310 -1.1310 0.8377 0.8377 0.8438 0.8438 1.6590 1.6590 1.6661 1.6661 4.2516 4.2516 4.3190 4.3190 4.8534 4.8534 4.8998 4.8998 6.2520 6.2520 6.2788 6.2788 6.4484 6.4484 6.4807 6.4807 7.2461 7.2461 7.2598 7.2598 7.9125 7.9125 7.9763 7.9763 8.2803 8.2803 8.3225 8.3225 9.0067 9.0067 9.0817 9.0817 9.5309 9.5309 9.5605 9.5605 11.2995 11.2995 11.3727 11.3727 11.8685 11.8685 11.9510 11.9510 12.3860 12.3860 12.4565 12.4565 k = 0.2853-0.4072 0.4168 ( 4856 PWs) bands (ev): -3.4771 -3.4771 -3.4758 -3.4758 -2.5154 -2.5154 -2.5142 -2.5142 -1.0994 -1.0994 -1.0938 -1.0938 0.8765 0.8765 0.8827 0.8827 1.6986 1.6986 1.7063 1.7063 4.2085 4.2085 4.2741 4.2741 4.8338 4.8338 4.8797 4.8797 6.1115 6.1115 6.1278 6.1278 6.3899 6.3899 6.4325 6.4325 7.1924 7.1924 7.2107 7.2107 7.8587 7.8587 7.9204 7.9204 8.2860 8.2860 8.3247 8.3247 9.0792 9.0792 9.1596 9.1596 9.6277 9.6277 9.6640 9.6640 11.2912 11.2912 11.3584 11.3584 11.9477 11.9477 12.0458 12.0458 12.4400 12.4400 12.5169 12.5169 k = 0.2748-0.3921 0.4168 ( 4860 PWs) bands (ev): -3.5145 -3.5145 -3.5132 -3.5132 -2.4947 -2.4947 -2.4936 -2.4936 -1.0617 -1.0617 -1.0558 -1.0558 0.9126 0.9126 0.9187 0.9187 1.7357 1.7357 1.7440 1.7440 4.1686 4.1686 4.2324 4.2324 4.8187 4.8187 4.8638 4.8638 5.9599 5.9599 5.9726 5.9726 6.3394 6.3394 6.3871 6.3871 7.1438 7.1438 7.1681 7.1681 7.7831 7.7831 7.8423 7.8423 8.3131 8.3131 8.3491 8.3491 9.1377 9.1377 9.2213 9.2213 9.7385 9.7385 9.7780 9.7780 11.2822 11.2822 11.3435 11.3435 12.0242 12.0242 12.1356 12.1356 12.4964 12.4964 12.5764 12.5764 k = 0.2642-0.3770 0.4168 ( 4862 PWs) bands (ev): -3.5541 -3.5541 -3.5529 -3.5529 -2.4681 -2.4681 -2.4671 -2.4671 -1.0231 -1.0231 -1.0169 -1.0169 0.9462 0.9462 0.9523 0.9523 1.7696 1.7696 1.7786 1.7786 4.1320 4.1320 4.1939 4.1939 4.8069 4.8069 4.8507 4.8507 5.8068 5.8068 5.8186 5.8186 6.2897 6.2897 6.3415 6.3415 7.0995 7.0995 7.1315 7.1315 7.6964 7.6964 7.7533 7.7533 8.3536 8.3536 8.3868 8.3868 9.1802 9.1802 9.2645 9.2645 9.8611 9.8611 9.9003 9.9003 11.2801 11.2801 11.3354 11.3354 12.0915 12.0915 12.2116 12.2116 12.5576 12.5576 12.6351 12.6351 k = 0.2536-0.3619 0.4168 ( 4858 PWs) bands (ev): -3.5954 -3.5954 -3.5943 -3.5943 -2.4365 -2.4365 -2.4355 -2.4355 -0.9839 -0.9839 -0.9773 -0.9773 0.9777 0.9777 0.9836 0.9836 1.7998 1.7998 1.8093 1.8093 4.0990 4.0990 4.1590 4.1590 4.7966 4.7966 4.8384 4.8384 5.6565 5.6565 5.6689 5.6689 6.2388 6.2388 6.2950 6.2950 7.0585 7.0585 7.1002 7.1002 7.6071 7.6071 7.6610 7.6610 8.4018 8.4018 8.4319 8.4319 9.2061 9.2061 9.2892 9.2892 9.9925 9.9925 10.0288 10.0288 11.2897 11.2897 11.3384 11.3384 12.1457 12.1457 12.2684 12.2684 12.6249 12.6249 12.6933 12.6933 k = 0.2431-0.3469 0.4168 ( 4856 PWs) bands (ev): -3.6376 -3.6376 -3.6365 -3.6365 -2.4005 -2.4005 -2.3996 -2.3996 -0.9441 -0.9441 -0.9372 -0.9372 1.0073 1.0073 1.0130 1.0130 1.8258 1.8258 1.8358 1.8358 4.0696 4.0696 4.1276 4.1276 4.7852 4.7852 4.8238 4.8238 5.5124 5.5124 5.5268 5.5268 6.1861 6.1861 6.2476 6.2476 7.0187 7.0187 7.0730 7.0730 7.5217 7.5217 7.5711 7.5711 8.4538 8.4538 8.4803 8.4803 9.2164 9.2164 9.2971 9.2971 10.1298 10.1298 10.1612 10.1612 11.3141 11.3141 11.3550 11.3550 12.1849 12.1849 12.3053 12.3053 12.6965 12.6965 12.7507 12.7507 k = 0.2325-0.3318 0.4168 ( 4858 PWs) bands (ev): -3.6801 -3.6801 -3.6791 -3.6791 -2.3608 -2.3608 -2.3600 -2.3600 -0.9040 -0.9040 -0.8968 -0.8968 1.0354 1.0354 1.0408 1.0408 1.8473 1.8473 1.8577 1.8577 4.0439 4.0439 4.1000 4.1000 4.7688 4.7688 4.8024 4.8024 5.3784 5.3784 5.3965 5.3965 6.1317 6.1317 6.1992 6.1992 6.9773 6.9773 7.0476 7.0476 7.4462 7.4462 7.4886 7.4886 8.5069 8.5069 8.5290 8.5290 9.2139 9.2139 9.2910 9.2910 10.2704 10.2704 10.2955 10.2955 11.3544 11.3544 11.3862 11.3862 12.2092 12.2092 12.3252 12.3252 12.7683 12.7683 12.8067 12.8067 k = 0.2219-0.3167 0.4168 ( 4862 PWs) bands (ev): -3.7224 -3.7224 -3.7214 -3.7214 -2.3180 -2.3180 -2.3173 -2.3173 -0.8636 -0.8636 -0.8562 -0.8562 1.0623 1.0623 1.0672 1.0672 1.8640 1.8640 1.8748 1.8748 4.0220 4.0220 4.0762 4.0762 4.7415 4.7415 4.7679 4.7679 5.2601 5.2601 5.2842 5.2842 6.0754 6.0754 6.1498 6.1498 6.9307 6.9307 7.0201 7.0201 7.3865 7.3865 7.4195 7.4195 8.5577 8.5577 8.5743 8.5743 9.2032 9.2032 9.2753 9.2753 10.4122 10.4122 10.4297 10.4297 11.4107 11.4107 11.4313 11.4313 12.2198 12.2198 12.3316 12.3316 12.8371 12.8371 12.8606 12.8606 k = 0.2114-0.3016 0.4168 ( 4860 PWs) bands (ev): -3.7641 -3.7641 -3.7632 -3.7632 -2.2726 -2.2726 -2.2719 -2.2719 -0.8233 -0.8233 -0.8156 -0.8156 1.0881 1.0881 1.0926 1.0926 1.8759 1.8759 1.8871 1.8871 4.0038 4.0038 4.0558 4.0558 4.6962 4.6962 4.7133 4.7133 5.1645 5.1645 5.1961 5.1961 6.0175 6.0175 6.0993 6.0993 6.8763 6.8763 6.9857 6.9857 7.3473 7.3473 7.3700 7.3700 8.6021 8.6021 8.6110 8.6110 9.1912 9.1912 9.2562 9.2562 10.5534 10.5534 10.5620 10.5620 11.4817 11.4817 11.4884 11.4884 12.2186 12.2186 12.3283 12.3283 12.9011 12.9011 12.9119 12.9119 k = 0.2008-0.2865 0.4168 ( 4862 PWs) bands (ev): -3.8049 -3.8049 -3.8040 -3.8040 -2.2251 -2.2251 -2.2244 -2.2244 -0.7831 -0.7831 -0.7752 -0.7752 1.1131 1.1131 1.1172 1.1172 1.8830 1.8830 1.8945 1.8945 3.9889 3.9889 4.0386 4.0386 4.6281 4.6281 4.6360 4.6360 5.0962 5.0962 5.1349 5.1349 5.9580 5.9580 6.0474 6.0474 6.8138 6.8138 6.9408 6.9408 7.3300 7.3300 7.3446 7.3446 8.6329 8.6329 8.6344 8.6344 9.1868 9.1868 9.2417 9.2417 10.6906 10.6906 10.6921 10.6921 11.5549 11.5549 11.5655 11.5655 12.2081 12.2081 12.3189 12.3189 12.9597 12.9597 12.9603 12.9603 k = 0.1902-0.2715 0.4168 ( 4848 PWs) bands (ev): -3.8445 -3.8445 -3.8437 -3.8437 -2.1758 -2.1758 -2.1752 -2.1752 -0.7433 -0.7433 -0.7352 -0.7352 1.1375 1.1375 1.1412 1.1412 1.8855 1.8855 1.8973 1.8973 3.9769 3.9769 4.0237 4.0237 4.5402 4.5402 4.5408 4.5408 5.0525 5.0525 5.0958 5.0958 5.8972 5.8972 5.9940 5.9940 6.7460 6.7460 6.8863 6.8863 7.3331 7.3331 7.3429 7.3429 8.6340 8.6340 8.6481 8.6481 9.1984 9.1984 9.2406 9.2406 10.8137 10.8137 10.8267 10.8267 11.6266 11.6266 11.6590 11.6590 12.1918 12.1918 12.3076 12.3076 13.0054 13.0054 13.0128 13.0128 k = 0.1796-0.2564 0.4168 ( 4850 PWs) bands (ev): -3.8827 -3.8827 -3.8820 -3.8820 -2.1252 -2.1252 -2.1247 -2.1247 -0.7041 -0.7041 -0.6958 -0.6958 1.1615 1.1615 1.1649 1.1649 1.8835 1.8835 1.8956 1.8956 3.9667 3.9667 4.0096 4.0096 4.4361 4.4361 4.4416 4.4416 5.0256 5.0256 5.0709 5.0709 5.8355 5.8355 5.9390 5.9390 6.6763 6.6763 6.8262 6.8262 7.3534 7.3534 7.3610 7.3610 8.6125 8.6125 8.6392 8.6392 9.2301 9.2301 9.2595 9.2595 10.9296 10.9296 10.9553 10.9553 11.6977 11.6977 11.7575 11.7575 12.1748 12.1748 12.3005 12.3005 13.0473 13.0473 13.0606 13.0606 k = 0.1691-0.2413 0.4168 ( 4846 PWs) bands (ev): -3.9193 -3.9193 -3.9187 -3.9187 -2.0736 -2.0736 -2.0732 -2.0732 -0.6657 -0.6657 -0.6573 -0.6573 1.1852 1.1852 1.1884 1.1884 1.8772 1.8772 1.8897 1.8897 3.9562 3.9562 3.9933 3.9933 4.3305 4.3305 4.3426 4.3426 5.0078 5.0078 5.0536 5.0536 5.7733 5.7733 5.8824 5.8824 6.6082 6.6082 6.7645 6.7645 7.3876 7.3876 7.3943 7.3943 8.5722 8.5722 8.6086 8.6086 9.2806 9.2806 9.2996 9.2996 11.0363 11.0363 11.0759 11.0759 11.7602 11.7602 11.8509 11.8509 12.1681 12.1681 12.3065 12.3065 13.0856 13.0856 13.1028 13.1028 k = 0.1585-0.2262 0.4168 ( 4852 PWs) bands (ev): -3.9543 -3.9543 -3.9537 -3.9537 -2.0216 -2.0216 -2.0212 -2.0212 -0.6284 -0.6284 -0.6200 -0.6200 1.2089 1.2089 1.2118 1.2118 1.8671 1.8671 1.8800 1.8800 3.9408 3.9408 3.9685 3.9685 4.2325 4.2325 4.2540 4.2540 4.9943 4.9943 5.0398 5.0398 5.7112 5.7112 5.8244 5.8244 6.5438 6.5438 6.7041 6.7041 7.4327 7.4327 7.4385 7.4385 8.5195 8.5195 8.5618 8.5618 9.3458 9.3458 9.3574 9.3574 11.1313 11.1313 11.1859 11.1859 11.8052 11.8052 11.9185 11.9185 12.1933 12.1933 12.3355 12.3355 13.1205 13.1205 13.1394 13.1394 k = 0.1479-0.2111 0.4168 ( 4856 PWs) bands (ev): -3.9873 -3.9873 -3.9868 -3.9868 -1.9694 -1.9694 -1.9690 -1.9690 -0.5924 -0.5924 -0.5839 -0.5839 1.2325 1.2325 1.2354 1.2354 1.8535 1.8535 1.8668 1.8668 3.9113 3.9113 3.9255 3.9255 4.1536 4.1536 4.1883 4.1883 4.9822 4.9822 5.0272 5.0272 5.6500 5.6500 5.7653 5.7653 6.4847 6.4847 6.6468 6.6468 7.4856 7.4856 7.4898 7.4898 8.4610 8.4610 8.5058 8.5058 9.4216 9.4216 9.4282 9.4282 11.2114 11.2114 11.2815 11.2815 11.8292 11.8292 11.9447 11.9447 12.2683 12.2683 12.3935 12.3935 13.1519 13.1519 13.1700 13.1700 k = 0.1374-0.1961 0.4168 ( 4858 PWs) bands (ev): -4.0185 -4.0185 -4.0180 -4.0180 -1.9175 -1.9175 -1.9172 -1.9172 -0.5579 -0.5579 -0.5495 -0.5495 1.2563 1.2563 1.2592 1.2592 1.8368 1.8368 1.8506 1.8506 3.8570 3.8570 3.8593 3.8593 4.1057 4.1057 4.1519 4.1519 4.9699 4.9699 5.0145 5.0145 5.5904 5.5904 5.7059 5.7059 6.4317 6.4317 6.5936 6.5936 7.5430 7.5430 7.5446 7.5446 8.4025 8.4025 8.4468 8.4468 9.5048 9.5048 9.5082 9.5082 11.2726 11.2726 11.3573 11.3573 11.8395 11.8395 11.9473 11.9473 12.3781 12.3781 12.4776 12.4776 13.1798 13.1798 13.1944 13.1944 k = 0.1268-0.1810 0.4168 ( 4852 PWs) bands (ev): -4.0475 -4.0475 -4.0471 -4.0471 -1.8664 -1.8664 -1.8661 -1.8661 -0.5251 -0.5251 -0.5168 -0.5168 1.2801 1.2801 1.2833 1.2833 1.8175 1.8175 1.8319 1.8319 3.7775 3.7775 3.7809 3.7809 4.0866 4.0866 4.1380 4.1380 4.9567 4.9567 5.0010 5.0010 5.5333 5.5333 5.6468 5.6468 6.3852 6.3852 6.5447 6.5447 7.5981 7.5981 7.6010 7.6010 8.3498 8.3498 8.3905 8.3905 9.5932 9.5932 9.5943 9.5943 11.3109 11.3109 11.4061 11.4061 11.8502 11.8502 11.9492 11.9492 12.5024 12.5024 12.5796 12.5796 13.2044 13.2044 13.2124 13.2124 k = 0.1162-0.1659 0.4168 ( 4854 PWs) bands (ev): -4.0745 -4.0745 -4.0741 -4.0741 -1.8165 -1.8165 -1.8163 -1.8163 -0.4942 -0.4942 -0.4862 -0.4862 1.3040 1.3040 1.3076 1.3076 1.7962 1.7962 1.8111 1.8111 3.6901 3.6901 3.6954 3.6954 4.0842 4.0842 4.1369 4.1369 4.9422 4.9422 4.9865 4.9865 5.4798 5.4798 5.5892 5.5892 6.3451 6.3451 6.5003 6.5003 7.6446 7.6446 7.6543 7.6543 8.3091 8.3091 8.3429 8.3429 9.6843 9.6843 9.6850 9.6850 11.3243 11.3243 11.4227 11.4227 11.8731 11.8731 11.9612 11.9612 12.6309 12.6309 12.6912 12.6912 13.2241 13.2241 13.2262 13.2262 k = 0.1057-0.1508 0.4168 ( 4852 PWs) bands (ev): -4.0993 -4.0993 -4.0989 -4.0989 -1.7683 -1.7683 -1.7681 -1.7681 -0.4653 -0.4653 -0.4577 -0.4577 1.3278 1.3278 1.3321 1.3321 1.7733 1.7733 1.7889 1.7889 3.6032 3.6032 3.6090 3.6090 4.0903 4.0903 4.1427 4.1427 4.9263 4.9263 4.9709 4.9709 5.4304 5.4304 5.5338 5.5338 6.3113 6.3113 6.4603 6.4603 7.6777 7.6777 7.6964 7.6964 8.2869 8.2869 8.3108 8.3108 9.7764 9.7764 9.7786 9.7786 11.3152 11.3152 11.4102 11.4102 11.9100 11.9100 11.9851 11.9851 12.7569 12.7569 12.8052 12.8052 13.2305 13.2305 13.2456 13.2456 k = 0.0951-0.1357 0.4168 ( 4852 PWs) bands (ev): -4.1218 -4.1218 -4.1215 -4.1215 -1.7223 -1.7223 -1.7222 -1.7222 -0.4388 -0.4388 -0.4315 -0.4315 1.3514 1.3514 1.3565 1.3565 1.7495 1.7495 1.7658 1.7658 3.5201 3.5201 3.5259 3.5259 4.1008 4.1008 4.1521 4.1521 4.9092 4.9092 4.9542 4.9542 5.3860 5.3860 5.4816 5.4816 6.2834 6.2834 6.4245 6.4245 7.6921 7.6921 7.7208 7.7208 8.2880 8.2880 8.3005 8.3005 9.8687 9.8687 9.8723 9.8723 11.2892 11.2892 11.3781 11.3781 11.9546 11.9546 12.0173 12.0173 12.8745 12.8745 12.9140 12.9140 13.2344 13.2344 13.2639 13.2639 k = 0.0845-0.1206 0.4168 ( 4834 PWs) bands (ev): -4.1421 -4.1421 -4.1418 -4.1418 -1.6791 -1.6791 -1.6790 -1.6790 -0.4146 -0.4146 -0.4079 -0.4079 1.3745 1.3745 1.3807 1.3807 1.7255 1.7255 1.7424 1.7424 3.4425 3.4425 3.4481 3.4481 4.1138 4.1138 4.1633 4.1633 4.8916 4.8916 4.9368 4.9368 5.3471 5.3471 5.4335 5.4335 6.2611 6.2611 6.3925 6.3925 7.6876 7.6876 7.7242 7.7242 8.3121 8.3121 8.3146 8.3146 9.9592 9.9592 9.9642 9.9642 11.2536 11.2536 11.3360 11.3360 11.9999 11.9999 12.0524 12.0524 12.9758 12.9758 13.0061 13.0061 13.2439 13.2439 13.2836 13.2836 k = 0.0740-0.1056 0.4168 ( 4834 PWs) bands (ev): -4.1601 -4.1601 -4.1598 -4.1598 -1.6392 -1.6392 -1.6392 -1.6392 -0.3930 -0.3930 -0.3869 -0.3869 1.3968 1.3968 1.4042 1.4042 1.7018 1.7018 1.7193 1.7193 3.3716 3.3716 3.3769 3.3769 4.1279 4.1279 4.1750 4.1750 4.8740 4.8740 4.9189 4.9189 5.3138 5.3138 5.3899 5.3899 6.2440 6.2440 6.3640 6.3640 7.6689 7.6689 7.7095 7.7095 8.3492 8.3492 8.3535 8.3535 10.0455 10.0455 10.0519 10.0519 11.2149 11.2149 11.2912 11.2912 12.0405 12.0405 12.0854 12.0854 13.0507 13.0507 13.0631 13.0631 13.2741 13.2741 13.3086 13.3086 k = 0.0634-0.0905 0.4168 ( 