Program PWSCF v.5.1.1 starts on 27Oct2015 at 14: 9:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Hg2GeSe4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 111 46 13 3679 967 147 Max 112 47 14 3683 987 149 Sum 5373 2227 627 176697 46973 7123 bravais-lattice index = 14 lattice parameter (alat) = 13.0929 a.u. unit-cell volume = 1232.6869 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.092861 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.662654 celldm(5)= -0.662654 celldm(6)= 0.325308 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.325308 0.945608 0.000000 ) a(3) = ( -0.662654 -0.472804 0.580815 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.344020 0.860859 ) b(2) = ( 0.000000 1.057520 0.860859 ) b(3) = ( 0.000000 0.000000 1.721718 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Hg 12.00 200.59000 Hg( 1.00) Se 6.00 78.96000 Se( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0215215), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0430430), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0645644), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0860859), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.1076074), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1291289), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1506504), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1721718), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1936933), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.2152148), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2367363), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2582578), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2797793), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.3013007), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.3228222), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3443437), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3658652), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3873867), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.4089081), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.4304296), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4519511), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4734726), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4949941), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.5165155), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.5380370), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5595585), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5810800), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.6026015), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.6241230), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.6456444), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.6671659), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.6886874), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.7102089), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.7317304), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.7532518), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.7747733), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.7962948), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.8178163), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.8393378), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.8608592), wk = 0.0036765 k( 42) = ( 0.0000000 0.0000000 0.8608592), wk = 0.0036765 k( 43) = ( -0.0127271 0.0178375 0.8608592), wk = 0.0036765 k( 44) = ( -0.0254542 0.0356750 0.8608592), wk = 0.0036765 k( 45) = ( -0.0381813 0.0535126 0.8608592), wk = 0.0036765 k( 46) = ( -0.0509083 0.0713501 0.8608592), wk = 0.0036765 k( 47) = ( -0.0636354 0.0891876 0.8608592), wk = 0.0036765 k( 48) = ( -0.0763625 0.1070251 0.8608592), wk = 0.0036765 k( 49) = ( -0.0890896 0.1248626 0.8608592), wk = 0.0036765 k( 50) = ( -0.1018167 0.1427002 0.8608592), wk = 0.0036765 k( 51) = ( -0.1145438 0.1605377 0.8608592), wk = 0.0036765 k( 52) = ( -0.1272709 0.1783752 0.8608592), wk = 0.0036765 k( 53) = ( -0.1272709 0.1783752 0.8608592), wk = 0.0036765 k( 54) = ( -0.1361454 0.1908132 0.8455799), wk = 0.0036765 k( 55) = ( -0.1450199 0.2032512 0.8303004), wk = 0.0036765 k( 56) = ( -0.1538944 0.2156891 0.8150211), wk = 0.0036765 k( 57) = ( -0.1627689 0.2281271 0.7997417), wk = 0.0036765 k( 58) = ( -0.1716434 0.2405651 0.7844623), wk = 0.0036765 k( 59) = ( -0.1805179 0.2530030 0.7691829), wk = 0.0036765 k( 60) = ( -0.1893924 0.2654410 0.7539035), wk = 0.0036765 k( 61) = ( -0.1982669 0.2778790 0.7386241), wk = 0.0036765 k( 62) = ( -0.2071414 0.2903170 0.7233447), wk = 0.0036765 k( 63) = ( -0.2160159 0.3027549 0.7080653), wk = 0.0036765 k( 64) = ( -0.2248904 0.3151929 0.6927859), wk = 0.0036765 k( 65) = ( -0.2337649 0.3276309 0.6775065), wk = 0.0036765 k( 66) = ( -0.2426394 0.3400688 0.6622271), wk = 0.0036765 k( 67) = ( -0.2515139 0.3525068 0.6469477), wk = 0.0036765 k( 68) = ( -0.2603884 0.3649448 0.6316683), wk = 0.0036765 k( 69) = ( -0.2692629 0.3773828 0.6163889), wk = 0.0036765 k( 70) = ( -0.2781374 0.3898207 0.6011095), wk = 0.0036765 k( 71) = ( -0.2870119 0.4022587 0.5858301), wk = 0.0036765 k( 72) = ( -0.2958864 0.4146967 0.5705507), wk = 0.0036765 k( 73) = ( -0.3047609 0.4271347 0.5552713), wk = 0.0036765 k( 74) = ( -0.3136354 0.4395726 0.5399919), wk = 0.0036765 k( 75) = ( -0.3136354 0.4395726 0.5399919), wk = 0.0036765 k( 76) = ( -0.3046744 0.4270134 0.5245636), wk = 0.0036765 k( 77) = ( -0.2957134 0.4144542 0.5091352), wk = 0.0036765 k( 78) = ( -0.2867524 0.4018950 0.4937069), wk = 0.0036765 k( 79) = ( -0.2777914 0.3893357 0.4782786), wk = 0.0036765 k( 80) = ( -0.2688304 0.3767765 0.4628502), wk = 0.0036765 k( 81) = ( -0.2598694 0.3642173 0.4474219), wk = 0.0036765 k( 82) = ( -0.2509083 0.3516581 0.4319935), wk = 0.0036765 k( 83) = ( -0.2419473 0.3390989 0.4165652), wk = 0.0036765 k( 84) = ( -0.2329863 0.3265397 0.4011369), wk = 0.0036765 k( 85) = ( -0.2240253 0.3139804 0.3857085), wk = 0.0036765 k( 86) = ( -0.2150643 0.3014212 0.3702802), wk = 0.0036765 k( 87) = ( -0.2061033 0.2888620 0.3548518), wk = 0.0036765 k( 88) = ( -0.1971423 0.2763028 0.3394235), wk = 0.0036765 k( 89) = ( -0.1881813 0.2637436 0.3239952), wk = 0.0036765 k( 90) = ( -0.1792202 0.2511844 0.3085668), wk = 0.0036765 k( 91) = ( -0.1702592 0.2386251 0.2931385), wk = 0.0036765 k( 92) = ( -0.1612982 0.2260659 0.2777101), wk = 0.0036765 k( 93) = ( -0.1523372 0.2135067 0.2622818), wk = 0.0036765 k( 94) = ( -0.1433762 0.2009475 0.2468535), wk = 0.0036765 k( 95) = ( -0.1344152 0.1883883 0.2314251), wk = 0.0036765 k( 96) = ( -0.1254542 0.1758290 0.2159968), wk = 0.0036765 k( 97) = ( -0.1164932 0.1632698 0.2005684), wk = 0.0036765 k( 98) = ( -0.1075322 0.1507106 0.1851401), wk = 0.0036765 k( 99) = ( -0.0985711 0.1381514 0.1697118), wk = 0.0036765 k( 100) = ( -0.0896101 0.1255922 0.1542834), wk = 0.0036765 k( 101) = ( -0.0806491 0.1130330 0.1388551), wk = 0.0036765 k( 102) = ( -0.0716881 0.1004737 0.1234267), wk = 