4834 PWs) bands (ev): -4.1757 -4.1757 -4.1755 -4.1755 -1.6032 -1.6032 -1.6032 -1.6032 -0.3741 -0.3741 -0.3686 -0.3686 1.4179 1.4179 1.4266 1.4266 1.6792 1.6792 1.6972 1.6972 3.3084 3.3084 3.3133 3.3133 4.1423 4.1423 4.1860 4.1860 4.8574 4.8574 4.9009 4.9009 5.2862 5.2862 5.3514 5.3514 6.2317 6.2317 6.3386 6.3386 7.6427 7.6427 7.6834 7.6834 8.3967 8.3967 8.4047 8.4047 10.1252 10.1252 10.1328 10.1328 11.1785 11.1785 11.2489 11.2489 12.0733 12.0733 12.1126 12.1126 13.0785 13.0785 13.0914 13.0914 13.3287 13.3287 13.3405 13.3405 k = 0.0528-0.0754 0.4168 ( 4832 PWs) bands (ev): -4.1890 -4.1890 -4.1888 -4.1888 -1.5716 -1.5716 -1.5716 -1.5716 -0.3578 -0.3578 -0.3532 -0.3532 1.4375 1.4375 1.4475 1.4475 1.6584 1.6584 1.6765 1.6765 3.2536 3.2536 3.2579 3.2579 4.1564 4.1564 4.1956 4.1956 4.8427 4.8427 4.8833 4.8833 5.2641 5.2641 5.3182 5.3182 6.2239 6.2239 6.3161 6.3161 7.6145 7.6145 7.6524 7.6524 8.4493 8.4493 8.4585 8.4585 10.1952 10.1952 10.2038 10.2038 11.1490 11.1490 11.2129 11.2129 12.0967 12.0967 12.1316 12.1316 13.0710 13.0710 13.1017 13.1017 13.3734 13.3734 13.3877 13.3877 k = 0.0423-0.0603 0.4168 ( 4836 PWs) bands (ev): -4.1999 -4.1999 -4.1997 -4.1997 -1.5449 -1.5449 -1.5449 -1.5449 -0.3444 -0.3444 -0.3405 -0.3405 1.4552 1.4552 1.4659 1.4659 1.6401 1.6401 1.6578 1.6578 3.2078 3.2078 3.2114 3.2114 4.1697 4.1697 4.2032 4.2032 4.8308 4.8308 4.8666 4.8666 5.2475 5.2475 5.2903 5.2903 6.2201 6.2201 6.2961 6.2961 7.5885 7.5885 7.6212 7.6212 8.5007 8.5007 8.5095 8.5095 10.2532 10.2532 10.2619 10.2619 11.1295 11.1295 11.1854 11.1854 12.1106 12.1106 12.1411 12.1411 13.0563 13.0563 13.0929 13.0929 13.4013 13.4013 13.4350 13.4350 k = 0.0317-0.0452 0.4168 ( 4838 PWs) bands (ev): -4.2084 -4.2084 -4.2082 -4.2082 -1.5237 -1.5237 -1.5236 -1.5236 -0.3338 -0.3338 -0.3308 -0.3308 1.4706 1.4706 1.4812 1.4812 1.6254 1.6254 1.6414 1.6414 3.1716 3.1716 3.1745 3.1745 4.1817 4.1817 4.2082 4.2082 4.8223 4.8223 4.8514 4.8514 5.2359 5.2359 5.2676 5.2676 6.2200 6.2200 6.2784 6.2784 7.5672 7.5672 7.5931 7.5931 8.5460 8.5460 8.5535 8.5535 10.2976 10.2976 10.3053 10.3053 11.1211 11.1211 11.1666 11.1666 12.1166 12.1166 12.1419 12.1419 13.0423 13.0423 13.0757 13.0757 13.4236 13.4236 13.4652 13.4652 k = 0.0211-0.0302 0.4168 ( 4836 PWs) bands (ev): -4.2144 -4.2144 -4.2143 -4.2143 -1.5082 -1.5082 -1.5081 -1.5081 -0.3260 -0.3260 -0.3240 -0.3240 1.4832 1.4832 1.4922 1.4922 1.6151 1.6151 1.6278 1.6278 3.1456 3.1456 3.1475 3.1475 4.1920 4.1920 4.2105 4.2105 4.8177 4.8177 4.8383 4.8383 5.2292 5.2292 5.2502 5.2502 6.2233 6.2233 6.2629 6.2629 7.5524 7.5524 7.5703 7.5703 8.5815 8.5815 8.5869 8.5869 10.3281 10.3281 10.3339 10.3339 11.1223 11.1223 11.1547 11.1547 12.1181 12.1181 12.1365 12.1365 13.0329 13.0329 13.0575 13.0575 13.4424 13.4424 13.4790 13.4790 k = 0.0106-0.0151 0.4168 ( 4828 PWs) bands (ev): -4.2181 -4.2181 -4.2179 -4.2179 -1.4987 -1.4987 -1.4987 -1.4987 -0.3211 -0.3211 -0.3201 -0.3201 1.4926 1.4926 1.4979 1.4979 1.6102 1.6102 1.6174 1.6174 3.1300 3.1300 3.1310 3.1310 4.2004 4.2004 4.2098 4.2098 4.8173 4.8173 4.8279 4.8279 5.2273 5.2273 5.2377 5.2377 6.2295 6.2295 6.2495 6.2495 7.5450 7.5450 7.5542 7.5542 8.6046 8.6046 8.6074 8.6074 10.3460 10.3460 10.3492 10.3492 11.1294 11.1294 11.1463 11.1463 12.1189 12.1189 12.1287 12.1287 13.0295 13.0295 13.0424 13.0424 13.4587 13.4587 13.4798 13.4798 k = 0.0000 0.0000 0.4168 ( 4826 PWs) bands (ev): -4.2193 -4.2193 -4.2192 -4.2192 -1.4956 -1.4956 -1.4956 -1.4956 -0.3192 -0.3192 -0.3191 -0.3191 1.4978 1.4978 1.4978 1.4978 1.6112 1.6112 1.6113 1.6113 3.1251 3.1251 3.1251 3.1251 4.2064 4.2064 4.2064 4.2064 4.8207 4.8207 4.8208 4.8208 5.2301 5.2301 5.2301 5.2301 6.2383 6.2383 6.2383 6.2383 7.5456 7.5456 7.5457 7.5457 8.6134 8.6134 8.6135 8.6135 10.3529 10.3529 10.3529 10.3529 11.1381 11.1381 11.1381 11.1381 12.1222 12.1222 12.1222 12.1222 13.0328 13.0328 13.0328 13.0328 13.4719 13.4719 13.4719 13.4719 k = 0.0000 0.0000 0.4168 ( 4826 PWs) bands (ev): -4.2193 -4.2193 -4.2192 -4.2192 -1.4956 -1.4956 -1.4956 -1.4956 -0.3192 -0.3192 -0.3191 -0.3191 1.4978 1.4978 1.4978 1.4978 1.6112 1.6112 1.6113 1.6113 3.1251 3.1251 3.1251 3.1251 4.2064 4.2064 4.2064 4.2064 4.8207 4.8207 4.8208 4.8208 5.2301 5.2301 5.2301 5.2301 6.2383 6.2383 6.2383 6.2383 7.5456 7.5456 7.5457 7.5457 8.6134 8.6134 8.6135 8.6135 10.3529 10.3529 10.3529 10.3529 11.1381 11.1381 11.1381 11.1381 12.1222 12.1222 12.1222 12.1222 13.0328 13.0328 13.0328 13.0328 13.4719 13.4719 13.4719 13.4719 k = 0.0152 0.0107 0.4168 ( 4830 PWs) bands (ev): -4.2196 -4.2196 -4.2162 -4.2162 -1.5004 -1.5004 -1.4932 -1.4932 -0.3269 -0.3269 -0.3170 -0.3170 1.4304 1.4304 1.5559 1.5559 1.5786 1.5786 1.6480 1.6480 3.1059 3.1059 3.1529 3.1529 4.1811 4.1811 4.2317 4.2317 4.7197 4.7197 4.9297 4.9297 5.1338 5.1338 5.3350 5.3350 6.2000 6.2000 6.2832 6.2832 7.4612 7.4612 7.6340 7.6340 8.5988 8.5988 8.6318 8.6318 10.2790 10.2790 10.4267 10.4267 11.0828 11.0828 11.1946 11.1946 12.0011 12.0011 12.2312 12.2312 13.0034 13.0034 13.0493 13.0493 13.3751 13.3751 13.5358 13.5358 k = 0.0305 0.0214 0.4168 ( 4827 PWs) bands (ev): -4.2174 -4.2174 -4.2106 -4.2106 -1.5076 -1.5076 -1.4935 -1.4935 -0.3410 -0.3410 -0.3197 -0.3197 1.3617 1.3617 1.5316 1.5316 1.6163 1.6163 1.6879 1.6879 3.0968 3.0968 3.1870 3.1870 4.1574 4.1574 4.2558 4.2558 4.6296 4.6296 5.0239 5.0239 5.0684 5.0684 5.4457 5.4457 6.1712 6.1712 6.3324 6.3324 7.3827 7.3827 7.7242 7.7242 8.5888 8.5888 8.6534 8.6534 10.2059 10.2059 10.4992 10.4992 11.0288 11.0288 11.2520 11.2520 11.8716 11.8716 12.3241 12.3241 12.9615 12.9615 13.0438 13.0438 13.2701 13.2701 13.5526 13.5526 k = 0.0457 0.0320 0.4168 ( 4823 PWs) bands (ev): -4.2126 -4.2126 -4.2023 -4.2023 -1.5171 -1.5171 -1.4963 -1.4963 -0.3620 -0.3620 -0.3267 -0.3267 1.2937 1.2937 1.4916 1.4916 1.6521 1.6521 1.7348 1.7348 3.0985 3.0985 3.2239 3.2239 4.1375 4.1375 4.2777 4.2777 4.5534 4.5534 4.9635 4.9635 5.1732 5.1732 5.5587 5.5587 6.1555 6.1555 6.3835 6.3835 7.3125 7.3125 7.8142 7.8142 8.5847 8.5847 8.6776 8.6776 10.1342 10.1342 10.5684 10.5684 10.9765 10.9765 11.3096 11.3096 11.7379 11.7379 12.3956 12.3956 12.9025 12.9025 12.9901 12.9901 13.1988 13.1988 13.5257 13.5257 k = 0.0610 0.0427 0.4168 ( 4824 PWs) bands (ev): -4.2052 -4.2052 -4.1914 -4.1914 -1.5287 -1.5287 -1.5019 -1.5019 -0.3908 -0.3908 -0.3374 -0.3374 1.2281 1.2281 1.4509 1.4509 1.6735 1.6735 1.7847 1.7847 3.1113 3.1113 3.2593 3.2593 4.1238 4.1238 4.2962 4.2962 4.4944 4.4944 4.8988 4.8988 5.2971 5.2971 5.6685 5.6685 6.1586 6.1586 6.4336 6.4336 7.2537 7.2537 7.9013 7.9013 8.5883 8.5883 8.7042 8.7042 10.0645 10.0645 10.6304 10.6304 10.9263 10.9263 11.3659 11.3659 11.6061 11.6061 12.4380 12.4380 12.8100 12.8100 12.8982 12.8982 13.1764 13.1764 13.4704 13.4704 k = 0.0762 0.0534 0.4168 ( 4826 PWs) bands (ev): -4.1952 -4.1952 -4.1778 -4.1778 -1.5421 -1.5421 -1.5100 -1.5100 -0.4277 -0.4277 -0.3514 -0.3514 1.1658 1.1658 1.4111 1.4111 1.6844 1.6844 1.8308 1.8308 3.1347 3.1347 3.2896 3.2896 4.1175 4.1175 4.3102 4.3102 4.4573 4.4573 4.8459 4.8459 5.4231 5.4231 5.7677 5.7677 6.1883 6.1883 6.4795 6.4795 7.2103 7.2103 7.9823 7.9823 8.6020 8.6020 8.7328 8.7328 9.9971 9.9971 10.6774 10.6774 10.8796 10.8796 11.4079 11.4079 11.4961 11.4961 12.4355 12.4355 12.6860 12.6860 12.8118 12.8118 13.1706 13.1706 13.4015 13.4015 k = 0.0915 0.0641 0.4168 ( 4828 PWs) bands (ev): -4.1827 -4.1827 -4.1616 -4.1616 -1.5573 -1.5573 -1.5208 -1.5208 -0.4730 -0.4730 -0.3681 -0.3681 1.1074 1.1074 1.3735 1.3735 1.6869 1.6869 1.8686 1.8686 3.1685 3.1685 3.3127 3.3127 4.1159 4.1159 4.3211 4.3211 4.4459 4.4459 4.8063 4.8063 5.5476 5.5476 5.8505 5.8505 6.2510 6.2510 6.5184 6.5184 7.1866 7.1866 8.0536 8.0536 8.6288 8.6288 8.7632 8.7632 9.9325 9.9325 10.6942 10.6942 10.8401 10.8401 11.3538 11.3538 11.5013 11.5013 12.3578 12.3578 12.5815 12.5815 12.7250 12.7250 13.1582 13.1582 13.3344 13.3344 k = 0.1067 0.0748 0.4168 ( 4835 PWs) bands (ev): -4.1678 -4.1678 -4.1427 -4.1427 -1.5739 -1.5739 -1.5342 -1.5342 -0.5268 -0.5268 -0.3871 -0.3871 1.0531 1.0531 1.3394 1.3394 1.6818 1.6818 1.8946 1.8946 3.2118 3.2118 3.3300 3.3300 4.1129 4.1129 4.3337 4.3337 4.4604 4.4604 4.7816 4.7816 5.6650 5.6650 5.9224 5.9224 6.3405 6.3405 6.5518 6.5518 7.1867 7.1867 8.1118 8.1118 8.6711 8.6711 8.7951 8.7951 9.8712 9.8712 10.6634 10.6634 10.8071 10.8071 11.2901 11.2901 11.5515 11.5515 12.2100 12.2100 12.5038 12.5038 12.6317 12.6317 13.1163 13.1163 13.2901 13.2901 k = 0.1220 0.0855 0.4168 ( 4839 PWs) bands (ev): -4.1503 -4.1503 -4.1213 -4.1213 -1.5918 -1.5918 -1.5500 -1.5500 -0.5885 -0.5885 -0.4083 -0.4083 1.0025 1.0025 1.3101 1.3101 1.6696 1.6696 1.9062 1.9062 3.2639 3.2639 3.3463 3.3463 4.1045 4.1045 4.3489 4.3489 4.4979 4.4979 4.7750 4.7750 5.7660 5.7660 6.0012 6.0012 6.4278 6.4278 6.5986 6.5986 7.2115 7.2115 8.1558 8.1558 8.7290 8.7290 8.8285 8.8285 9.8137 9.8137 10.5860 10.5860 10.7688 10.7688 11.2716 11.2716 11.5979 11.5979 12.0373 12.0373 12.4179 12.4179 12.5300 12.5300 13.0401 13.0401 13.2657 13.2657 k = 0.1372 0.0961 0.4168 ( 4841 PWs) bands (ev): -4.1305 -4.1305 -4.0972 -4.0972 -1.6107 -1.6107 -1.5683 -1.5683 -0.6574 -0.6574 -0.4312 -0.4312 0.9550 0.9550 1.2868 1.2868 1.6506 1.6506 1.9012 1.9012 3.3222 3.3222 3.3688 3.3688 4.0919 4.0919 4.3621 4.3621 4.5492 4.5492 4.7945 4.7945 5.8437 5.8437 6.1019 6.1019 6.4688 6.4688 6.6964 6.6964 7.2587 7.2587 8.1867 8.1867 8.7993 8.7993 8.8642 8.8642 9.7606 9.7606 10.4721 10.4721 10.7249 10.7249 11.2908 11.2908 11.6173 11.6173 11.8776 11.8776 12.3138 12.3138 12.4175 12.4175 12.9475 12.9475 13.2212 13.2212 k = 0.1525 0.1068 0.4168 ( 4843 PWs) bands (ev): -4.1083 -4.1083 -4.0704 -4.0704 -1.6305 -1.6305 -1.5890 -1.5890 -0.7325 -0.7325 -0.4556 -0.4556 0.9098 0.9098 1.2701 1.2701 1.6251 1.6251 1.8787 1.8787 3.3768 3.3768 3.4120 3.4120 4.0783 4.0783 4.3715 4.3715 4.5963 4.5963 4.8517 4.8517 5.9041 5.9041 6.2227 6.2227 6.4735 6.4735 6.8348 6.8348 7.3238 7.3238 8.2074 8.2074 8.8691 8.8691 8.9106 8.9106 9.7124 9.7124 10.3339 10.3339 10.6813 10.6813 11.3282 11.3282 11.5398 11.5398 11.8030 11.8030 12.1976 12.1976 12.2922 12.2922 12.8502 12.8502 13.1449 13.1449 k = 0.1677 0.1175 0.4168 ( 4848 PWs) bands (ev): -4.0838 -4.0838 -4.0411 -4.0411 -1.6509 -1.6509 -1.6122 -1.6122 -0.8126 -0.8126 -0.4813 -0.4813 0.8662 0.8662 1.2606 1.2606 1.5935 1.5935 1.8391 1.8391 3.4231 3.4231 3.4826 3.4826 4.0663 4.0663 4.3775 4.3775 4.6297 4.6297 4.9489 4.9489 5.9581 5.9581 6.3503 6.3503 6.4721 6.4721 6.9896 6.9896 7.4021 7.4021 8.2210 8.2210 8.9139 8.9139 8.9870 8.9870 9.6698 9.6698 10.1826 10.1826 10.6399 10.6399 11.3447 11.3447 11.3946 11.3946 11.7973 11.7973 12.0866 12.0866 12.1558 12.1558 12.7538 12.7538 13.0546 13.0546 k = 0.1829 0.1282 0.4168 ( 4842 PWs) bands (ev): -4.0571 -4.0571 -4.0092 -4.0092 -1.6716 -1.6716 -1.6379 -1.6379 -0.8962 -0.8962 -0.5081 -0.5081 0.8238 0.8238 1.2583 1.2583 1.5563 1.5563 1.7841 1.7841 3.4765 3.4765 3.5658 3.5658 4.0575 4.0575 4.3808 4.3808 4.6546 4.6546 5.0749 5.0749 6.0118 6.0118 6.4266 6.4266 6.5278 6.5278 7.1517 7.1517 7.4900 7.4900 8.2302 8.2302 8.9461 8.9461 9.0760 9.0760 9.6326 9.6326 10.0268 10.0268 10.6007 10.6007 11.1678 11.1678 11.4093 11.4093 11.7546 11.7546 12.0143 12.0143 12.0231 12.0231 12.6621 12.6621 12.9593 12.9593 k = 0.1982 0.1389 0.4168 ( 4840 PWs) bands (ev): -4.0283 -4.0283 -3.9748 -3.9748 -1.6927 -1.6927 -1.6664 -1.6664 -0.9817 -0.9817 -0.5358 -0.5358 0.7823 0.7823 1.2630 1.2630 1.5141 1.5141 1.7159 1.7159 3.5402 3.5402 3.6569 3.6569 4.0529 4.0529 4.3821 4.3821 4.6773 4.6773 5.2188 5.2188 6.0680 6.0680 6.4319 6.4319 6.6630 6.6630 7.3167 7.3167 7.5849 7.5849 8.2370 8.2370 8.9732 8.9732 9.1646 9.1646 9.5988 9.5988 9.8759 9.8759 10.5631 10.5631 10.9680 10.9680 11.4148 11.4148 11.6387 11.6387 11.8804 11.8804 12.0283 12.0283 12.5793 12.5793 12.8628 12.8628 k = 0.2134 0.1496 0.4168 ( 4841 PWs) bands (ev): -3.9975 -3.9975 -3.9378 -3.9378 -1.7138 -1.7138 -1.6979 -1.6979 -1.0676 -1.0676 -0.5642 -0.5642 0.7417 0.7417 1.2741 1.2741 1.4676 1.4676 1.6371 1.6371 3.6130 3.6130 3.7547 3.7547 4.0539 4.0539 4.3820 4.3820 4.7006 4.7006 5.3741 5.3741 6.1271 6.1271 6.4355 6.4355 6.8102 6.8102 7.4813 7.4813 7.6854 7.6854 8.2431 8.2431 8.9956 8.9956 9.2432 9.2432 9.5584 9.5584 9.7495 9.7495 10.5262 10.5262 10.7675 10.7675 11.3688 11.3688 11.4869 11.4869 11.7742 11.7742 12.0643 12.0643 12.5090 12.5090 12.7679 12.7679 k = 0.2287 0.1602 0.4168 ( 4842 PWs) bands (ev): -3.9648 -3.9648 -3.8983 -3.8983 -1.7362 -1.7362 -1.7317 -1.7317 -1.1520 -1.1520 -0.5934 -0.5934 0.7020 0.7020 1.2911 1.2911 1.4173 1.4173 1.5502 1.5502 3.6918 3.6918 3.8584 3.8584 4.0623 4.0623 4.3811 4.3811 4.7256 4.7256 5.5369 5.5369 6.1886 6.1886 6.4484 6.4484 6.9601 6.9601 7.6404 7.6404 7.7915 7.7915 8.2505 8.2505 9.0130 9.0130 9.2837 9.2837 9.5056 9.5056 9.6827 9.6827 10.4849 10.4849 10.5741 10.5741 11.2562 11.2562 11.3221 11.3221 11.7051 11.7051 12.1096 12.1096 12.4530 12.4530 12.6779 12.6779 k = 0.2439 0.1709 0.4168 ( 4838 PWs) bands (ev): -3.9305 -3.9305 -3.8563 -3.8563 -1.7734 -1.7734 -1.7547 -1.7547 -1.2332 -1.2332 -0.6231 -0.6231 0.6633 0.6633 1.3132 1.3132 1.3640 1.3640 1.4573 1.4573 3.7715 3.7715 3.9670 3.9670 4.0823 4.0823 4.3802 4.3802 4.7521 4.7521 5.7044 5.7044 6.2515 6.2515 6.4745 6.4745 7.1104 7.1104 7.7852 7.7852 7.9053 7.9053 8.2629 8.2629 9.0251 9.0251 9.2233 9.2233 9.5088 9.5088 9.6707 9.6707 10.3598 10.3598 10.4695 10.4695 11.0985 11.0985 11.1495 11.1495 11.6518 11.6518 12.1575 12.1575 12.4067 12.4067 12.5990 12.5990 k = 0.2592 0.1816 0.4168 ( 4843 PWs) bands (ev): -3.8947 -3.8947 -3.8119 -3.8119 -1.8180 -1.8180 -1.7750 -1.7750 -1.3094 -1.3094 -0.6534 -0.6534 0.6260 0.6260 1.3081 1.3081 1.3398 1.3398 1.3606 1.3606 3.8439 3.8439 4.0768 4.0768 4.1239 4.1239 4.3801 4.3801 4.7799 4.7799 5.8737 5.8737 6.3154 6.3154 6.5162 6.5162 7.2588 7.2588 7.9059 7.9059 8.0233 8.0233 8.2894 8.2894 9.0245 9.0245 9.1061 9.1061 9.5610 9.5610 9.6845 9.6845 10.1766 10.1766 10.4312 10.4312 10.9222 10.9222 10.9696 10.9696 11.5929 11.5929 12.1999 12.1999 12.3616 12.3616 12.5372 12.5372 k = 0.2744 0.1923 0.4168 ( 4857 PWs) bands (ev): -3.8577 -3.8577 -3.7651 -3.7651 -1.8683 -1.8683 -1.7946 -1.7946 -1.3790 -1.3790 -0.6842 -0.6842 0.5900 0.5900 1.2484 1.2484 1.2632 1.2632 1.3705 1.3705 3.8998 3.8998 4.1673 4.1673 4.2139 4.2139 4.3824 4.3824 4.8088 4.8088 6.0413 6.0413 6.3824 6.3824 6.5733 6.5733 7.4019 7.4019 8.0015 8.0015 8.1189 8.1189 8.3523 8.3523 8.9336 8.9336 9.0684 9.0684 9.6183 9.6183 9.7065 9.7065 10.0069 10.0069 10.3957 10.3957 10.7393 10.7393 10.7856 10.7856 11.5221 11.5221 12.2015 12.2015 12.3401 12.3401 12.4793 12.4793 k = 0.2897 0.2030 0.4168 ( 4856 PWs) bands (ev): -3.8197 -3.8197 -3.7159 -3.7159 -1.9245 -1.9245 -1.8134 -1.8134 -1.4407 -1.4407 -0.7154 -0.7154 0.5556 0.5556 1.1573 1.1573 1.1946 1.1946 1.4045 1.4045 3.9371 3.9371 4.2541 4.2541 4.3316 4.3316 4.3932 4.3932 4.8386 4.8386 6.2013 6.2013 6.4592 6.4592 6.6438 6.6438 7.5339 7.5339 8.0721 8.0721 8.1739 8.1739 8.4621 8.4621 8.8036 8.8036 9.0832 9.0832 9.6514 9.6514 9.7182 9.7182 9.8883 9.8883 10.3575 10.3575 10.5555 10.5555 10.6026 10.6026 11.4409 11.4409 12.1312 12.1312 12.3571 12.3571 12.4121 12.4121 k = 0.3049 0.2137 0.4168 ( 4860 PWs) bands (ev): -3.7814 -3.7814 -3.6645 -3.6645 -1.9859 -1.9859 -1.8315 -1.8315 -1.4943 -1.4943 -0.7471 -0.7471 0.5229 0.5229 1.0559 1.0559 1.1354 1.1354 1.4415 1.4415 3.9617 3.9617 4.3327 4.3327 4.4154 4.4154 4.4722 4.4722 4.8694 4.8694 6.3432 6.3432 6.5569 6.5569 6.7246 6.7246 7.6437 7.6437 8.1095 8.1095 8.2176 8.2176 8.5732 8.5732 8.7076 8.7076 9.1120 9.1120 9.5717 9.5717 9.7551 9.7551 9.8716 9.8716 10.3031 10.3031 10.3774 10.3774 10.4341 10.4341 11.3527 11.3527 12.0283 12.0283 12.2696 12.2696 12.4490 12.4490 k = 0.3202 0.2243 0.4168 ( 4860 PWs) bands (ev): -3.7431 -3.7431 -3.6108 -3.6108 -2.0513 -2.0513 -1.8486 -1.8486 -1.5399 -1.5399 -0.7793 -0.7793 0.4921 0.4921 0.9543 0.9543 1.0767 1.0767 1.4810 1.4810 3.9792 3.9792 4.3623 4.3623 4.5153 4.5153 4.6031 4.6031 4.9015 4.9015 6.4593 6.4593 6.6829 6.6829 6.8135 6.8135 7.7116 7.7116 8.1167 8.1167 8.2696 8.2696 8.5514 8.5514 8.7690 8.7690 9.1548 9.1548 9.4458 9.4458 9.8057 9.8057 9.9029 9.9029 10.1772 10.1772 10.2143 10.2143 10.3342 10.3342 11.2603 11.2603 11.9091 11.9091 12.1556 12.1556 12.5144 12.5144 k = 0.3354 0.2350 0.4168 ( 4854 PWs) bands (ev): -3.7057 -3.7057 -3.5549 -3.5549 -2.1186 -2.1186 -1.8646 -1.8646 -1.5785 -1.5785 -0.8120 -0.8120 0.4631 0.4631 0.8534 0.8534 1.0187 1.0187 1.5226 1.5226 3.9931 3.9931 4.3744 4.3744 4.6411 4.6411 4.7401 4.7401 4.9361 4.9361 6.5573 6.5573 6.8245 6.8245 6.9117 6.9117 7.7164 7.7164 8.1095 8.1095 8.3186 8.3186 8.5048 8.5048 8.8809 8.8809 9.2110 9.2110 9.3333 9.3333 9.8450 9.8450 9.9477 9.9477 10.0219 10.0219 10.0582 10.0582 10.2879 10.2879 11.1662 11.1662 11.7779 11.7779 12.0433 12.0433 12.5823 12.5823 k = 0.3507 0.2457 0.4168 ( 4851 PWs) bands (ev): -3.6698 -3.6698 -3.4969 -3.4969 -2.1857 -2.1857 -1.8796 -1.8796 -1.6109 -1.6109 -0.8452 -0.8452 0.4362 0.4362 0.7539 0.7539 0.9619 0.9619 1.5660 1.5660 4.0048 4.0048 4.3852 4.3852 4.7761 4.7761 4.8780 4.8780 4.9771 4.9771 6.6489 6.6489 6.9533 6.9533 7.0302 7.0302 7.6591 7.6591 8.0891 8.0891 8.3234 8.3234 8.5344 8.5344 8.9578 8.9578 9.2388 9.2388 9.2888 9.2888 9.8191 9.8191 9.9077 9.9077 9.9448 9.9448 10.0088 10.0088 10.2531 10.2531 11.0722 11.0722 11.6378 11.6378 11.9354 11.9354 12.5697 12.5697 k = 0.3659 0.2564 0.4168 ( 4854 PWs) bands (ev): -3.6368 -3.6368 -3.4370 -3.4370 -2.2502 -2.2502 -1.8934 -1.8934 -1.6382 -1.6382 -0.8790 -0.8790 0.4114 0.4114 0.6563 0.6563 0.9066 0.9066 1.6109 1.6109 4.0151 4.0151 4.3976 4.3976 4.9125 4.9125 4.9913 4.9913 5.0541 5.0541 6.7391 6.7391 7.0538 7.0538 7.1714 7.1714 7.5644 7.5644 8.0417 8.0417 8.2965 8.2965 8.6234 8.6234 8.9694 8.9694 9.1956 9.1956 9.3406 9.3406 9.7259 9.7259 9.8264 9.8264 9.9490 9.9490 10.0655 10.0655 10.2300 10.2300 10.9795 10.9795 11.4925 11.4925 11.8318 11.8318 12.4836 12.4836 k = 0.3811 0.2671 0.4168 ( 4862 PWs) bands (ev): -3.6079 -3.6079 -3.3752 -3.3752 -2.3097 -2.3097 -1.9060 -1.9060 -1.6610 -1.6610 -0.9134 -0.9134 0.3887 0.3887 0.5610 0.5610 0.8532 0.8532 1.6571 1.6571 4.0244 4.0244 4.4126 4.4126 5.0133 5.0133 5.0907 5.0907 5.1920 5.1920 6.8266 6.8266 7.1306 7.1306 7.3109 7.3109 7.4665 7.4665 7.9609 7.9609 8.2769 8.2769 8.7153 8.7153 8.9194 8.9194 9.1571 9.1571 9.3554 9.3554 9.6912 9.6912 9.8062 9.8062 9.9720 9.9720 10.0992 10.0992 10.2429 10.2429 10.8893 10.8893 11.3457 11.3457 11.7318 11.7318 12.3798 12.3798 k = 0.3964 0.2778 0.4168 ( 4865 PWs) bands (ev): -3.5848 -3.5848 -3.3116 -3.3116 -2.3618 -2.3618 -1.9174 -1.9174 -1.6800 -1.6800 -0.9485 -0.9485 0.3682 0.3682 0.4685 0.4685 0.8021 0.8021 1.7042 1.7042 4.0328 4.0328 4.4306 4.4306 5.0667 5.0667 5.2347 5.2347 5.3429 5.3429 6.9023 6.9023 7.1582 7.1582 7.3773 7.3773 7.4730 7.4730 7.8587 7.8587 8.2694 8.2694 8.7603 8.7603 8.8294 8.8294 9.1203 9.1203 9.3489 9.3489 9.7264 9.7264 9.8327 9.8327 9.9979 9.9979 10.1058 10.1058 10.3063 10.3063 10.8030 10.8030 11.2019 11.2019 11.6348 11.6348 12.2693 12.2693 k = 0.4116 0.2884 0.4168 ( 4866 PWs) bands (ev): -3.5691 -3.5691 -3.2464 -3.2464 -2.4042 -2.4042 -1.9275 -1.9275 -1.6956 -1.6956 -0.9844 -0.9844 0.3498 0.3498 0.3793 0.3793 0.7535 0.7535 1.7521 1.7521 4.0407 4.0407 4.4519 4.4519 5.1147 5.1147 5.3897 5.3897 5.4979 5.4979 6.9297 6.9297 7.1301 7.1301 7.4054 7.4054 7.5737 7.5737 7.7653 7.7653 8.2700 8.2700 8.6747 8.6747 8.7538 8.7538 9.1123 9.1123 9.3826 9.3826 9.7774 9.7774 9.8712 9.8712 10.0027 10.0027 10.1508 10.1508 10.3904 10.3904 10.7244 10.7244 11.0669 11.0669 11.5413 11.5413 12.1583 12.1583 k = 0.4269 0.2991 0.4168 ( 4866 PWs) bands (ev): -3.5627 -3.5627 -3.1798 -3.1798 -2.4347 -2.4347 -1.9363 -1.9363 -1.7080 -1.7080 -1.0210 -1.0210 0.2928 0.2928 0.3344 0.3344 0.7078 0.7078 1.8005 1.8005 4.0481 4.0481 4.4768 4.4768 5.1643 5.1643 5.5491 5.5491 5.6549 5.6549 6.8575 6.8575 7.1309 7.1309 7.4536 7.4536 7.5955 7.5955 7.7667 7.7667 8.2758 8.2758 8.5242 8.5242 8.6549 8.6549 9.1382 9.1382 9.4557 9.4557 9.8145 9.8145 9.8831 9.8831 10.0152 10.0152 10.2406 10.2406 10.4679 10.4679 10.6701 10.6701 10.9478 10.9478 11.4526 11.4526 12.0507 12.0507 k = 0.4421 0.3098 0.4168 ( 4866 PWs) bands (ev): -3.5668 -3.5668 -3.1119 -3.1119 -2.4518 -2.4518 -1.9438 -1.9438 -1.7174 -1.7174 -1.0585 -1.0585 0.2109 0.2109 0.3207 0.3207 0.6651 0.6651 1.8492 1.8492 4.0552 4.0552 4.5053 4.5053 5.2167 5.2167 5.7111 5.7111 5.8117 5.8117 6.7348 6.7348 7.1146 7.1146 7.4826 7.4826 7.5894 7.5894 7.8484 7.8484 8.2795 8.2795 8.3696 8.3696 8.5332 8.5332 9.1842 9.1842 9.5269 9.5269 9.8291 9.8291 9.8711 9.8711 10.0582 10.0582 10.3334 10.3334 10.5091 10.5091 10.6817 10.6817 10.8551 10.8551 11.3725 11.3725 11.9499 11.9499 k = 0.5000 0.3504-0.2255 ( 4856 PWs) bands (ev): -3.7323 -3.7323 -2.5954 -2.5954 -2.4581 -2.4581 -1.9966 -1.9966 -1.7979 -1.7979 -1.5155 -1.5155 -0.0500 -0.0500 0.8603 0.8603 1.0685 1.0685 1.3866 1.3866 3.6004 3.6004 4.5423 4.5423 5.5562 5.5562 5.7062 5.7062 6.5301 6.5301 6.7333 6.7333 6.8365 6.8365 7.2012 7.2012 7.2218 7.2218 7.4638 7.4638 7.6450 7.6450 8.7364 8.7364 8.9916 8.9916 9.1399 9.1399 9.5862 9.5862 10.0463 10.0463 10.6178 10.6178 10.7458 10.7458 10.9792 10.9792 11.1517 11.1517 11.3318 11.3318 11.3750 11.3750 11.4137 11.4137 11.6234 11.6234 k = 0.5100 0.3360-0.2255 ( 4850 PWs) bands (ev): -3.7322 -3.7322 -2.5944 -2.5944 -2.4587 -2.4587 -2.0212 -2.0212 -1.7723 -1.7723 -1.5154 -1.5154 -0.0508 -0.0508 0.8463 0.8463 1.0843 1.0843 1.3877 1.3877 3.6026 3.6026 4.5417 4.5417 5.5581 5.5581 5.7062 5.7062 6.4943 6.4943 6.7569 6.7569 6.8237 6.8237 7.1445 7.1445 7.2968 7.2968 7.4573 7.4573 7.6668 7.6668 8.7373 8.7373 8.9686 8.9686 9.1259 9.1259 9.6023 9.6023 10.0532 10.0532 10.6065 10.6065 10.7454 10.7454 10.9619 10.9619 11.1520 11.1520 11.3094 11.3094 11.3820 11.3820 11.4106 11.4106 11.5735 11.5735 k = 0.5201 0.3217-0.2255 ( 4854 PWs) bands (ev): -3.7318 -3.7318 -2.5913 -2.5913 -2.4609 -2.4609 -2.0739 -2.0739 -1.7162 -1.7162 -1.5152 -1.5152 -0.0533 -0.0533 0.8130 0.8130 1.1228 1.1228 1.3910 1.3910 3.6090 3.6090 4.5398 4.5398 5.5638 5.5638 5.7061 5.7061 6.4191 6.4191 6.7446 6.7446 6.8372 6.8372 7.1057 7.1057 7.3735 7.3735 7.4662 7.4662 7.7197 7.7197 8.7390 8.7390 8.9060 8.9060 9.0888 9.0888 9.6407 9.6407 10.0718 10.0718 10.5763 10.5763 10.7429 10.7429 10.9154 10.9154 11.1485 11.1485 11.2651 11.2651 11.3615 11.3615 11.4159 11.4159 11.5076 11.5076 k = 0.5301 0.3074-0.2255 ( 4862 PWs) bands (ev): -3.7312 -3.7312 -2.5861 -2.5861 -2.4658 -2.4658 -2.1325 -2.1325 -1.6507 -1.6507 -1.5148 -1.5148 -0.0572 -0.0572 0.7725 0.7725 1.1723 1.1723 1.3965 1.3965 3.6195 3.6195 4.5366 4.5366 5.5733 5.5733 5.7060 5.7060 6.3325 6.3325 6.6707 6.6707 6.8796 6.8796 7.0901 7.0901 7.4054 7.4054 7.5408 7.5408 7.7885 7.7885 8.7377 8.7377 8.8177 8.8177 9.0391 9.0391 9.6813 9.6813 10.0971 10.0971 10.5358 10.5358 10.7351 10.7351 10.8495 10.8495 11.1350 11.1350 11.2124 11.2124 11.3181 11.3181 11.3957 11.3957 11.4845 11.4845 k = 0.5402 0.2930-0.2255 ( 4856 PWs) bands (ev): -3.7307 -3.7307 -2.5789 -2.5789 -2.4755 -2.4755 -2.1876 -2.1876 -1.5834 -1.5834 -1.5143 -1.5143 -0.0625 -0.0625 0.7311 0.7311 1.2267 1.2267 1.4042 1.4042 3.6339 3.6339 4.5319 4.5319 5.5864 5.5864 5.7060 5.7060 6.2430 6.2430 6.5804 6.5804 6.9047 6.9047 7.0881 7.0881 7.4389 7.4389 7.6413 7.6413 7.8663 7.8663 8.7130 8.7130 8.7280 8.7280 8.9902 8.9902 9.7051 9.7051 10.1228 10.1228 10.4972 10.4972 10.7074 10.7074 10.7843 10.7843 11.1096 11.1096 11.1600 11.1600 11.2660 11.2660 11.3490 11.3490 11.4940 11.4940 k = 0.5502 0.2787-0.2255 ( 4852 PWs) bands (ev): -3.7303 -3.7303 -2.5697 -2.5697 -2.4933 -2.4933 -2.2331 -2.2331 -1.5175 -1.5175 -1.5138 -1.5138 -0.0689 -0.0689 0.6919 0.6919 1.2834 1.2834 1.4139 1.4139 3.6519 3.6519 4.5258 4.5258 5.6027 5.6027 5.7064 5.7064 6.1537 6.1537 6.4848 6.4848 6.9091 6.9091 7.0911 7.0911 7.4988 7.4988 7.7381 7.7381 7.9508 7.9508 8.6112 8.6112 8.6888 8.6888 8.9592 8.9592 9.6965 9.6965 10.1420 10.1420 10.4719 10.4719 10.6304 10.6304 10.7580 10.7580 11.0732 11.0732 11.1140 11.1140 11.2097 11.2097 11.3001 11.3001 11.5067 11.5067 k = 0.5603 0.2643-0.2255 ( 4848 PWs) bands (ev): -3.7305 -3.7305 -2.5585 -2.5585 -2.5217 -2.5217 -2.2647 -2.2647 -1.5134 -1.5134 -1.4548 -1.4548 -0.0761 -0.0761 0.6569 0.6569 1.3407 1.3407 1.4257 1.4257 3.6732 3.6732 4.5181 4.5181 5.6215 5.6215 5.7072 5.7072 6.0668 6.0668 6.3885 6.3885 