0.0036765 k( 103) = ( -0.0627271 0.0879145 0.1079984), wk = 0.0036765 k( 104) = ( -0.0537661 0.0753553 0.0925700), wk = 0.0036765 k( 105) = ( -0.0448051 0.0627961 0.0771417), wk = 0.0036765 k( 106) = ( -0.0358441 0.0502369 0.0617134), wk = 0.0036765 k( 107) = ( -0.0268830 0.0376777 0.0462850), wk = 0.0036765 k( 108) = ( -0.0179220 0.0251184 0.0308567), wk = 0.0036765 k( 109) = ( -0.0089610 0.0125592 0.0154283), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 112) = ( 0.0178571 0.0127411 0.0000000), wk = 0.0036765 k( 113) = ( 0.0357143 0.0254822 0.0000000), wk = 0.0036765 k( 114) = ( 0.0535714 0.0382233 0.0000000), wk = 0.0036765 k( 115) = ( 0.0714286 0.0509643 0.0000000), wk = 0.0036765 k( 116) = ( 0.0892857 0.0637054 0.0000000), wk = 0.0036765 k( 117) = ( 0.1071429 0.0764465 0.0000000), wk = 0.0036765 k( 118) = ( 0.1250000 0.0891876 0.0000000), wk = 0.0036765 k( 119) = ( 0.1428571 0.1019287 0.0000000), wk = 0.0036765 k( 120) = ( 0.1607143 0.1146698 0.0000000), wk = 0.0036765 k( 121) = ( 0.1785714 0.1274109 0.0000000), wk = 0.0036765 k( 122) = ( 0.1964286 0.1401519 0.0000000), wk = 0.0036765 k( 123) = ( 0.2142857 0.1528930 0.0000000), wk = 0.0036765 k( 124) = ( 0.2321429 0.1656341 0.0000000), wk = 0.0036765 k( 125) = ( 0.2500000 0.1783752 0.0000000), wk = 0.0036765 k( 126) = ( 0.2678571 0.1911163 0.0000000), wk = 0.0036765 k( 127) = ( 0.2857143 0.2038574 0.0000000), wk = 0.0036765 k( 128) = ( 0.3035714 0.2165985 0.0000000), wk = 0.0036765 k( 129) = ( 0.3214286 0.2293396 0.0000000), wk = 0.0036765 k( 130) = ( 0.3392857 0.2420806 0.0000000), wk = 0.0036765 k( 131) = ( 0.3571429 0.2548217 0.0000000), wk = 0.0036765 k( 132) = ( 0.3750000 0.2675628 0.0000000), wk = 0.0036765 k( 133) = ( 0.3928571 0.2803039 0.0000000), wk = 0.0036765 k( 134) = ( 0.4107143 0.2930450 0.0000000), wk = 0.0036765 k( 135) = ( 0.4285714 0.3057861 0.0000000), wk = 0.0036765 k( 136) = ( 0.4464286 0.3185272 0.0000000), wk = 0.0036765 k( 137) = ( 0.4642857 0.3312682 0.0000000), wk = 0.0036765 k( 138) = ( 0.4821429 0.3440093 0.0000000), wk = 0.0036765 k( 139) = ( 0.5000000 0.3567504 0.0000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.3567504 0.0000000), wk = 0.0036765 k( 141) = ( 0.4911255 0.3691884 0.0152794), wk = 0.0036765 k( 142) = ( 0.4822510 0.3816264 0.0305588), wk = 0.0036765 k( 143) = ( 0.4733765 0.3940643 0.0458382), wk = 0.0036765 k( 144) = ( 0.4645020 0.4065023 0.0611176), wk = 0.0036765 k( 145) = ( 0.4556275 0.4189403 0.0763970), wk = 0.0036765 k( 146) = ( 0.4467530 0.4313782 0.0916764), wk = 0.0036765 k( 147) = ( 0.4378785 0.4438162 0.1069558), wk = 0.0036765 k( 148) = ( 0.4290040 0.4562542 0.1222352), wk = 0.0036765 k( 149) = ( 0.4201295 0.4686922 0.1375146), wk = 0.0036765 k( 150) = ( 0.4112550 0.4811301 0.1527940), wk = 0.0036765 k( 151) = ( 0.4023805 0.4935681 0.1680734), wk = 0.0036765 k( 152) = ( 0.3935060 0.5060061 0.1833528), wk = 0.0036765 k( 153) = ( 0.3846315 0.5184440 0.1986321), wk = 0.0036765 k( 154) = ( 0.3757569 0.5308820 0.2139116), wk = 0.0036765 k( 155) = ( 0.3668825 0.5433200 0.2291909), wk = 0.0036765 k( 156) = ( 0.3580080 0.5557580 0.2444703), wk = 0.0036765 k( 157) = ( 0.3491334 0.5681959 0.2597497), wk = 0.0036765 k( 158) = ( 0.3402589 0.5806339 0.2750291), wk = 0.0036765 k( 159) = ( 0.3313844 0.5930719 0.2903085), wk = 0.0036765 k( 160) = ( 0.3225099 0.6055099 0.3055879), wk = 0.0036765 k( 161) = ( 0.3136354 0.6179478 0.3208673), wk = 0.0036765 k( 162) = ( 0.3136354 0.6179478 0.3208673), wk = 0.0036765 k( 163) = ( 