6.8993 6.8993 7.0960 7.0960 7.5819 7.5819 7.8149 7.8149 8.0413 8.0413 8.5176 8.5176 8.6235 8.6235 8.9542 8.9542 9.6481 9.6481 10.1439 10.1439 10.4644 10.4644 10.5366 10.5366 10.7537 10.7537 11.0301 11.0301 11.0738 11.0738 11.1504 11.1504 11.2541 11.2541 11.5166 11.5166 k = 0.5703 0.2500-0.2255 ( 4854 PWs) bands (ev): -3.7316 -3.7316 -2.5613 -2.5613 -2.5446 -2.5446 -2.2817 -2.2817 -1.5131 -1.5131 -1.3968 -1.3968 -0.0838 -0.0838 0.6273 0.6273 1.3970 1.3970 1.4405 1.4405 3.6972 3.6972 4.5088 4.5088 5.6409 5.6409 5.7081 5.7081 5.9852 5.9852 6.2943 6.2943 6.8818 6.8818 7.1028 7.1028 7.6798 7.6798 7.8515 7.8515 8.1341 8.1341 8.4516 8.4516 8.5449 8.5449 8.9680 8.9680 9.5635 9.5635 10.1110 10.1110 10.4388 10.4388 10.4911 10.4911 10.7572 10.7572 10.9864 10.9864 11.0358 11.0358 11.0903 11.0903 11.2123 11.2123 11.5231 11.5231 k = 0.5804 0.2357-0.2255 ( 4852 PWs) bands (ev): -3.7340 -3.7340 -2.6064 -2.6064 -2.5298 -2.5298 -2.2868 -2.2868 -1.5130 -1.5130 -1.3448 -1.3448 -0.0916 -0.0916 0.6044 0.6044 1.4426 1.4426 1.4672 1.4672 3.7234 3.7234 4.4979 4.4979 5.6573 5.6573 5.7063 5.7063 5.9157 5.9157 6.2037 6.2037 6.8617 6.8617 7.1120 7.1120 7.7828 7.7828 7.8329 7.8329 8.2071 8.2071 8.4304 8.4304 8.4859 8.4859 8.9915 8.9915 9.4520 9.4520 10.0325 10.0325 10.3821 10.3821 10.5120 10.5120 10.7628 10.7628 10.9483 10.9483 10.9950 10.9950 11.0365 11.0365 11.1749 11.1749 11.5265 11.5265 k = 0.5904 0.2213-0.2255 ( 4858 PWs) bands (ev): -3.7384 -3.7384 -2.6541 -2.6541 -2.5128 -2.5128 -2.2837 -2.2837 -1.5132 -1.5132 -1.2997 -1.2997 -0.0991 -0.0991 0.5892 0.5892 1.4645 1.4645 1.5184 1.5184 3.7512 3.7512 4.4855 4.4855 5.6605 5.6605 5.6963 5.6963 5.8740 5.8740 6.1183 6.1183 6.8419 6.8419 7.1237 7.1237 7.7523 7.7523 7.8899 7.8899 8.2065 8.2065 8.4616 8.4616 8.5011 8.5011 9.0183 9.0183 9.3226 9.3226 9.9207 9.9207 10.3370 10.3370 10.5359 10.5359 10.7653 10.7653 10.9154 10.9154 10.9503 10.9503 11.0020 11.0020 11.1425 11.1425 11.5276 11.5276 k = 0.6005 0.2070-0.2255 ( 4856 PWs) bands (ev): -3.7454 -3.7454 -2.7006 -2.7006 -2.4939 -2.4939 -2.2749 -2.2749 -1.5138 -1.5138 -1.2626 -1.2626 -0.1061 -0.1061 0.5823 0.5823 1.4826 1.4826 1.5737 1.5737 3.7798 3.7798 4.4719 4.4719 5.6206 5.6206 5.6957 5.6957 5.8717 5.8717 6.0398 6.0398 6.8244 6.8244 7.1375 7.1375 7.6430 7.6430 7.9490 7.9490 8.1769 8.1769 8.5194 8.5194 8.5902 8.5902 9.0418 9.0418 9.1825 9.1825 9.7954 9.7954 10.2953 10.2953 10.5435 10.5435 10.7673 10.7673 10.8689 10.8689 10.9181 10.9181 10.9939 10.9939 11.1172 11.1172 11.5275 11.5275 k = 0.6105 0.1927-0.2255 ( 4850 PWs) bands (ev): -3.7556 -3.7556 -2.7434 -2.7434 -2.4733 -2.4733 -2.2620 -2.2620 -1.5148 -1.5148 -1.2339 -1.2339 -0.1119 -0.1119 0.5842 0.5842 1.5010 1.5010 1.6288 1.6288 3.8086 3.8086 4.4572 4.4572 5.5507 5.5507 5.7033 5.7033 5.8921 5.8921 5.9737 5.9737 6.8104 6.8104 7.1532 7.1532 7.5152 7.5152 7.8978 7.8978 8.2350 8.2350 8.5849 8.5849 8.7050 8.7050 9.0238 9.0238 9.0672 9.0672 9.6729 9.6729 10.2523 10.2523 10.5247 10.5247 10.7697 10.7697 10.8235 10.8235 10.8889 10.8889 11.0053 11.0053 11.1055 11.1055 11.5274 11.5274 k = 0.3895-0.5558-0.0000 ( 4850 PWs) bands (ev): -3.7556 -3.7556 -2.7434 -2.7434 -2.4733 -2.4733 -2.2620 -2.2620 -1.5148 -1.5148 -1.2339 -1.2339 -0.1119 -0.1119 0.5842 0.5842 1.5010 1.5010 1.6288 1.6288 3.8086 3.8086 4.4572 4.4572 5.5507 5.5507 5.7033 5.7033 5.8921 5.8921 5.9737 5.9737 6.8104 6.8104 7.1532 7.1532 7.5152 7.5152 7.8978 7.8978 8.2350 8.2350 8.5849 8.5849 8.7050 8.7050 9.0238 9.0238 9.0672 9.0672 9.6729 9.6729 10.2523 10.2523 10.5247 10.5247 10.7697 10.7697 10.8235 10.8235 10.8889 10.8889 11.0053 11.0053 11.1055 11.1055 11.5274 11.5274 k = 0.3787-0.5404-0.0000 ( 4848 PWs) bands (ev): -3.7709 -3.7709 -2.7834 -2.7834 -2.4493 -2.4493 -2.2447 -2.2447 -1.5166 -1.5166 -1.2127 -1.2127 -0.1167 -0.1167 0.5962 0.5962 1.5216 1.5216 1.6870 1.6870 3.8391 3.8391 4.4406 4.4406 5.4643 5.4643 5.7132 5.7132 5.8772 5.8772 5.9641 5.9641 6.7996 6.7996 7.1713 7.1713 7.3684 7.3684 7.7761 7.7761 8.3557 8.3557 8.6553 8.6553 8.8249 8.8249 8.8752 8.8752 9.0535 9.0535 9.5634 9.5634 10.2036 10.2036 10.4816 10.4816 10.7330 10.7330 10.8225 10.8225 10.8577 10.8577 11.0140 11.0140 11.1216 11.1216 11.5289 11.5289 k = 0.3679-0.5250-0.0000 ( 4840 PWs) bands (ev): -3.7913 -3.7913 -2.8157 -2.8157 -2.4235 -2.4235 -2.2246 -2.2246 -1.5190 -1.5190 -1.2015 -1.2015 -0.1194 -0.1194 0.6181 0.6181 1.5427 1.5427 1.7438 1.7438 3.8680 3.8680 4.4234 4.4234 5.3738 5.3738 5.7220 5.7220 5.8255 5.8255 6.0124 6.0124 6.7935 6.7935 7.1789 7.1789 7.2297 7.2297 7.6361 7.6361 8.4871 8.4871 8.6738 8.6738 8.7499 8.7499 8.9266 8.9266 9.0355 9.0355 9.4991 9.4991 10.1529 10.1529 10.4276 10.4276 10.6808 10.6808 10.8200 10.8200 10.8466 10.8466 11.0149 11.0149 11.1651 11.1651 11.5341 11.5341 k = 0.3570-0.5095-0.0000 ( 4848 PWs) bands (ev): -3.8171 -3.8171 -2.8394 -2.8394 -2.3961 -2.3961 -2.2022 -2.2022 -1.5221 -1.5221 -1.1998 -1.1998 -0.1197 -0.1197 0.6492 0.6492 1.5644 1.5644 1.7991 1.7991 3.8948 3.8948 4.4063 4.4063 5.2818 5.2818 5.7189 5.7189 5.7913 5.7913 6.0713 6.0713 6.7910 6.7910 7.0588 7.0588 7.2201 7.2201 7.4915 7.4915 8.4962 8.4962 8.6508 8.6508 8.7680 8.7680 8.8883 8.8883 9.1140 9.1140 9.4858 9.4858 10.1009 10.1009 10.3709 10.3709 10.6343 10.6343 10.7967 10.7967 10.8508 10.8508 11.0203 11.0203 11.2215 11.2215 11.5453 11.5453 k = 0.3462-0.4941-0.0000 ( 4848 PWs) bands (ev): -3.8485 -3.8485 -2.8541 -2.8541 -2.3674 -2.3674 -2.1779 -2.1779 -1.5256 -1.5256 -1.2064 -1.2064 -0.1171 -0.1171 0.6881 0.6881 1.5864 1.5864 1.8526 1.8526 3.9187 3.9187 4.3896 4.3896 5.1895 5.1895 5.6916 5.6916 5.7905 5.7905 6.1339 6.1339 6.7864 6.7864 6.9198 6.9198 7.2314 7.2314 7.3553 7.3553 8.3347 8.3347 8.6735 8.6735 8.7886 8.7886 8.8930 8.8930 9.2087 9.2087 9.5131 9.5131 10.0481 10.0481 10.3161 10.3161 10.5978 10.5978 10.7792 10.7792 10.8463 10.8463 11.0309 11.0309 11.2837 11.2837 11.5646 11.5646 k = 0.3354-0.4786-0.0000 ( 4846 PWs) bands (ev): -3.8849 -3.8849 -2.8599 -2.8599 -2.3376 -2.3376 -2.1520 -2.1520 -1.5296 -1.5296 -1.2202 -1.2202 -0.1115 -0.1115 0.7334 0.7334 1.6086 1.6086 1.9043 1.9043 3.9396 3.9396 4.3738 4.3738 5.0977 5.0977 5.6576 5.6576 5.8038 5.8038 6.1963 6.1963 6.7334 6.7334 6.8391 6.8391 7.1672 7.1672 7.3002 7.3002 8.1656 8.1656 8.5232 8.5232 8.8954 8.8954 8.9557 8.9557 9.2768 9.2768 9.5722 9.5722 9.9954 9.9954 10.2662 10.2662 10.5731 10.5731 10.7710 10.7710 10.8393 10.8393 11.0416 11.0416 11.3492 11.3492 11.5932 11.5932 k = 0.3246-0.4632-0.0000 ( 4850 PWs) bands (ev): -3.9260 -3.9260 -2.8571 -2.8571 -2.3071 -2.3071 -2.1248 -2.1248 -1.5336 -1.5336 -1.2398 -1.2398 -0.1026 -0.1026 0.7836 0.7836 1.6307 1.6307 1.9539 1.9539 3.9573 3.9573 4.3594 4.3594 5.0069 5.0069 5.6274 5.6274 5.8156 5.8156 6.2537 6.2537 6.6199 6.6199 6.8317 6.8317 7.0427 7.0427 7.3179 7.3179 7.9973 7.9973 8.3554 8.3554 8.9310 8.9310 9.0744 9.0744 9.3183 9.3183 9.6491 9.6491 9.9453 9.9453 10.2241 10.2241 10.5589 10.5589 10.7735 10.7735 10.8389 10.8389 11.0493 11.0493 11.4169 11.4169 11.6316 11.6316 k = 0.3138-0.4478-0.0000 ( 4858 PWs) bands (ev): -3.9708 -3.9708 -2.8466 -2.8466 -2.2763 -2.2763 -2.0968 -2.0968 -1.5372 -1.5372 -1.2638 -1.2638 -0.0903 -0.0903 0.8370 0.8370 1.6526 1.6526 2.0012 2.0012 3.9721 3.9721 4.3469 4.3469 4.9174 4.9174 5.6028 5.6028 5.8155 5.8155 6.2971 6.2971 6.5185 6.5185 6.8128 6.8128 6.9504 6.9504 7.3449 7.3449 7.8322 7.8322 8.1818 8.1818 8.9398 8.9398 9.1775 9.1775 9.3568 9.3568 9.7169 9.7169 9.9082 9.9082 10.1936 10.1936 10.5507 10.5507 10.7868 10.7868 10.8542 10.8542 11.0550 11.0550 11.4863 11.4863 11.6789 11.6789 k = 0.3029-0.4323-0.0000 ( 4860 PWs) bands (ev): -4.0186 -4.0186 -2.8289 -2.8289 -2.2458 -2.2458 -2.0682 -2.0682 -1.5398 -1.5398 -1.2910 -1.2910 -0.0746 -0.0746 0.8921 0.8921 1.6741 1.6741 2.0461 2.0461 3.9844 3.9844 4.3366 4.3366 4.8296 4.8296 5.5825 5.5825 5.7927 5.7927 6.3102 6.3102 6.4504 6.4504 6.7470 6.7470 6.9373 6.9373 7.3734 7.3734 7.6725 7.6725 8.0075 8.0075 8.9311 8.9311 9.2218 9.2218 9.4273 9.4273 9.7345 9.7345 9.9130 9.9130 10.1800 10.1800 10.5430 10.5430 10.8090 10.8090 10.8917 10.8917 11.0635 11.0635 11.5573 11.5573 11.7338 11.7338 k = 0.2921-0.4169-0.0000 ( 4860 PWs) bands (ev): -4.0684 -4.0684 -2.8050 -2.8050 -2.2162 -2.2162 -2.0395 -2.0395 -1.5408 -1.5408 -1.3198 -1.3198 -0.0555 -0.0555 0.9477 0.9477 1.6951 1.6951 2.0883 2.0883 3.9948 3.9948 4.3288 4.3288 4.7437 4.7437 5.5614 5.5614 5.7434 5.7434 6.2821 6.2821 6.4090 6.4090 6.7000 6.7000 6.9615 6.9615 7.3987 7.3987 7.5220 7.5220 7.8376 7.8376 8.9073 8.9073 9.2175 9.2175 9.5120 9.5120 9.7010 9.7010 9.9586 9.9586 10.1887 10.1887 10.5332 10.5332 10.8339 10.8339 10.9533 10.9533 11.0830 11.0830 11.6300 11.6300 11.7954 11.7954 k = 0.2813-0.4014-0.0000 ( 4846 PWs) bands (ev): -4.1196 -4.1196 -2.7756 -2.7756 -2.1883 -2.1883 -2.0115 -2.0115 -1.5392 -1.5392 -1.3490 -1.3490 -0.0330 -0.0330 1.0025 1.0025 1.7155 1.7155 2.1273 2.1273 4.0042 4.0042 4.3240 4.3240 4.6599 4.6599 5.5240 5.5240 5.6849 5.6849 6.2048 6.2048 6.3935 6.3935 6.6992 6.6992 6.9946 6.9946 7.3761 7.3761 7.4210 7.4210 7.6842 7.6842 8.8708 8.8708 9.1925 9.1925 9.5614 9.5614 9.6632 9.6632 10.0183 10.0183 10.2194 10.2194 10.5237 10.5237 10.8527 10.8527 11.0343 11.0343 11.1251 11.1251 11.7045 11.7045 11.8627 11.8627 k = 0.2705-0.3860-0.0000 ( 4838 PWs) bands (ev): -4.1714 -4.1714 -2.7413 -2.7413 -2.1629 -2.1629 -1.9848 -1.9848 -1.5341 -1.5341 -1.3772 -1.3772 -0.0074 -0.0074 1.0555 1.0555 1.7350 1.7350 2.1630 2.1630 4.0134 4.0134 4.3220 4.3220 4.5788 4.5788 5.4474 5.4474 5.6488 5.6488 6.0892 6.0892 6.4071 6.4071 6.7198 6.7198 7.0211 7.0211 7.2694 7.2694 7.3800 7.3800 7.5900 7.5900 8.8245 8.8245 9.1580 9.1580 9.5374 9.5374 9.6571 9.6571 10.0847 10.0847 10.2672 10.2672 10.5197 10.5197 10.8623 10.8623 11.1210 11.1210 11.2011 11.2011 11.7812 11.7812 11.9355 11.9355 k = 0.2597-0.3706-0.0000 ( 4836 PWs) bands (ev): -4.2233 -4.2233 -2.7028 -2.7028 -2.1410 -2.1410 -1.9603 -1.9603 -1.5245 -1.5245 -1.4029 -1.4029 0.0211 0.0211 1.1058 1.1058 1.7538 1.7538 2.1949 2.1949 4.0233 4.0233 4.3223 4.3223 4.5010 4.5010 5.3379 5.3379 5.6348 5.6348 5.9600 5.9600 6.4338 6.4338 6.7349 6.7349 7.0119 7.0119 7.2060 7.2060 7.2831 7.2831 7.5830 7.5830 8.7715 8.7715 9.1188 9.1188 9.4780 9.4780 9.6536 9.6536 10.1396 10.1396 10.3332 10.3332 10.5266 10.5266 10.8684 10.8684 11.2048 11.2048 11.3104 11.3104 11.8603 11.8603 12.0139 12.0139 k = 0.2488-0.3551-0.0000 ( 4836 PWs) bands (ev): -4.2748 -4.2748 -2.6605 -2.6605 -2.1233 -2.1233 -1.9392 -1.9392 -1.5095 -1.5095 -1.4248 -1.4248 0.0524 0.0524 1.1529 1.1529 1.7716 1.7716 2.2227 2.2227 4.0349 4.0349 4.3219 4.3219 4.4302 4.4302 5.2146 5.2146 5.6213 5.6213 5.8336 5.8336 6.4617 6.4617 6.7240 6.7240 6.9494 6.9494 7.1434 7.1434 7.2596 7.2596 7.6100 7.6100 8.7149 8.7149 9.0778 9.0778 9.4115 9.4115 9.6382 9.6382 10.1653 10.1653 10.4140 10.4140 10.5468 10.5468 10.8815 10.8815 11.2899 11.2899 11.4374 11.4374 11.9419 11.9419 12.0985 12.0985 k = 0.2380-0.3397-0.0000 ( 4838 PWs) bands (ev): -4.3256 -4.3256 -2.6149 -2.6149 -2.1104 -2.1104 -1.9229 -1.9229 -1.4884 -1.4884 -1.4411 -1.4411 0.0860 0.0860 1.1961 1.1961 1.7885 1.7885 2.2461 2.2461 4.0489 4.0489 4.3040 4.3040 4.3831 4.3831 5.0869 5.0869 5.5792 5.5792 5.7331 5.7331 6.4826 6.4826 6.6809 6.6809 6.8443 6.8443 7.1137 7.1137 7.2987 7.2987 7.6470 7.6470 8.6578 8.6578 9.0372 9.0372 9.3437 9.3437 9.6153 9.6153 10.1664 10.1664 10.4860 10.4860 10.5799 10.5799 10.9156 10.9156 11.3784 11.3784 11.5710 11.5710 12.0261 12.0261 12.1907 12.1907 k = 0.2272-0.3242-0.0000 ( 4832 PWs) bands (ev): -4.3753 -4.3753 -2.5665 -2.5665 -2.1023 -2.1023 -1.9123 -1.9123 -1.4613 -1.4613 -1.4503 -1.4503 0.1216 0.1216 1.2352 1.2352 1.8045 1.8045 2.2647 2.2647 4.0660 4.0660 4.2498 4.2498 4.3786 4.3786 4.9594 4.9594 5.4838 5.4838 5.6769 5.6769 6.4925 6.4925 6.5982 6.5982 6.7503 6.7503 7.1293 7.1293 7.3490 7.3490 7.6885 7.6885 8.6039 8.6039 8.9988 8.9988 9.2768 9.2768 9.5890 9.5890 10.1533 10.1533 10.5282 10.5282 10.6219 10.6219 10.9823 10.9823 11.4699 11.4699 11.7050 11.7050 12.1125 12.1125 12.2922 12.2922 k = 0.2164-0.3088-0.0000 ( 4836 PWs) bands (ev): -4.4236 -4.4236 -2.5158 -2.5158 -2.0991 -2.0991 -1.9082 -1.9082 -1.4526 -1.4526 -1.4271 -1.4271 0.1588 0.1588 1.2699 1.2699 1.8196 1.8196 2.2782 2.2782 4.0864 4.0864 4.1836 4.1836 4.3925 4.3925 4.8347 4.8347 5.3630 5.3630 5.6314 5.6314 6.4571 6.4571 6.5050 6.5050 6.7141 6.7141 7.1596 7.1596 7.4001 7.4001 7.7321 7.7321 8.5570 8.5570 8.9645 8.9645 9.2120 9.2120 9.5617 9.5617 10.1328 10.1328 10.5428 10.5428 10.6643 10.6643 11.0786 11.0786 11.5643 11.5643 11.8348 11.8348 12.1999 12.1999 12.4048 12.4048 k = 0.2056-0.2934-0.0000 ( 4829 PWs) bands (ev): -4.4704 -4.4704 -2.4631 -2.4631 -2.1000 -2.1000 -1.9104 -1.9104 -1.4466 -1.4466 -1.3876 -1.3876 0.1971 0.1971 1.3001 1.3001 1.8340 1.8340 2.2866 2.2866 4.1032 4.1032 4.1238 4.1238 4.4134 4.4134 4.7147 4.7147 5.2391 5.2391 5.5722 5.5722 6.3034 6.3034 6.5200 6.5200 6.7074 6.7074 7.1883 7.1883 7.4474 7.4474 7.7763 7.7763 8.5220 8.5220 8.9359 8.9359 9.1504 9.1504 9.5351 9.5351 10.1088 10.1088 10.5398 10.5398 10.7054 10.7054 11.1899 11.1899 11.6626 11.6626 11.9580 11.9580 12.2866 12.2866 12.5296 12.5296 k = 0.1947-0.2779-0.0000 ( 4831 PWs) bands (ev): -4.5155 -4.5155 -2.4090 -2.4090 -2.1046 -2.1046 -1.9179 -1.9179 -1.4339 -1.4339 -1.3428 -1.3428 0.2361 0.2361 1.3258 1.3258 1.8479 1.8479 2.2897 2.2897 4.0462 4.0462 4.1426 4.1426 4.4381 4.4381 4.6010 4.6010 5.1190 5.1190 5.4949 5.4949 6.1421 6.1421 6.5580 6.5580 6.7084 6.7084 7.2070 7.2070 7.4877 7.4877 7.8193 7.8193 8.5037 8.5037 8.9143 8.9143 9.0930 9.0930 9.5102 9.5102 10.0837 10.0837 10.5266 10.5266 10.7462 10.7462 11.3029 11.3029 11.7666 11.7666 12.0736 12.0736 12.3705 12.3705 12.6656 12.6656 k = 0.1839-0.2625-0.0000 ( 4835 PWs) bands (ev): -4.5586 -4.5586 -2.3543 -2.3543 -2.1121 -2.1121 -1.9290 -1.9290 -1.4156 -1.4156 -1.2936 -1.2936 0.2751 0.2751 1.3471 1.3471 1.8613 1.8613 2.2876 2.2876 3.9811 3.9811 4.1739 4.1739 4.4615 4.4615 4.4989 4.4989 5.0068 5.0068 5.4028 5.4028 5.9803 5.9803 6.6169 6.6169 6.7084 6.7084 7.2116 7.2116 7.5176 7.5176 7.8598 7.8598 8.5062 8.5062 8.8999 8.8999 9.0416 9.0416 9.4876 9.4876 10.0586 10.0586 10.5080 10.5080 10.7871 10.7871 11.4093 11.4093 11.8778 11.8778 12.1826 12.1826 12.4496 12.4496 12.8096 12.8096 k = 0.1731-0.2470-0.0000 ( 4833 PWs) bands (ev): -4.5997 -4.5997 -2.3001 -2.3001 -2.1218 -2.1218 -1.9415 -1.9415 -1.3935 -1.3935 -1.2405 -1.2405 0.3137 0.3137 1.3642 1.3642 1.8747 1.8747 2.2805 2.2805 3.9173 3.9173 4.2040 4.2040 4.4003 4.4003 4.4932 4.4932 4.9072 4.9072 5.3009 5.3009 5.8201 5.8201 6.6854 6.6854 6.7113 6.7113 7.2007 7.2007 7.5350 7.5350 7.8971 7.8971 8.5316 8.5316 8.8902 8.8902 8.9998 8.9998 9.4677 9.4677 10.0343 10.0343 10.4869 10.4869 10.8277 10.8277 11.5050 11.5050 11.9957 11.9957 12.2862 12.2862 12.5218 12.5218 12.9551 12.9551 k = 0.1623-0.2316-0.0000 ( 4829 PWs) bands (ev): -4.6388 -4.6388 -2.2481 -2.2481 -2.1330 -2.1330 -1.9526 -1.9526 -1.3690 -1.3690 -1.1845 -1.1845 0.3513 0.3513 1.3773 1.3773 1.8882 1.8882 2.2687 2.2687 3.8552 3.8552 4.2114 4.2114 4.3432 4.3432 4.5085 4.5085 4.8292 4.8292 5.1936 5.1936 5.6625 5.6625 6.6843 6.6843 6.7894 6.7894 7.1747 7.1747 7.5403 7.5403 7.9311 7.9311 8.5785 8.5785 8.8768 8.8768 8.9766 8.9766 9.4508 9.4508 10.0113 10.0113 10.4649 10.4649 10.8677 10.8677 11.5895 11.5895 12.1165 12.1165 12.3860 12.3860 12.5859 12.5859 13.0888 13.0888 k = 0.1515-0.2162-0.0000 ( 4827 PWs) bands (ev): -4.6755 -4.6755 -2.2015 -2.2015 -2.1453 -2.1453 -1.9583 -1.9583 -1.3434 -1.3434 -1.1261 -1.1261 0.3870 0.3870 1.3867 1.3867 1.9021 1.9021 2.2526 2.2526 3.7950 3.7950 4.1649 4.1649 4.3496 4.3496 4.5031 4.5031 4.7867 4.7867 5.0847 5.0847 5.5082 5.5082 6.6608 6.6608 6.8888 6.8888 7.1359 7.1359 7.5371 7.5371 7.9617 7.9617 8.6428 8.6428 8.8517 8.8517 8.9797 8.9797 9.4371 9.4371 9.9898 9.9898 10.4431 10.4431 10.9062 10.9062 11.6645 11.6645 12.2319 12.2319 12.4831 12.4831 12.6433 12.6433 13.1786 13.1786 k = 0.1407-0.2007-0.0000 ( 4829 PWs) bands (ev): -4.7100 -4.7100 -2.1660 -2.1660 -2.1578 -2.1578 -1.9529 -1.9529 -1.3180 -1.3180 -1.0660 -1.0660 0.4204 0.4204 1.3927 1.3927 1.9167 1.9167 2.2327 2.2327 3.7371 3.7371 4.0972 4.0972 4.3763 4.3763 4.4807 4.4807 4.7851 4.7851 4.9782 4.9782 5.3579 5.3579 6.6259 6.6259 6.9858 6.9858 7.0935 7.0935 7.5305 7.5305 7.9886 7.9886 8.7186 8.7186 8.8210 8.8210 9.0028 9.0028 9.4267 9.4267 9.9701 9.9701 10.4224 10.4224 10.9425 10.9425 11.7324 11.7324 12.3273 12.3273 12.5777 12.5777 12.7022 12.7022 13.1866 13.1866 k = 0.1298-0.1853-0.0000 ( 4815 PWs) bands (ev): -4.7422 -4.7422 -2.1711 -2.1711 -2.1458 -2.1458 -1.9308 -1.9308 -1.2936 -1.2936 -1.0049 -1.0049 0.4508 0.4508 1.3957 1.3957 1.9322 1.9322 2.2098 2.2098 3.6817 3.6817 4.0311 4.0311 4.3608 4.3608 4.4938 4.4938 4.7983 4.7983 4.8895 4.8895 5.2124 5.2124 6.5795 6.5795 6.9958 6.9958 7.1289 7.1289 7.5268 7.5268 8.0120 8.0120 8.7733 8.7733 8.8182 8.8182 9.0383 9.0383 9.4197 9.4197 9.9522 9.9522 10.4033 10.4033 10.9753 10.9753 11.7951 11.7951 12.3838 12.3838 12.6702 12.6702 12.7781 12.7781 13.1663 13.1663 k = 0.1190-0.1698-0.0000 ( 4811 PWs) bands (ev): -4.7719 -4.7719 -2.1838 -2.1838 -2.1414 -2.1414 -1.8926 -1.8926 -1.2710 -1.2710 -0.9435 -0.9435 0.4776 0.4776 1.3960 1.3960 1.9488 1.9488 2.1847 2.1847 3.6296 3.6296 3.9714 3.9714 4.3070 4.3070 4.5464 4.5464 4.7419 4.7419 4.8899 4.8899 5.0733 5.0733 6.5222 6.5222 6.9298 6.9298 7.2248 7.2248 7.5345 7.5345 8.0317 8.0317 8.7496 8.7496 8.8985 8.8985 9.0821 9.0821 9.4163 9.4163 9.9363 9.9363 10.3863 10.3863 11.0035 11.0035 11.8536 11.8536 12.3945 12.3945 12.7621 12.7621 12.8774 12.8774 13.1451 13.1451 k = 0.1082-0.1544-0.0000 ( 4815 PWs) bands (ev): -4.7992 -4.7992 -2.1962 -2.1962 -2.1465 -2.1465 -1.8440 -1.8440 -1.2511 -1.2511 -0.8823 -0.8823 0.5003 0.5003 1.3941 1.3941 1.9665 1.9665 2.1580 2.1580 3.5812 3.5812 3.9195 3.9195 4.2472 4.2472 4.6031 4.6031 4.6575 4.6575 4.9113 4.9113 4.9699 4.9699 6.4548 6.4548 6.8503 6.8503 7.3062 7.3062 7.5672 7.5672 8.0481 8.0481 8.7215 8.7215 8.9842 8.9842 9.1323 9.1323 9.4166 9.4166 9.9224 9.9224 10.3719 10.3719 11.0259 11.0259 11.9078 11.9078 12.3728 12.3728 12.8534 12.8534 12.9903 12.9903 13.1186 13.1186 k = 0.0974-0.1390-0.0000 ( 4825 PWs) bands (ev): -4.8240 -4.8240 -2.2079 -2.2079 -2.1562 -2.1562 -1.7902 -1.7902 -1.2345 -1.2345 -0.8222 -0.8222 0.5187 0.5187 1.3904 1.3904 1.9852 1.9852 2.1307 2.1307 3.5373 3.5373 3.8758 3.8758 4.1900 4.1900 4.5457 4.5457 4.6938 4.6938 4.8000 4.8000 5.0175 5.0175 6.3788 6.3788 6.7637 6.7637 7.3549 7.3549 7.6364 7.6364 8.0615 8.0615 8.6955 8.6955 9.0642 9.0642 9.1879 9.1879 9.4208 9.4208 9.9107 9.9107 10.3604 10.3604 11.0416 11.0416 11.9548 11.9548 12.3370 12.3370 12.9409 12.9409 13.0677 13.0677 13.1179 13.1179 k = 0.0866-0.1235-0.0000 ( 4823 PWs) bands (ev): -4.8463 -4.8463 -2.2188 -2.2188 -2.1676 -2.1676 -1.7344 -1.7344 -1.2217 -1.2217 -0.7640 -0.7640 0.5325 0.5325 1.3853 1.3853 2.0046 2.0046 2.1038 2.1038 3.4987 3.4987 3.8403 3.8403 4.1379 4.1379 4.4573 4.4573 4.6785 4.6785 4.7714 4.7714 5.0878 5.0878 6.2957 6.2957 6.6722 6.6722 7.3768 7.3768 7.7332 7.7332 8.0723 8.0723 8.6722 8.6722 9.1336 9.1336 9.2486 9.2486 9.4292 9.4292 9.9013 9.9013 10.3523 10.3523 11.0503 11.0503 11.9879 11.9879 12.3044 12.3044 12.9833 12.9833 13.0579 13.0579 13.2103 13.2103 k = 0.0757-0.1081-0.0000 ( 4821 PWs) bands (ev): -4.8660 -4.8660 -2.2287 -2.2287 -2.1792 -2.1792 -1.6785 -1.6785 -1.2132 -1.2132 -0.7086 -0.7086 0.5420 0.5420 1.3793 1.3793 2.0242 2.0242 2.0780 2.0780 3.4662 3.4662 3.8126 3.8126 4.0916 4.0916 4.3732 4.3732 4.5650 4.5650 4.8535 4.8535 5.1637 5.1637 6.2069 6.2069 6.5774 6.5774 7.3862 7.3862 7.8403 7.8403 8.0809 8.0809 8.6518 8.6518 9.1900 9.1900 9.3120 9.3120 9.4419 9.4419 9.8942 9.8942 10.3475 10.3475 11.0521 11.0521 11.9965 11.9965 12.2917 12.2917 12.9164 12.9164 13.1319 13.1319 13.2604 13.2604 k = 0.0649-0.0926-0.0000 ( 4823 PWs) bands (ev): -4.8831 -4.8831 -2.2375 -2.2375 -2.1901 -2.1901 -1.6238 -1.6238 -1.2093 -1.2093 -0.6569 -0.6569 0.5475 0.5475 1.3729 1.3729 2.0423 2.0423 2.0553 2.0553 3.4401 3.4401 3.7925 3.7925 4.0513 4.0513 4.2956 4.2956 4.4604 4.4604 4.9397 4.9397 5.2434 5.2434 6.1138 6.1138 6.4807 6.4807 7.3906 7.3906 7.9467 7.9467 8.0877 8.0877 8.6342 8.6342 9.2343 9.2343 9.3734 9.3734 9.4589 9.4589 9.8896 9.8896 10.3464 10.3464 11.0478 11.0478 11.9767 11.9767 12.3059 12.3059 12.8274 12.8274 13.2134 13.2134 13.2949 13.2949 k = 0.0541-0.0772-0.0000 ( 4835 PWs) bands (ev): -4.8976 -4.8976 -2.2451 -2.2451 -2.1999 -2.1999 -1.5714 -1.5714 -1.2102 -1.2102 -0.6101 -0.6101 0.5497 0.5497 1.3665 1.3665 2.0314 2.0314 2.0630 2.0630 3.4208 3.4208 3.7793 3.7793 4.0170 4.0170 4.2254 4.2254 4.3665 4.3665 5.0291 5.0291 5.3255 5.3255 6.0177 6.0177 6.3833 6.3833 7.3929 7.3929 8.0454 8.0454 8.0938 8.0938 8.6194 8.6194 9.2686 9.2686 9.4283 9.4283 9.4791 9.4791 9.8873 9.8873 10.3484 10.3484 11.0389 11.0389 11.9390 11.9390 12.3370 12.3370 12.7366 12.7366 13.2897 13.2897 13.3331 13.3331 k = 0.0433-0.0618-0.0000 ( 4831 PWs) bands (ev): -4.9095 -4.9095 -2.2514 -2.2514 -2.2081 -2.2081 -1.5225 -1.5225 -1.2156 -1.2156 -0.5694 -0.5694 0.5493 0.5493 1.3606 1.3606 2.0133 2.0133 2.0791 2.0791 3.4080 3.4080 3.7720 3.7720 3.9887 3.9887 4.1636 4.1636 4.2855 4.2855 5.1212 5.1212 5.4087 5.4087 5.9196 5.9196 6.2870 6.2870 7.3944 7.3944 8.0940 8.0940 8.1371 8.1371 8.6074 8.6074 9.2945 9.2945 9.4727 9.4727 9.5017 9.5017 9.8872 9.8872 10.3530 10.3530 11.0273 11.0273 11.8963 11.8963 12.3702 12.3702 12.6562 12.6562 13.3496 13.3496 13.3838 13.3838 k = 0.0325-0.0463-0.0000 ( 4833 PWs) bands (ev): -4.9188 -4.9188 -2.2564 -2.2564 -2.2147 -2.2147 -1.4785 -1.4785 -1.2250 -1.2250 -0.5361 -0.5361 0.5474 0.5474 1.3556 1.3556 1.9985 1.9985 2.0927 2.0927 3.4007 3.4007 3.7694 3.7694 3.9667 3.9667 4.1112 4.1112 4.2197 4.2197 5.2156 5.2156 5.4901 5.4901 5.8211 5.8211 6.1941 6.1941 7.3954 7.3954 8.0978 8.0978 8.2092 8.2092 8.5980 8.5980 9.3138 9.3138 9.5036 9.5036 9.5257 9.5257 9.8885 9.8885 10.3590 10.3590 11.0152 11.0152 11.8569 11.8569 12.3911 12.3911 12.5991 12.5991 13.3893 13.3893 13.4461 13.4461 k = 0.0216-0.0309-0.0000 ( 4833 PWs) bands (ev): -4.9254 -4.9254 -2.2600 -2.2600 -2.2195 -2.2195 -1.4416 -1.4416 -1.2368 -1.2368 -0.5112 -0.5112 0.5451 0.5451 1.3517 1.3517 1.9877 1.9877 2.1031 2.1031 3.3975 3.3975 3.7697 3.7697 3.9515 3.9515 4.0697 4.0697 4.1712 4.1712 5.3117 5.3117 5.5630 5.5630 5.7255 5.7255 6.1092 6.1092 7.3961 7.3961 8.0997 8.0997 8.2638 8.2638 8.5913 8.5913 9.3273 9.3273 9.5225 9.5225 9.5472 9.5472 9.8906 9.8906 10.3649 10.3649 11.0046 11.0046 11.8258 11.8258 12.3901 12.3901 12.5747 12.5747 13.4185 13.4185 13.5033 13.5033 k = 0.0108-0.0154-0.0000 ( 4837 PWs) bands (ev): -4.9294 -4.9294 -2.2622 -2.2622 -2.2224 -2.2224 -1.4154 -1.4154 -1.2477 -1.2477 -0.4958 -0.4958 0.5433 0.5433 1.3493 1.3493 1.9811 1.9811 2.1095 2.1095 3.3966 3.3966 3.7710 3.7710 3.9434 3.9434 4.0417 4.0417 4.1417 4.1417 5.4088 5.4088 5.5854 5.5854 5.6657 5.6657 6.0425 6.0425 7.3965 7.3965 8.1007 8.1007 8.2978 8.2978 8.5872 8.5872 9.3354 9.3354 9.5331 9.5331 9.5611 9.5611 9.8924 9.8924 10.3692 10.3692 10.9975 10.9975 11.8059 11.8059 12.3775 12.3775 12.5723 12.5723 13.4373 13.4373 13.5460 13.5460 k = 0.0000 0.0000 0.0000 ( 4837 PWs) bands (ev): -4.9307 -4.9307 -2.2629 -2.2629 -2.2233 -2.2233 -1.4056 -1.4056 -1.2524 -1.2524 -0.4906 -0.4906 0.5426 0.5426 1.3485 1.3485 1.9789 1.9789 2.1116 2.1116 3.3966 3.3966 3.7716 3.7716 3.9411 3.9411 4.0316 4.0316 4.1319 4.1319 5.5017 5.5017 5.5087 5.5087 5.6746 5.6746 6.0149 6.0149 7.3966 7.3966 8.1011 8.1011 8.3093 8.3093 8.5858 8.5858 9.3382 9.3382 9.5366 9.5366 9.5658 9.5658 9.8931 9.8931 10.3708 10.3708 10.9949 10.9949 11.7991 11.7991 12.3712 12.3712 12.5738 12.5738 13.4438 13.4438 13.5627 13.5627 k = 0.0000 0.0000 0.0000 ( 4837 PWs) bands (ev): -4.9307 -4.9307 -2.2629 -2.2629 -2.2233 -2.2233 -1.4056 -1.4056 -1.2524 -1.2524 -0.4906 -0.4906 0.5426 0.5426 1.3485 1.3485 1.9789 1.9789 2.1116 2.1116 3.3966 3.3966 3.7716 3.7716 3.9411 3.9411 4.0316 4.0316 4.1319 4.1319 5.5017 5.5017 5.5087 5.5087 5.6746 5.6746 6.0149 6.0149 7.3966 7.3966 8.1011 8.1011 8.3093 8.3093 8.5858 8.5858 9.3382 9.3382 9.5366 9.5366 9.5658 9.5658 9.8931 9.8931 10.3708 10.3708 10.9949 10.9949 11.7991 11.7991 12.3712 12.3712 12.5738 12.5738 13.4438 13.4438 13.5627 13.5627 k = 0.0172-0.0063-0.0039 ( 4833 PWs) bands (ev): -4.9294 -4.9294 -2.2696 -2.2696 -2.2151 -2.2151 -1.4124 -1.4124 -1.2501 -1.2501 -0.4940 -0.4940 0.5433 0.5433 1.3465 1.3465 1.9608 1.9608 2.1272 2.1272 3.3988 3.3988 3.7716 3.7716 3.9431 3.9431 4.0406 4.0406 4.1413 4.1413 5.4144 5.4144 5.5668 5.5668 5.6804 5.6804 6.0447 6.0447 7.3946 7.3946 8.0999 8.0999 8.3040 8.3040 8.5865 8.5865 9.3373 9.3373 9.5237 9.5237 9.5644 9.5644 9.8820 9.8820 10.3910 10.3910 10.9964 10.9964 11.8034 11.8034 12.3748 12.3748 12.5722 12.5722 13.4387 13.4387 13.5191 13.5191 k = 0.0345-0.0125-0.0078 ( 4834 PWs) bands (ev): -4.9254 -4.9254 -2.2822 -2.2822 -2.1979 -2.1979 -1.4317 -1.4317 -1.2444 -1.2444 -0.5038 -0.5038 0.5452 0.5452 1.3404 1.3404 1.9196 1.9196 2.1610 2.1610 3.4052 3.4052 3.7731 3.7731 3.9504 3.9504 4.0642 4.0642 4.1697 4.1697 5.3073 5.3073 5.5969 5.5969 5.6961 5.6961 6.1251 6.1251 7.3888 7.3888 8.0957 8.0957 8.2888 8.2888 8.5883 8.5883 9.3334 9.3334 9.4896 9.4896 9.5589 9.5589 9.8537 9.8537 10.4449 10.4449 11.0008 11.0008 11.8161 11.8161 12.3822 12.3822 12.5703 12.5703 13.4190 13.4190 13.4360 13.4360 k = 0.0517-0.0188-0.0117 ( 4836 PWs) bands (ev): -4.9187 -4.9187 -2.2952 -2.2952 -2.1776 -2.1776 -1.4612 -1.4612 -1.2375 -1.2375 -0.5190 -0.5190 0.5476 0.5476 1.3303 1.3303 1.8683 1.8683 2.2005 2.2005 3.4147 3.4147 3.7795 3.7795 3.9651 3.9651 4.0961 4.0961 4.2172 4.2172 5.1953 5.1953 5.6087 5.6087 5.7163 5.7163 6.2374 6.2374 7.3796 7.3796 8.0870 8.0870 8.2657 8.2657 8.5914 8.5914 9.3201 9.3201 9.4446 9.4446 9.5501 9.5501 9.8166 9.8166 10.5197 10.5197 11.0077 11.0077 11.8364 11.8364 12.3834 12.3834 12.5768 12.5768 13.3278 13.3278 13.4034 13.4034 k = 0.0690-0.0250-0.0155 ( 4833 PWs) bands (ev): -4.9094 -4.9094 -2.3071 -2.3071 -2.1557 -2.1557 -1.4988 -1.4988 -1.2311 -1.2311 -0.5384 -0.5384 0.5497 0.5497 1.3163 1.3163 1.8114 1.8114 2.2416 2.2416 3.4260 3.4260 3.7943 3.7943 3.9880 3.9880 4.1322 4.1322 4.2820 4.2820 5.0860 5.0860 5.6138 5.6138 5.7379 5.7379 6.3666 6.3666 7.3674 7.3674 8.0705 8.0705 8.2387 8.2387 8.5957 8.5957 9.2833 9.2833 9.4058 9.4058 9.5412 9.5412 9.7753 9.7753 10.6043 10.6043 11.0169 11.0169 11.8629 11.8629 12.3676 12.3676 12.5999 12.5999 13.2261 13.2261 13.3731 13.3731 k = 0.0862-0.0313-0.0194 ( 4835 PWs) bands (ev): -4.8974 -4.8974 -2.3174 -2.3174 -2.1333 -2.1333 -1.5430 -1.5430 -1.2262 -1.2262 -0.5606 -0.5606 0.5506 0.5506 1.2986 1.2986 1.7505 1.7505 2.2831 2.2831 3.4380 3.4380 3.8198 3.8198 4.0192 4.0192 4.1700 4.1700 4.3607 4.3607 4.9855 4.9855 5.6170 5.6170 5.7609 5.7609 6.5035 6.5035 7.3530 7.3530 8.0420 8.0420 8.2128 8.2128 8.6014 8.6014 9.2173 9.2173 9.3807 9.3807 9.5364 9.5364 9.7319 9.7319 10.6901 10.6901 11.0289 11.0289 11.8933 11.8933 12.3338 12.3338 12.6343 12.6343 13.1338 13.1338 13.3378 13.3378 k = 0.1034-0.0376-0.0233 ( 4834 PWs) bands (ev): -4.8829 -4.8829 -2.3259 -2.3259 -2.1114 -2.1114 -1.5923 -1.5923 -1.2232 -1.2232 -0.5841 -0.5841 0.5499 0.5499 1.2774 1.2774 1.6869 1.6869 2.3240 2.3240 3.4500 3.4500 3.8569 3.8569 4.0578 4.0578 4.2077 4.2077 4.4495 4.4495 4.9001 4.9001 5.6203 5.6203 5.7855 5.7855 6.6425 6.6425 7.3375 7.3375 7.9987 7.9987 8.1922 8.1922 8.6087 8.6087 9.1343 9.1343 9.3577 9.3577 9.5384 9.5384 9.6880 9.6880 10.7680 10.7680 11.0453 11.0453 11.9246 11.9246 12.2890 12.2890 12.6610 12.6610 13.0681 13.0681 13.2995 13.2995 k = 0.1207-0.0438-0.0272 ( 4836 PWs) bands (ev): -4.8657 -4.8657 -2.3327 -2.3327 -2.0913 -2.0913 -1.6448 -1.6448 -1.2224 -1.2224 -0.6076 -0.6076 0.5471 0.5471 1.2530 1.2530 1.6212 1.6212 2.3630 2.3630 3.4620 3.4620 3.9053 3.9053 4.1021 4.1021 4.2425 4.2425 4.5434 4.5434 4.8393 4.8393 5.6245 5.6245 5.8121 5.8121 6.7791 6.7791 7.3222 7.3222 7.9418 7.9418 8.1772 8.1772 8.6173 8.6173 9.0440 9.0440 9.3299 9.3299 9.5436 9.5436 9.6491 9.6491 10.8269 10.8269 11.0705 11.0705 11.9520 11.9520 12.2419 12.2419 12.6550 12.6550 13.0505 13.0505 13.2599 13.2599 k = 0.1379-0.0501-0.0311 ( 4837 PWs) bands (ev): -4.8459 -4.8459 -2.3376 -2.3376 -2.0755 -2.0755 -1.6977 -1.6977 -1.2239 -1.2239 -0.6303 -0.6303 0.5422 0.5422 1.2255 1.2255 1.5543 1.5543 2.3985 2.3985 3.4744 3.4744 3.9634 3.9634 4.1487 4.1487 4.2730 4.2730 4.6306 4.6306 4.8199 4.8199 5.6300 5.6300 5.8408 5.8408 6.9086 6.9086 7.3100 7.3100 7.8748 7.8748 8.1663 8.1663 8.6268 8.6268 8.9511 8.9511 9.2973 9.2973 9.5342 9.5342 9.6325 9.6325 10.8565 10.8565 11.1066 11.1066 11.9689 11.9689 12.2026 12.2026 12.6118 12.6118 13.0797 13.0797 13.2194 13.2194 k = 0.1552-0.0564-0.0350 ( 4833 PWs) bands (ev): -4.8236 -4.8236 -2.3408 -2.3408 -2.0684 -2.0684 -1.7459 -1.7459 -1.2276 -1.2276 -0.6515 -0.6515 0.5356 0.5356 1.1954 1.1954 1.4869 1.4869 2.4284 2.4284 3.4880 3.4880 4.0288 4.0288 4.1901 4.1901 4.3039 4.3039 4.6904 4.6904 4.8661 4.8661 5.6368 5.6368 5.8716 5.8716 7.0227 7.0227 7.3064 7.3064 7.8014 7.8014 8.1580 8.1580 8.6355 8.6355 8.8585 8.8585 9.2625 9.2625 9.4982 9.4982 9.6489 9.6489 10.8553 10.8553 11.1458 11.1458 11.9715 11.9715 12.1784 12.1784 12.5515 12.5515 13.0899 13.0899 13.1734 13.1734 k = 0.1724-0.0626-0.0389 ( 4836 PWs) bands (ev): -4.7988 -4.7988 -2.3424 -2.3424 -2.0765 -2.0765 -1.7824 -1.7824 -1.2335 -1.2335 -0.6707 -0.6707 0.5275 0.5275 1.1630 1.1630 1.4196 1.4196 2.4502 2.4502 3.5031 3.5031 4.0961 4.0961 4.2198 4.2198 4.3475 4.3475 4.7332 4.7332 4.9654 4.9654 5.6450 5.6450 5.9045 5.9045 7.1058 7.1058 7.3247 7.3247 7.7250 7.7250 8.1515 8.1515 8.6387 8.6387 8.7709 8.7709 9.2295 9.2295 9.4508 9.4508 9.6823 9.6823 10.8277 10.8277 11.1740 11.1740 11.9664 11.9664 12.1656 12.1656 12.4907 12.4907 12.9733 12.9733 13.1514 13.1514 k = 0.1897-0.0689-0.0428 ( 4830 PWs) bands (ev): -4.7715 -4.7715 -2.3430 -2.3430 -2.1051 -2.1051 -1.8009 -1.8009 -1.2414 -1.2414 -0.6877 -0.6877 0.5185 0.5185 1.1287 1.1287 1.3532 1.3532 2.4618 2.4618 3.5201 3.5201 4.1517 4.1517 4.2532 4.2532 4.4070 4.4070 4.7836 4.7836 5.0864 5.0864 5.6548 5.6548 5.9395 5.9395 7.1438 7.1438 7.3765 7.3765 7.6482 7.6482 8.1464 8.1464 8.6186 8.6186 8.7046 8.7046 9.2034 9.2034 9.4007 9.4007 9.7231 9.7231 10.7770 10.7770 11.1818 11.1818 11.9615 11.9615 12.1560 12.1560 12.4340 12.4340 12.8311 12.8311 13.1271 13.1271 k = 0.2069-0.0751-0.0466 ( 4829 PWs) bands (ev): -4.7418 -4.7418 -2.3438 -2.3438 -2.1523 -2.1523 -1.8018 -1.8018 -1.2510 -1.2510 -0.7022 -0.7022 0.5091 0.5091 1.0926 1.0926 1.2884 1.2884 2.4613 2.4613 3.5394 3.5394 4.1826 4.1826 4.3140 4.3140 4.4767 4.4767 4.8460 4.8460 5.2165 5.2165 5.6663 5.6663 5.9766 5.9766 7.1503 7.1503 7.4442 7.4442 7.5751 7.5751 8.1418 8.1418 8.5534 8.5534 8.6784 8.6784 9.1901 9.1901 9.3509 9.3509 9.7673 9.7673 10.7056 10.7056 11.1681 11.1681 11.9456 11.9456 12.1583 12.1583 12.3715 12.3715 12.6939 12.6939 13.1110 13.1110 k = 0.2241-0.0814-0.0505 ( 4828 PWs) bands (ev): -4.7098 -4.7098 -2.3485 -2.3485 -2.2081 -2.2081 -1.7914 -1.7914 -1.2618 -1.2618 -0.7143 -0.7143 0.4998 0.4998 1.0549 1.0549 1.2260 1.2260 2.4480 2.4480 3.5612 3.5612 4.2055 4.2055 4.3916 4.3916 4.5527 4.5527 4.9189 4.9189 5.3505 5.3505 5.6802 5.6802 6.0159 6.0159 7.1453 7.1453 7.4805 7.4805 7.5338 7.5338 8.1366 8.1366 8.4722 8.4722 8.6605 8.6605 9.1951 9.1951 9.3036 9.3036 9.8115 9.8115 10.6177 10.6177 11.1380 11.1380 11.8964 11.8964 12.1889 12.1889 12.2850 12.2850 12.5776 12.5776 13.1070 13.1070 k = 0.2414-0.0877-0.0544 ( 4828 PWs) bands (ev): -4.6755 -4.6755 -2.3692 -2.3692 -2.2545 -2.2545 -1.7755 -1.7755 -1.2733 -1.2733 -0.7241 -0.7241 0.4910 0.4910 1.0157 1.0157 1.1670 1.1670 2.4219 2.4219 3.5858 3.5858 4.2350 4.2350 4.4720 4.4720 4.6332 4.6332 5.0007 5.0007 5.4832 5.4832 5.6990 5.6990 6.0577 6.0577 7.1376 7.1376 7.4281 7.4281 7.5748 7.5748 8.1287 8.1287 8.3909 8.3909 8.6346 8.6346 9.2138 9.2138 9.2672 9.2672 9.8501 9.8501 10.5214 10.5214 11.0974 11.0974 11.8115 11.8115 12.1500 12.1500 12.2632 12.2632 12.4838 12.4838 13.1151 13.1151 k = 0.2586-0.0939-0.0583 ( 4823 PWs) bands (ev): -4.6390 -4.6390 -2.4207 -2.4207 -2.2730 -2.2730 -1.7581 -1.7581 -1.2845 -1.2845 -0.7317 -0.7317 0.4830 0.4830 0.9748 0.9748 1.1122 1.1122 2.3843 2.3843 3.6134 3.6134 4.2751 4.2751 4.5485 4.5485 4.7169 4.7169 5.0908 5.0908 5.6000 5.6000 5.7341 5.7341 6.1027 6.1027 7.1309 7.1309 7.3726 7.3726 7.6119 7.6119 8.1151 8.1151 8.3132 8.3132 8.6007 8.6007 9.1971 9.1971 9.2897 9.2897 9.8731 9.8731 10.4307 10.4307 11.0505 11.0505 11.6966 11.6966 12.0146 12.0146 12.3334 12.3334 12.4022 12.4022 13.1186 13.1186 k = 0.2759-0.1002-0.0622 ( 4823 PWs) bands (ev): -4.6006 -4.6006 -2.4924 -2.4924 -2.2718 -2.2718 -1.7421 -1.7421 -1.2945 -1.2945 -0.7373 -0.7373 0.4761 0.4761 0.9322 0.9322 1.0625 1.0625 2.3370 2.3370 3.6444 3.6444 4.3254 4.3254 4.6173 4.6173 4.8021 4.8021 5.1891 5.1891 5.6667 5.6667 5.8161 5.8161 6.1530 6.1530 7.1270 7.1270 7.3269 7.3269 7.6355 7.6355 8.0919 8.0919 8.2416 8.2416 8.5626 8.5626 9.1579 9.1579 9.3528 9.3528 9.8630 9.8630 10.3670 10.3670 10.9996 10.9996 11.5541 11.5541 11.8811 11.8811 12.2922 12.2922 12.4379 12.4379 13.0634 13.0634 k = 0.2931-0.1064-0.0661 ( 4823 PWs) bands (ev): -4.5603 -4.5603 -2.5716 -2.5716 -2.2624 -2.2624 -1.7297 -1.7297 -1.3021 -1.3021 -0.7411 -0.7411 0.4704 0.4704 0.8879 0.8879 1.0186 1.0186 2.2824 2.2824 3.6789 3.6789 4.3846 4.3846 4.6762 4.6762 4.8864 4.8864 5.2957 5.2957 5.6941 5.6941 5.9272 5.9272 6.2132 6.2132 7.1264 7.1264 7.2947 7.2947 7.6464 7.6464 8.0560 8.0560 8.1780 8.1780 8.5253 8.5253 9.1179 9.1179 9.4258 9.4258 9.8060 9.8060 10.3491 10.3491 10.9469 10.9469 11.3884 11.3884 11.7612 11.7612 12.1919 12.1919 12.5290 12.5290 12.9659 12.9659 k = 0.3103-0.1127-0.0700 ( 4821 PWs) bands (ev): -4.5183 -4.5183 -2.6530 -2.6530 -2.2487 -2.2487 -1.7225 -1.7225 -1.3061 -1.3061 -0.7433 -0.7433 0.4660 0.4660 0.8428 0.8428 0.9804 0.9804 2.2228 2.2228 3.7167 3.7167 4.4502 4.4502 4.7239 4.7239 4.9677 4.9677 5.4099 5.4099 5.7109 5.7109 6.0289 6.0289 6.2915 6.2915 7.1286 7.1286 7.2790 7.2790 7.6468 7.6468 8.0071 8.0071 8.1226 8.1226 8.4923 8.4923 9.0792 9.0792 9.4909 9.4909 9.7157 9.7157 10.3733 10.3733 10.8937 10.8937 11.2086 11.2086 11.6563 11.6563 12.0851 12.0851 12.6203 12.6203 12.8586 12.8586 k = 0.3276-0.1190-0.0739 ( 4825 PWs) bands (ev): -4.4749 -4.4749 -2.7346 -2.7346 -2.2321 -2.2321 -1.7216 -1.7216 -1.3058 -1.3058 -0.7443 -0.7443 0.4628 0.4628 0.7978 0.7978 0.9476 0.9476 2.1605 2.1605 3.7576 3.7576 4.5200 4.5200 4.7597 4.7597 5.0444 5.0444 5.5296 5.5296 5.7255 5.7255 6.1062 6.1062 6.3931 6.3931 7.1328 7.1328 7.2827 7.2827 7.6393 7.6393 7.9488 7.9488 8.0732 8.0732 8.4656 8.4656 9.0416 9.0416 9.4936 9.4936 9.6555 9.6555 10.4226 10.4226 10.8374 10.8374 11.0303 11.0303 11.5652 11.5652 11.9774 11.9774 12.6781 12.6781 12.7785 12.7785 k = 0.3448-0.1252-0.0777 ( 4825 PWs) bands (ev): -4.4305 -4.4305 -2.8150 -2.8150 -2.2130 -2.2130 -1.7276 -1.7276 -1.3010 -1.3010 -0.7441 -0.7441 0.4609 0.4609 0.7540 0.7540 0.9197 0.9197 2.0973 2.0973 3.8015 3.8015 4.5912 4.5912 4.7838 4.7838 5.1159 5.1159 5.6442 5.6442 5.7482 5.7482 6.1611 6.1611 6.5123 6.5123 7.1386 7.1386 7.3050 7.3050 7.6278 7.6278 7.8857 7.8857 8.0276 8.0276 8.4454 8.4454 9.0046 9.0046 9.3890 9.3890 9.6744 9.6744 10.4822 10.4822 10.7467 10.7467 10.8993 10.8993 11.4876 11.4876 11.8738 11.8738 12.5951 12.5951 12.8327 12.8327 k = 0.3621-0.1315-0.0816 ( 4824 PWs) bands (ev): -4.3855 -4.3855 -2.8932 -2.8932 -2.1919 -2.1919 -1.7401 -1.7401 -1.2923 -1.2923 -0.7432 -0.7432 0.4600 0.4600 0.7122 0.7122 0.8963 0.8963 2.0353 2.0353 3.8478 3.8478 4.6596 4.6596 4.7986 4.7986 5.1822 5.1822 5.7045 5.7045 5.8257 5.8257 6.2017 6.2017 6.6386 6.6386 7.1469 7.1469 7.3404 7.3404 7.6185 7.6185 7.8212 7.8212 7.9855 7.9855 8.4317 8.4317 8.9669 8.9669 9.2544 9.2544 9.6955 9.6955 10.5004 10.5004 10.6362 10.6362 10.8549 10.8549 11.4243 11.4243 11.7794 11.7794 12.4755 12.4755 12.9146 12.9146 k = 0.3793-0.1378-0.0855 ( 4826 PWs) bands (ev): -4.3405 -4.3405 -2.9681 -2.9681 -2.1689 -2.1689 -1.7581 -1.7581 -1.2808 -1.2808 -0.7417 -0.7417 0.4601 0.4601 0.6731 0.6731 0.8772 0.8772 1.9759 1.9759 3.8958 3.8958 4.7146 4.7146 4.8135 4.8135 5.2435 5.2435 5.7156 5.7156 5.9495 5.9495 6.2344 6.2344 6.7649 6.7649 7.1574 7.1574 7.3760 7.3760 7.6224 7.6224 7.7590 7.7590 7.9468 7.9468 8.4240 8.4240 8.9258 8.9258 9.1198 9.1198 9.6923 9.6923 10.3523 10.3523 10.6792 10.6792 10.8483 10.8483 11.3766 11.3766 11.7001 11.7001 12.3514 12.3514 12.9808 12.9808 k = 0.3966-0.1440-0.0894 ( 4836 PWs) bands (ev): -4.2963 -4.2963 -3.0387 -3.0387 -2.1443 -2.1443 -1.7806 -1.7806 -1.2677 -1.2677 -0.7399 -0.7399 0.4612 0.4612 0.6373 0.6373 0.8621 0.8621 1.9207 1.9207 3.9449 3.9449 4.7351 4.7351 4.8493 4.8493 5.3004 5.3004 5.7142 5.7142 6.0761 6.0761 6.2663 6.2663 6.8863 6.8863 7.1685 7.1685 7.3956 7.3956 7.6461 7.6461 7.7088 7.7088 7.9121 7.9121 8.4225 8.4225 8.8743 8.8743 9.0003 9.0003 9.6618 9.6618 10.1689 10.1689 10.7641 10.7641 10.8551 10.8551 11.3457 11.3457 11.6431 11.6431 12.2261 12.2261 12.9698 12.9698 k = 0.4138-0.1503-0.0933 ( 4831 PWs) bands (ev): -4.2541 -4.2541 -3.1037 -3.1037 -2.1182 -2.1182 -1.8065 -1.8065 -1.2543 -1.2543 -0.7380 -0.7380 0.4632 0.4632 0.6050 0.6050 0.8506 0.8506 1.8711 1.8711 3.9937 3.9937 4.7249 4.7249 4.9024 4.9024 5.3534 5.3534 5.7059 5.7059 6.1803 6.1803 6.3159 6.3159 6.9973 6.9973 7.1783 7.1783 7.3970 7.3970 7.6326 7.6326 7.7261 7.7261 7.8842 7.8842 8.4276 8.4276 8.8013 8.8013 8.9142 8.9142 9.6054 9.6054 9.9939 9.9939 10.8284 10.8284 10.8898 10.8898 11.3282 11.3282 11.6179 11.6179 12.1013 12.1013 12.8691 12.8691 k = 0.4310-0.1565-0.0972 ( 4831 PWs) bands (ev): -4.2151 -4.2151 -3.1614 -3.1614 -2.0909 -2.0909 -1.8346 -1.8346 -1.2419 -1.2419 -0.7361 -0.7361 0.4663 0.4663 0.5766 0.5766 0.8422 0.8422 1.8284 1.8284 4.0409 4.0409 4.7019 4.7019 4.9555 4.9555 5.4031 5.4031 5.6913 5.6913 6.2325 6.2325 6.4106 6.4106 7.0771 7.0771 7.1964 7.1964 7.3942 7.3942 7.5962 7.5962 7.7671 7.7671 7.8747 7.8747 8.4421 8.4421 8.7209 8.7209 8.8570 8.8570 9.5202 9.5202 9.8456 9.8456 10.8292 10.8292 10.9841 10.9841 11.3158 11.3158 11.6323 11.6323 11.9782 11.9782 12.7460 12.7460 k = 0.4483-0.1628-0.1011 ( 4832 PWs) bands (ev): -4.1812 -4.1812 -3.2100 -3.2100 -2.0629 -2.0629 -1.8639 -1.8639 -1.2312 -1.2312 -0.7345 -0.7345 0.4706 0.4706 0.5522 0.5522 0.8366 0.8366 1.7937 1.7937 4.0839 4.0839 4.6747 4.6747 5.0014 5.0014 5.4499 5.4499 5.6707 5.6707 6.2529 6.2529 6.5284 6.5284 7.0842 7.0842 7.2511 7.2511 7.4007 7.4007 7.5729 7.5729 7.7702 7.7702 7.8875 7.8875 8.4725 8.4725 8.6630 8.6630 8.8107 8.8107 9.4020 9.4020 9.7401 9.7401 10.8141 10.8141 11.0897 11.0897 11.3031 11.3031 11.6812 11.6812 11.8597 11.8597 12.6205 12.6205 k = 0.4655-0.1691-0.1050 ( 4836 PWs) bands (ev): -4.1546 -4.1546 -3.2472 -3.2472 -2.0348 -2.0348 -1.8932 -1.8932 -1.2230 -1.2230 -0.7333 -0.7333 0.4763 0.4763 0.5319 0.5319 0.8331 0.8331 1.7681 1.7681 4.1197 4.1197 4.6490 4.6490 5.0364 5.0364 5.4941 5.4941 5.6446 5.6446 6.2625 6.2625 6.6458 6.6458 7.0411 7.0411 7.3042 7.3042 7.4233 7.4233 7.5717 7.5717 7.7575 7.7575 7.8808 7.8808 8.5234 8.5234 8.6415 8.6415 8.7714 8.7714 9.2642 9.2642 9.6766 9.6766 10.7969 10.7969 11.1938 11.1938 11.2929 11.2929 11.7151 11.7151 11.7818 11.7818 12.5037 12.5037 k = 0.4828-0.1753-0.1088 ( 4838 PWs) bands (ev): -4.1375 -4.1375 -3.2707 -3.2707 -2.0091 -2.0091 -1.9197 -1.9197 -1.2179 -1.2179 -0.7325 -0.7325 0.4829 0.4829 0.5163 0.5163 0.8312 0.8312 1.7523 1.7523 4.1440 4.1440 4.6303 4.6303 5.0584 5.0584 5.5354 5.5354 5.6138 5.6138 6.2672 6.2672 6.7515 6.7515 6.9771 6.9771 7.3281 7.3281 7.4490 7.4490 7.5929 7.5929 7.7554 7.7554 7.8409 7.8409 8.5727 8.5727 8.6556 8.6556 8.7474 8.7474 9.1381 9.1381 9.6432 9.6432 10.7842 10.7842 11.2655 11.2655 11.3094 11.3094 11.6301 11.6301 11.8324 11.8324 12.4121 12.4121 k = 0.5000-0.1816-0.1127 ( 4836 PWs) bands (ev): -4.1316 -4.1316 -3.2787 -3.2787 -1.9958 -1.9958 -1.9332 -1.9332 -1.2162 -1.2162 -0.7323 -0.7323 0.4872 0.4872 0.5091 0.5091 0.8307 0.8307 1.7470 1.7470 4.1527 4.1527 4.6234 4.6234 5.0658 5.0658 5.5652 5.5652 5.5875 5.5875 6.2686 6.2686 6.8120 6.8120 6.9303 6.9303 7.3338 7.3338 7.4584 7.4584 7.6083 7.6083 7.7724 7.7724 7.8015 7.8015 8.5895 8.5895 8.6693 8.6693 8.7481 8.7481 9.0792 9.0792 9.6328 9.6328 10.7795 10.7795 11.2707 11.2707 11.3511 11.3511 11.5797 11.5797 11.8610 11.8610 12.3748 12.3748 k = 0.5000-0.1816 0.3041 ( 4830 PWs) bands (ev): -3.6680 -3.6680 -3.4920 -3.4920 -2.6884 -2.6884 -2.2746 -2.2746 -1.0851 -1.0851 -0.7415 -0.7415 0.8575 0.8575 1.1607 1.1607 1.5338 1.5338 2.2530 2.2530 4.0157 4.0157 4.0531 4.0531 4.3955 4.3955 4.6835 4.6835 5.1623 5.1623 5.6599 5.6599 6.2052 6.2052 6.5432 6.5432 6.9602 6.9602 7.4817 7.4817 7.9720 7.9720 8.2011 8.2011 8.7426 8.7426 8.7959 8.7959 9.1083 9.1083 9.6612 9.6612 9.9450 9.9450 10.0085 10.0085 10.6143 10.6143 10.8484 10.8484 11.6643 11.6643 11.8266 11.8266 12.0436 12.0436 12.1027 12.1027 k = 0.4848-0.1761 0.2949 ( 4832 PWs) bands (ev): -3.6909 -3.6909 -3.4705 -3.4705 -2.6851 -2.6851 -2.2725 -2.2725 -1.0859 -1.0859 -0.7409 -0.7409 0.8537 0.8537 1.1616 1.1616 1.5288 1.5288 2.2584 2.2584 3.9900 3.9900 4.0866 4.0866 4.3870 4.3870 4.6918 4.6918 5.1603 5.1603 5.6587 5.6587 6.1990 6.1990 6.5401 6.5401 6.9213 6.9213 7.5216 7.5216 7.9548 7.9548 8.2288 8.2288 8.7429 8.7429 8.7900 8.7900 9.0863 9.0863 9.6562 9.6562 9.9118 9.9118 10.0558 10.0558 10.5610 10.5610 10.9198 10.9198 11.6484 11.6484 11.8456 11.8456 12.0410 12.0410 12.1125 12.1125 k = 0.4697-0.1706 0.2857 ( 4840 PWs) bands (ev): -3.7413 -3.7413 -3.4243 -3.4243 -2.6752 -2.6752 -2.2661 -2.2661 -1.0883 -1.0883 -0.7390 -0.7390 0.8428 0.8428 1.1640 1.1640 1.5145 1.5145 2.2741 2.2741 3.9592 3.9592 4.1400 4.1400 4.3651 4.3651 4.7135 4.7135 5.1544 5.1544 5.6552 5.6552 6.1799 6.1799 6.5282 6.5282 6.8333 6.8333 7.6124 7.6124 7.9275 7.9275 8.2857 8.2857 8.7264 8.7264 8.7892 8.7892 9.0353 9.0353 9.6384 9.6384 9.8516 9.8516 10.1460 10.1460 10.4873 10.4873 11.0505 11.0505 11.6174 11.6174 11.8859 11.8859 12.0401 12.0401 12.1373 12.1373 k = 0.4545-0.1651 0.2765 ( 4832 PWs) bands (ev): -3.8013 -3.8013 -3.3717 -3.3717 -2.6583 -2.6583 -2.2555 -2.2555 -1.0921 -1.0921 -0.7362 -0.7362 0.8259 0.8259 1.1664 1.1664 1.4931 1.4931 2.2983 2.2983 3.9351 3.9351 4.1981 4.1981 4.3385 4.3385 4.7415 4.7415 5.1456 5.1456 5.6498 5.6498 6.1468 6.1468 6.4989 6.4989 6.7406 6.7406 7.7066 7.7066 7.9267 7.9267 8.3355 8.3355 8.6675 8.6675 8.8217 8.8217 8.9823 8.9823 9.6067 9.6067 9.7709 9.7709 10.2396 10.2396 10.4625 10.4625 11.1802 11.1802 11.5946 11.5946 11.9251 11.9251 12.0533 12.0533 12.1719 12.1719 k = 0.4394-0.1596 0.2672 ( 4824 PWs) bands (ev): -3.8644 -3.8644 -3.3194 -3.3194 -2.6343 -2.6343 -2.2408 -2.2408 -1.0971 -1.0971 -0.7329 -0.7329 0.8048 0.8048 1.1669 1.1669 1.4679 1.4679 2.3287 2.3287 3.9183 3.9183 4.2408 4.2408 4.3308 4.3308 4.7692 4.7692 5.1355 5.1355 5.6428 5.6428 6.0975 6.0975 6.4393 6.4393 6.6758 6.6758 7.7615 7.7615 7.9855 7.9855 8.3532 8.3532 8.5832 8.5832 8.8759 8.8759 8.9457 8.9457 9.5651 9.5651 9.6792 9.6792 10.2852 10.2852 10.5295 10.5295 11.2748 11.2748 11.6055 11.6055 11.9499 11.9499 12.0908 12.0908 12.2143 12.2143 k = 0.4242-0.1541 0.2580 ( 4825 PWs) bands (ev): -3.9285 -3.9285 -3.2700 -3.2700 -2.6029 -2.6029 -2.2218 -2.2218 -1.1033 -1.1033 -0.7297 -0.7297 0.7813 0.7813 1.1629 1.1629 1.4427 1.4427 2.3630 2.3630 3.9088 3.9088 4.2302 4.2302 4.3818 4.3818 4.7903 4.7903 5.1272 5.1272 5.6337 5.6337 6.0295 6.0295 6.3551 6.3551 6.6457 6.6457 7.7823 7.7823 8.0861 8.0861 8.3251 8.3251 8.5039 8.5039 8.8734 8.8734 8.9821 8.9821 9.5192 9.5192 9.6019 9.6019 10.2928 10.2928 10.6594 10.6594 11.3114 11.3114 11.6658 11.6658 11.9675 11.9675 12.1474 12.1474 12.2635 12.2635 k = 0.4091-0.1486 0.2488 ( 4824 PWs) bands (ev): -3.9923 -3.9923 -3.2246 -3.2246 -2.5642 -2.5642 -2.1988 -2.1988 -1.1104 -1.1104 -0.7271 -0.7271 0.7571 0.7571 1.1515 1.1515 1.4215 1.4215 2.3990 2.3990 3.9063 3.9063 4.1981 4.1981 4.4609 4.4609 4.7990 4.7990 5.1246 5.1246 5.6201 5.6201 5.9443 5.9443 6.2671 6.2671 6.6372 6.6372 7.7948 7.7948 8.1519 8.1519 8.2889 8.2889 8.4503 8.4503 8.8208 8.8208 9.0480 9.0480 9.4653 9.4653 9.5831 9.5831 10.2940 10.2940 10.8004 10.8004 11.3139 11.3139 11.7407 11.7407 11.9977 11.9977 12.2120 12.2120 12.3184 12.3184 k = 0.3939-0.1431 0.2396 ( 4829 PWs) bands (ev): -4.0554 -4.0554 -3.1837 -3.1837 -2.5187 -2.5187 -2.1716 -2.1716 -1.1185 -1.1185 -0.7258 -0.7258 0.7338 0.7338 1.1307 1.1307 1.4078 1.4078 2.4347 2.4347 3.9103 3.9103 4.1634 4.1634 4.5492 4.5492 4.7917 4.7917 5.1300 5.1300 5.5943 5.5943 5.8531 5.8531 6.1859 6.1859 6.6413 6.6413 7.8015 7.8015 8.0824 8.0824 8.3402 8.3402 8.4224 8.4224 8.7540 8.7540 9.0882 9.0882 9.4084 9.4084 9.6463 9.6463 10.2956 10.2956 10.9209 10.9209 11.3238 11.3238 11.7852 11.7852 12.0542 12.0542 12.2780 12.2780 12.3775 12.3775 k = 0.3788-0.1376 0.2304 ( 4833 PWs) bands (ev): -4.1172 -4.1172 -3.1470 -3.1470 -2.4672 -2.4672 -2.1401 -2.1401 -1.1275 -1.1275 -0.7262 -0.7262 0.7130 0.7130 1.1003 1.1003 1.4028 1.4028 2.4685 2.4685 3.9203 3.9203 4.1298 4.1298 4.6419 4.6419 4.7690 4.7690 5.1424 5.1424 5.5403 5.5403 5.7793 5.7793 6.1130 6.1130 6.6544 6.6544 7.7860 7.7860 7.9848 7.9848 8.3365 8.3365 8.4435 8.4435 8.7055 8.7055 9.1066 9.1066 9.3642 9.3642 9.7712 9.7712 10.2986 10.2986 10.9890 10.9890 11.3763 11.3763 11.7937 11.7937 12.1153 12.1153 12.3446 12.3446 12.4396 12.4396 k = 0.3636-0.1321 0.2212 ( 4832 PWs) bands (ev): -4.1776 -4.1776 -3.1142 -3.1142 -2.4111 -2.4111 -2.1042 -2.1042 -1.1378 -1.1378 -0.7286 -0.7286 0.6958 0.6958 1.0622 1.0622 1.4057 1.4057 2.4988 2.4988 3.9359 3.9359 4.0987 4.0987 4.7145 4.7145 4.7563 4.7563 5.1567 5.1567 5.4495 5.4495 5.7381 5.7381 6.0482 6.0482 6.6747 6.6747 7.7177 7.7177 7.9196 7.9196 8.2945 8.2945 8.4210 8.4210 8.7256 8.7256 9.1133 9.1133 9.3470 9.3470 9.9301 9.9301 10.3041 10.3041 10.9999 10.9999 11.4713 11.4713 11.7818 11.7818 12.1413 12.1413 12.4207 12.4207 12.5039 12.5039 k = 0.3485-0.1266 0.2119 ( 4838 PWs) bands (ev): -4.2362 -4.2362 -3.0843 -3.0843 -2.3520 -2.3520 -2.0638 -2.0638 -1.1495 -1.1495 -0.7329 -0.7329 0.6834 0.6834 1.0189 1.0189 1.4148 1.4148 2.5244 2.5244 3.9561 3.9561 4.0712 4.0712 4.6787 4.6787 4.8432 4.8432 5.1622 5.1622 5.3434 5.3434 5.7177 5.7177 5.9931 5.9931 6.7007 6.7007 7.6020 7.6020 7.8786 7.8786 8.2458 8.2458 8.3569 8.3569 8.7855 8.7855 9.1109 9.1109 9.3699 9.3699 10.1017 10.1017 10.3168 10.3168 10.9810 10.9810 11.5651 11.5651 11.7651 11.7651 12.1275 12.1275 12.5091 12.5091 12.5715 12.5715 k = 0.3333-0.1211 0.2027 ( 4834 PWs) bands (ev): -4.2930 -4.2930 -3.0566 -3.0566 -2.2916 -2.2916 -2.0185 -2.0185 -1.1633 -1.1633 -0.7391 -0.7391 0.6764 0.6764 0.9730 0.9730 1.4286 1.4286 2.5443 2.5443 3.9782 3.9782 4.0498 4.0498 4.6261 4.6261 4.9363 4.9363 5.1281 5.1281 5.2676 5.2676 5.7020 5.7020 5.9518 5.9518 6.7305 6.7305 7.4662 7.4662 7.8328 7.8328 8.1964 8.1964 8.2922 8.2922 8.8430 8.8430 9.1073 9.1073 9.4316 9.4316 10.2457 10.2457 10.3669 10.3669 10.9539 10.9539 11.5959 11.5959 11.7716 11.7716 12.1063 12.1063 12.5996 12.5996 12.6473 12.6473 k = 0.3182-0.1156 0.1935 ( 4832 PWs) bands (ev): -4.3478 -4.3478 -3.0303 -3.0303 -2.2312 -2.2312 -1.9683 -1.9683 -1.1797 -1.1797 -0.7463 -0.7463 0.6750 0.6750 0.9265 0.9265 1.4461 1.4461 2.5576 2.5576 3.9905 3.9905 4.0457 4.0457 4.5685 4.5685 4.9822 4.9822 5.0715 5.0715 5.2511 5.2511 5.6823 5.6823 5.9289 5.9289 6.7613 6.7613 7.3217 7.3217 7.7792 7.7792 8.1492 8.1492 8.2339 8.2339 8.8876 8.8876 9.1144 9.1144 9.5184 9.5184 10.2980 10.2980 10.5083 10.5083 10.9347 10.9347 11.5497 11.5497 11.7880 11.7880 12.1109 12.1109 12.6861 12.6861 12.7364 12.7364 k = 0.3030-0.1101 0.1843 ( 4838 PWs) bands (ev): -4.4004 -4.4004 -3.0048 -3.0048 -2.1723 -2.1723 -1.9131 -1.9131 -1.1996 -1.1996 -0.7537 -0.7537 0.6789 0.6789 0.8815 0.8815 1.4664 1.4664 2.5640 2.5640 3.9813 3.9813 4.0701 4.0701 4.5082 4.5082 4.8829 4.8829 5.1191 5.1191 5.2641 5.2641 5.6559 5.6559 5.9261 5.9261 6.7855 6.7855 7.1778 7.1778 7.7267 7.7267 8.1022 8.1022 8.1800 8.1800 8.9202 8.9202 9.1392 9.1392 9.6150 9.6150 10.3259 10.3259 10.6464 10.6464 10.9542 10.9542 11.4681 11.4681 11.7743 11.7743 12.1453 12.1453 12.7721 12.7721 12.8353 12.8353 k = 0.2879-0.1046 0.1751 ( 4836 PWs) bands (ev): -4.4509 -4.4509 -2.9794 -2.9794 -2.1156 -2.1156 -1.8537 -1.8537 -1.2237 -1.2237 -0.7602 -0.7602 0.6865 0.6865 0.8405 0.8405 1.4893 1.4893 2.5632 2.5632 3.9644 3.9644 4.1081 4.1081 4.4465 4.4465 4.7605 4.7605 5.1406 5.1406 5.3126 5.3126 5.6268 5.6268 5.9409 5.9409 6.7780 6.7780 7.0610 7.0610 7.6829 7.6829 8.0499 8.0499 8.1339 8.1339 8.9432 8.9432 9.1826 9.1826 9.7078 9.7078 10.3591 10.3591 10.7062 10.7062 11.0573 11.0573 11.3751 11.3751 11.7379 11.7379 12.1879 12.1879 12.8556 12.8556 12.9401 12.9401 k = 0.2727-0.0990 0.1659 ( 4834 PWs) bands (ev): -4.4990 -4.4990 -2.9538 -2.9538 -2.0613 -2.0613 -1.7909 -1.7909 -1.2526 -1.2526 -0.7648 -0.7648 0.6933 0.6933 0.8085 0.8085 1.5143 1.5143 2.5552 2.5552 3.9462 3.9462 4.1520 4.1520 4.3845 4.3845 4.6393 4.6393 5.1217 5.1217 5.3825 5.3825 5.6023 5.6023 5.9694 5.9694 6.6917 6.6917 7.0202 7.0202 7.6494 7.6494 7.9904 7.9904 8.1011 8.1011 8.9594 8.9594 9.2414 9.2414 9.7862 9.7862 10.4007 10.4007 10.7111 10.7111 11.1762 11.1762 11.3243 11.3243 11.6923 11.6923 12.2252 12.2252 12.9307 12.9307 13.0450 13.0450 k = 0.2576-0.0935 0.1567 ( 4835 PWs) bands (ev): -4.5448 -4.5448 -2.9275 -2.9275 -2.0094 -2.0094 -1.7260 -1.7260 -1.2866 -1.2866 -0.7665 -0.7665 0.6896 0.6896 0.7956 0.7956 1.5413 1.5413 2.5405 2.5405 3.9274 3.9274 4.1982 4.1982 4.3241 4.3241 4.5239 4.5239 5.0805 5.0805 5.4409 5.4409 5.5971 5.5971 6.0079 6.0079 6.5428 6.5428 7.0406 7.0406 7.6218 7.6218 7.9317 7.9317 8.0823 8.0823 8.9703 8.9703 9.3108 9.3108 9.8447 9.8447 10.4415 10.4415 10.7099 10.7099 11.1309 11.1309 11.4558 11.4558 11.6496 11.6496 12.2545 12.2545 12.9941 12.9941 13.1408 13.1408 k = 0.2424-0.0880 0.1474 ( 4834 PWs) bands (ev): -4.5882 -4.5882 -2.9003 -2.9003 -1.9596 -1.9596 -1.6607 -1.6607 -1.3257 -1.3257 -0.7648 -0.7648 0.6705 0.6705 0.8067 0.8067 1.5701 1.5701 2.5195 2.5195 3.9076 3.9076 4.2265 4.2265 4.2824 4.2824 4.4191 4.4191 5.0248 5.0248 5.4613 5.4613 5.6307 5.6307 6.0534 6.0534 6.3732 6.3732 7.0817 7.0817 7.5899 7.5899 7.8884 7.8884 8.0773 8.0773 8.9767 8.9767 9.3865 9.3865 9.8832 9.8832 10.4627 10.4627 10.7162 10.7162 11.0627 11.0627 11.5442 11.5442 11.7008 11.7008 12.2766 12.2766 13.0455 13.0455 13.2191 13.2191 k = 0.2273-0.0825 0.1382 ( 4836 PWs) bands (ev): -4.6291 -4.6291 -2.8719 -2.8719 -1.9116 -1.9116 -1.5964 -1.5964 -1.3696 -1.3696 -0.7593 -0.7593 0.6446 0.6446 0.8332 0.8332 1.6006 1.6006 2.4930 2.4930 3.8865 3.8865 4.1805 4.1805 4.2853 4.2853 4.3566 4.3566 4.9584 4.9584 5.4549 5.4549 5.6890 5.6890 6.0954 6.0954 6.2068 6.2068 7.1263 7.1263 7.5458 7.5458 7.8732 7.8732 8.0862 8.0862 8.9787 8.9787 9.4647 9.4647 9.9058 9.9058 10.4564 10.4564 10.6994 10.6994 11.0525 11.0525 11.5058 11.5058 11.8836 11.8836 12.2932 12.2932 13.0854 13.0854 13.2675 13.2675 k = 0.2121-0.0770 0.1290 ( 4840 PWs) bands (ev): -4.6676 -4.6676 -2.8421 -2.8421 -1.8652 -1.8652 -1.5345 -1.5345 -1.4176 -1.4176 -0.7501 -0.7501 0.6187 0.6187 0.8677 0.8677 1.6325 1.6325 2.4619 2.4619 3.8634 3.8634 4.1136 4.1136 4.2197 4.2197 4.3970 4.3970 4.8843 4.8843 5.4428 5.4428 5.7480 5.7480 5.9997 5.9997 6.1831 6.1831 7.1617 7.1617 7.4972 7.4972 7.8872 7.8872 8.1096 8.1096 8.9759 8.9759 9.5419 9.5419 9.9173 9.9173 10.4314 10.4314 10.6354 10.6354 11.1114 11.1114 11.4612 11.4612 12.0748 12.0748 12.3069 12.3069 13.1153 13.1153 13.2774 13.2774 k = 0.1970-0.0715 0.1198 ( 4839 PWs) bands (ev): -4.7035 -4.7035 -2.8109 -2.8109 -1.8205 -1.8205 -1.4804 -1.4804 -1.4649 -1.4649 -0.7374 -0.7374 0.5958 0.5958 0.9070 0.9070 1.6657 1.6657 2.4272 2.4272 3.8377 3.8377 4.0413 4.0413 4.1523 4.1523 4.4590 4.4590 4.8055 4.8055 5.4323 5.4323 5.7876 5.7876 5.8372 5.8372 6.2438 6.2438 7.1675 7.1675 7.4697 7.4697 7.9224 7.9224 8.1477 8.1477 8.9680 8.9680 9.6150 9.6150 9.9215 9.9215 10.3942 10.3942 10.5504 10.5504 11.1833 11.1833 11.4454 11.4454 12.2400 12.2400 12.3356 12.3356 13.1369 13.1369 13.2604 13.2604 k = 0.1818-0.0660 0.1106 ( 4838 PWs) bands (ev): -4.7368 -4.7368 -2.7780 -2.7780 -1.7776 -1.7776 -1.5241 -1.5241 -1.4217 -1.4217 -0.7215 -0.7215 0.5768 0.5768 0.9496 0.9496 1.6998 1.6998 2.3900 2.3900 3.8090 3.8090 3.9686 3.9686 4.0956 4.0956 4.5253 4.5253 4.7254 4.7254 5.4242 5.4242 5.6468 5.6468 5.8432 5.8432 6.3129 6.3129 7.1288 7.1288 7.4848 7.4848 7.9714 7.9714 8.1998 8.1998 8.9548 8.9548 9.6809 9.6809 9.9209 9.9209 10.3424 10.3424 10.4714 10.4714 11.2010 11.2010 11.5027 11.5027 12.2877 12.2877 12.4639 12.4639 13.1504 13.1504 13.2317 13.2317 k = 0.1667-0.0605 0.1014 ( 4837 PWs) bands (ev): -4.7676 -4.7676 -2.7434 -2.7434 -1.7378 -1.7378 -1.5784 -1.5784 -1.3742 -1.3742 -0.7026 -0.7026 0.5621 0.5621 0.9941 0.9941 1.7344 1.7344 2.3514 2.3514 3.7764 3.7764 3.9003 3.9003 4.0480 4.0480 4.5831 4.5831 4.6571 4.6571 5.4045 5.4045 5.4932 5.4932 5.8678 5.8678 6.3845 6.3845 7.0609 7.0609 7.5331 7.5331 8.0286 8.0286 8.2640 8.2640 8.9366 8.9366 9.7360 9.7360 9.9174 9.9174 10.2705 10.2705 10.4151 10.4151 11.1685 11.1685 11.6191 11.6191 12.2871 12.2871 12.6138 12.6138 13.1429 13.1429 13.2167 13.2167 k = 0.1515-0.0550 0.0922 ( 4829 PWs) bands (ev): -4.7958 -4.7958 -2.7070 -2.7070 -1.7074 -1.7074 -1.6264 -1.6264 -1.3333 -1.3333 -0.6813 -0.6813 0.5515 0.5515 1.0398 1.0398 1.7693 1.7693 2.3127 2.3127 3.7393 3.7393 3.8398 3.8398 4.0082 4.0082 4.5465 4.5465 4.6876 4.6876 5.2838 5.2838 5.4491 5.4491 5.8800 5.8800 6.4516 6.4516 6.9873 6.9873 7.5982 7.5982 8.0906 8.0906 8.3361 8.3361 8.9152 8.9152 9.7765 9.7765 9.9120 9.9120 10.1859 10.1859 10.3806 10.3806 11.1215 11.1215 11.7536 11.7536 12.2761 12.2761 12.7339 12.7339 13.1071 13.1071 13.2392 13.2392 k = 0.1364-0.0495 0.0829 ( 4832 PWs) bands (ev): -4.8213 -4.8213 -2.6689 -2.6689 -1.7219 -1.7219 -1.6321 -1.6321 -1.2996 -1.2996 -0.6579 -0.6579 0.5446 0.5446 1.0856 1.0856 1.8036 1.8036 2.2751 2.2751 3.6975 3.6975 3.7896 3.7896 3.9756 3.9756 4.4721 4.4721 4.7614 4.7614 5.1244 5.1244 5.4539 5.4539 5.8806 5.8806 6.5002 6.5002 6.9302 6.9302 7.6714 7.6714 8.1550 8.1550 8.4088 8.4088 8.8955 8.8955 9.7981 9.7981 9.9056 9.9056 10.1009 10.1009 10.3601 10.3601 11.0745 11.0745 11.8874 11.8874 12.2574 12.2574 12.8024 12.8024 13.0743 13.0743 13.2897 13.2897 k = 0.1212-0.0440 0.0737 ( 4831 PWs) bands (ev): -4.8442 -4.8442 -2.6289 -2.6289 -1.7742 -1.7742 -1.6022 -1.6022 -1.2734 -1.2734 -0.6330 -0.6330 0.5409 0.5409 1.1308 1.1308 1.8370 1.8370 2.2397 2.2397 3.6520 3.6520 3.7506 3.7506 3.9496 3.9496 4.3990 4.3990 4.8375 4.8375 4.9703 4.9703 5.4671 5.4671 5.8709 5.8709 6.5080 6.5080 6.9148 6.9148 7.7486 7.7486 8.2197 8.2197 8.4693 8.4693 8.8879 8.8879 9.7959 9.7959 9.8978 9.8978 10.0245 10.0245 10.3501 10.3501 11.0334 11.0334 12.0080 12.0080 12.2329 12.2329 12.8084 12.8084 13.0679 13.0679 13.3568 13.3568 k = 0.1061-0.0385 0.0645 ( 4832 PWs) bands (ev): -4.8644 -4.8644 -2.5871 -2.5871 -1.8329 -1.8329 -1.5678 -1.5678 -1.2546 -1.2546 -0.6073 -0.6073 0.5394 0.5394 1.1743 1.1743 1.8684 1.8684 2.2076 2.2076 3.6050 3.6050 3.7226 3.7226 3.9299 3.9299 4.3308 4.3308 4.8054 4.8054 4.9333 4.9333 5.4853 5.4853 5.8524 5.8524 6.4666 6.4666 6.9505 6.9505 7.8269 7.8269 8.2829 8.2829 8.5005 8.5005 8.9079 8.9079 9.7663 9.7663 9.8865 9.8865 9.9652 9.9652 10.3478 10.3478 11.0010 11.0010 12.0917 12.0917 12.2181 12.2181 12.7715 12.7715 13.0895 13.0895 13.4004 13.4004 k = 0.0909-0.0330 0.0553 ( 4831 PWs) bands (ev): -4.8820 -4.8820 -2.5434 -2.5434 -1.8929 -1.8929 -1.5339 -1.5339 -1.2428 -1.2428 -0.5818 -0.5818 0.5394 0.5394 1.2152 1.2152 1.8972 1.8972 2.1796 2.1796 3.5588 3.5588 3.7056 3.7056 3.9159 3.9159 4.2687 4.2687 4.6651 4.6651 5.0140 5.0140 5.5073 5.5073 5.8265 5.8265 6.3947 6.3947 7.0188 7.0188 7.9035 7.9035 8.3418 8.3418 8.4953 8.4953 8.9632 8.9632 9.7124 9.7124 9.8657 9.8657 9.9288 9.9288 10.3505 10.3505 10.9790 10.9790 12.0892 12.0892 12.2563 12.2563 12.7197 12.7197 13.1328 13.1328 13.4095 13.4095 k = 0.0758-0.0275 0.0461 ( 4831 PWs) bands (ev): -4.8968 -4.8968 -2.4979 -2.4979 -1.9530 -1.9530 -1.5017 -1.5017 -1.2372 -1.2372 -0.5574 -0.5574 0.5402 0.5402 1.2525 1.2525 1.9224 1.9224 2.1564 2.1564 3.5152 3.5152 3.7001 3.7001 3.9072 3.9072 4.2135 4.2135 4.5308 4.5308 5.0993 5.0993 5.5320 5.5320 5.7944 5.7944 6.3109 6.3109 7.1008 7.1008 7.9750 7.9750 8.3878 8.3878 8.4715 8.4715 9.0434 9.0434 9.6456 9.6456 9.8319 9.8319 9.9114 9.9114 10.3556 10.3556 10.9678 10.9678 12.0365 12.0365 12.3107 12.3107 12.6688 12.6688 13.1959 13.1959 13.4155 13.4155 k = 0.0606-0.0220 0.0369 ( 4831 PWs) bands (ev): -4.9090 -4.9090 -2.4507 -2.4507 -2.0126 -2.0126 -1.4721 -1.4721 -1.2368 -1.2368 -0.5353 -0.5353 0.5411 0.5411 1.2851 1.2851 1.9434 1.9434 2.1384 2.1384 3.4760 3.4760 3.7059 3.7059 3.9038 3.9038 4.1655 4.1655 4.4071 4.4071 5.1855 5.1855 5.5579 5.5579 5.7572 5.7572 6.2259 6.2259 7.1855 7.1855 8.0367 8.0367 8.3841 8.3841 8.4804 8.4804 9.1340 9.1340 9.5772 9.5772 9.7887 9.7887 9.9029 9.9029 10.3609 10.3609 10.9665 10.9665 11.9714 11.9714 12.3488 12.3488 12.6268 12.6268 13.2754 13.2754 13.4229 13.4229 k = 0.0455-0.0165 0.0276 ( 4834 PWs) bands (ev): -4.9185 -4.9185 -2.4018 -2.4018 -2.0714 -2.0714 -1.4460 -1.4460 -1.2402 -1.2402 -0.5167 -0.5167 0.5418 0.5418 1.3119 1.3119 1.9595 1.9595 2.1256 2.1256 3.4429 3.4429 3.7216 3.7216 3.9057 3.9057 4.1243 4.1243 4.2975 4.2975 5.2711 5.2711 5.5815 5.5815 5.7171 5.7171 6.1464 6.1464 7.2655 7.2655 8.0817 8.0817 8.3475 8.3475 8.5183 8.5183 9.2233 9.2233 9.5176 9.5176 9.7382 9.7382 9.8981 9.8981 10.3653 10.3653 10.9726 10.9726 11.9062 11.9062 12.3681 12.3681 12.5979 12.5979 13.3637 13.3637 13.4310 13.4310 k = 0.0303-0.0110 0.0184 ( 4829 PWs) bands (ev): -4.9253 -4.9253 -2.3515 -2.3515 -2.1289 -2.1289 -1.4249 -1.4249 -1.2455 -1.2455 -0.5025 -0.5025 0.5423 0.5423 1.3319 1.3319 1.9705 1.9705 2.1173 2.1173 3.4177 3.4177 3.7433 3.7433 3.9141 3.9141 4.0880 4.0880 4.2080 4.2080 5.3545 5.3545 5.5912 5.5912 5.6827 5.6827 6.0791 6.0791 7.3331 7.3331 8.1031 8.1031 8.3202 8.3202 8.5533 8.5533 9.2975 9.2975 9.4813 9.4813 9.6811 9.6811 9.8952 9.8952 10.3684 10.3684 10.9825 10.9825 11.8505 11.8505 12.3733 12.3733 12.5821 12.5821 13.4362 13.4362 13.4537 13.4537 k = 0.0152-0.0055 0.0092 ( 4832 PWs) bands (ev): -4.9293 -4.9293 -2.3007 -2.3007 -2.1841 -2.1841 -1.4107 -1.4107 -1.2504 -1.2504 -0.4936 -0.4936 0.5426 0.5426 1.3443 1.3443 1.9769 1.9769 2.1130 2.1130 3.4019 3.4019 3.7633 3.7633 3.9294 3.9294 4.0526 4.0526 4.1503 4.1503 5.4335 5.4335 5.5635 5.5635 5.6728 5.6728 6.0322 6.0322 7.3797 7.3797 8.1040 8.1040 8.3105 8.3105 8.5773 8.5773 9.3335 9.3335 9.4937 9.4937 9.6186 9.6186 9.8936 9.8936 10.3702 10.3702 10.9914 10.9914 11.8126 11.8126 12.3723 12.3723 12.5755 12.5755 13.4421 13.4421 13.5277 13.5277 k = 0.0000 0.0000 0.0000 ( 4837 PWs) bands (ev): -4.9307 -4.9307 -2.2629 -2.2629 -2.2233 -2.2233 -1.4056 -1.4056 -1.2524 -1.2524 -0.4906 -0.4906 0.5426 0.5426 1.3485 1.3485 1.9789 1.9789 2.1116 2.1116 3.3966 3.3966 3.7716 3.7716 3.9411 3.9411 4.0316 4.0316 4.1319 4.1319 5.5017 5.5017 5.5087 5.5087 5.6746 5.6746 6.0149 6.0149 7.3966 7.3966 8.1011 8.1011 8.3093 8.3093 8.5858 8.5858 9.3382 9.3382 9.5366 9.5366 9.5658 9.5658 9.8931 9.8931 10.3708 10.3708 10.9949 10.9949 11.7991 11.7991 12.3712 12.3712 12.5738 12.5738 13.4438 13.4438 13.5627 13.5627 Writing output data file Sb2Te3.save init_run : 0.45s CPU 0.57s WALL ( 1 calls) electrons : 440.08s CPU 444.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 440.07s CPU 444.81s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.13s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 254 calls) cegterg : 415.59s CPU 419.59s WALL ( 541 calls) Called by sum_band: Called by *egterg: h_psi : 206.40s CPU 210.03s WALL ( 8982 calls) s_psi : 16.12s CPU 16.16s WALL ( 8982 calls) g_psi : 0.20s CPU 0.20s WALL ( 8187 calls) cdiaghg : 178.80s CPU 179.21s WALL ( 8441 calls) cegterg:over : 15.80s CPU 15.86s WALL ( 8187 calls) cegterg:upda : 7.35s CPU 7.44s WALL ( 8187 calls) cegterg:last : 4.39s CPU 4.56s WALL ( 1303 calls) cdiaghg:chol : 6.46s CPU 6.50s WALL ( 8441 calls) cdiaghg:inve : 4.72s CPU 4.75s WALL ( 8441 calls) cdiaghg:para : 11.79s CPU 11.96s WALL ( 16882 calls) Called by h_psi: h_psi:vloc : 169.92s CPU 173.49s WALL ( 8982 calls) h_psi:vnl : 36.25s CPU 36.34s WALL ( 8982 calls) add_vuspsi : 19.67s CPU 19.73s WALL ( 8982 calls) General routines calbec : 16.55s CPU 16.59s WALL ( 8982 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 165.93s CPU 169.19s WALL ( 1077612 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.27s WALL ( 508 calls) Parallel routines fft_scatter : 127.36s CPU 130.05s WALL ( 1077635 calls) PWSCF : 8m 3.75s CPU 8m25.80s WALL This run was terminated on: 9:43:40 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=