0.2940332 0.6123736 0.3277150), wk = 0.0036765 k( 164) = ( 0.2744310 0.6067994 0.3345626), wk = 0.0036765 k( 165) = ( 0.2548288 0.6012251 0.3414103), wk = 0.0036765 k( 166) = ( 0.2352266 0.5956509 0.3482579), wk = 0.0036765 k( 167) = ( 0.2156244 0.5900767 0.3551055), wk = 0.0036765 k( 168) = ( 0.1960221 0.5845025 0.3619532), wk = 0.0036765 k( 169) = ( 0.1764199 0.5789282 0.3688008), wk = 0.0036765 k( 170) = ( 0.1568177 0.5733540 0.3756485), wk = 0.0036765 k( 171) = ( 0.1372155 0.5677798 0.3824961), wk = 0.0036765 k( 172) = ( 0.1176133 0.5622056 0.3893438), wk = 0.0036765 k( 173) = ( 0.0980111 0.5566314 0.3961914), wk = 0.0036765 k( 174) = ( 0.0784089 0.5510571 0.4030390), wk = 0.0036765 k( 175) = ( 0.0588066 0.5454829 0.4098867), wk = 0.0036765 k( 176) = ( 0.0392044 0.5399087 0.4167343), wk = 0.0036765 k( 177) = ( 0.0196022 0.5343345 0.4235820), wk = 0.0036765 k( 178) = ( 0.0000000 0.5287602 0.4304296), wk = 0.0036765 k( 179) = ( 0.0000000 0.5287602 0.4304296), wk = 0.0036765 k( 180) = ( 0.0089286 0.5162465 0.4458021), wk = 0.0036765 k( 181) = ( 0.0178571 0.5037327 0.4611746), wk = 0.0036765 k( 182) = ( 0.0267857 0.4912190 0.4765471), wk = 0.0036765 k( 183) = ( 0.0357143 0.4787052 0.4919196), wk = 0.0036765 k( 184) = ( 0.0446429 0.4661915 0.5072921), wk = 0.0036765 k( 185) = ( 0.0535714 0.4536777 0.5226645), wk = 0.0036765 k( 186) = ( 0.0625000 0.4411640 0.5380370), wk = 0.0036765 k( 187) = ( 0.0714286 0.4286502 0.5534095), wk = 0.0036765 k( 188) = ( 0.0803571 0.4161365 0.5687820), wk = 0.0036765 k( 189) = ( 0.0892857 0.4036227 0.5841545), wk = 0.0036765 k( 190) = ( 0.0982143 0.3911090 0.5995270), wk = 0.0036765 k( 191) = ( 0.1071429 0.3785952 0.6148995), wk = 0.0036765 k( 192) = ( 0.1160714 0.3660815 0.6302719), wk = 0.0036765 k( 193) = ( 0.1250000 0.3535677 0.6456444), wk = 0.0036765 k( 194) = ( 0.1339286 0.3410540 0.6610169), wk = 0.0036765 k( 195) = ( 0.1428571 0.3285402 0.6763894), wk = 0.0036765 k( 196) = ( 0.1517857 0.3160265 0.6917619), wk = 0.0036765 k( 197) = ( 0.1607143 0.3035127 0.7071344), wk = 0.0036765 k( 198) = ( 0.1696429 0.2909990 0.7225069), wk = 0.0036765 k( 199) = ( 0.1785714 0.2784852 0.7378794), wk = 0.0036765 k( 200) = ( 0.1875000 0.2659715 0.7532518), wk = 0.0036765 k( 201) = ( 0.1964286 0.2534577 0.7686243), wk = 0.0036765 k( 202) = ( 0.2053571 0.2409440 0.7839968), wk = 0.0036765 k( 203) = ( 0.2142857 0.2284302 0.7993693), wk = 0.0036765 k( 204) = ( 0.2232143 0.2159165 0.8147418), wk = 0.0036765 k( 205) = ( 0.2321429 0.2034027 0.8301143), wk = 0.0036765 k( 206) = ( 0.2410714 0.1908890 0.8454868), wk = 0.0036765 k( 207) = ( 0.2500000 0.1783752 0.8608592), wk = 0.0036765 k( 208) = ( 0.2500000 0.1783752 0.8608592), wk = 0.0036765 k( 209) = ( 0.2638889 0.1882849 0.8486857), wk = 0.0036765 k( 210) = ( 0.2777778 0.1981947 0.8365121), wk = 0.0036765 k( 211) = ( 0.2916667 0.2081044 0.8243385), wk = 0.0036765 k( 212) = ( 0.3055556 0.2180141 0.8121649), wk = 0.0036765 k( 213) = ( 0.3194444 0.2279239 0.7999913), wk = 0.0036765 k( 214) = ( 0.3333333 0.2378336 0.7878177), wk = 0.0036765 k( 215) = ( 0.3472222 0.2477433 0.7756441), wk = 0.0036765 k( 216) = ( 0.3611111 0.2576531 0.7634705), wk = 0.0036765 k( 217) = ( 0.3750000 0.2675628 0.7512969), wk = 0.0036765 k( 218) = ( 0.3888889 0.2774725 0.7391234), wk = 0.0036765 k( 219) = ( 0.4027778 0.2873823 0.7269498), wk = 0.0036765 k( 220) = ( 0.4166667 0.2972920 0.7147762), wk = 0.0036765 k( 221) = ( 0.4305556 0.3072018 0.7026026), wk = 0.0036765 k( 222) = ( 0.4444444 0.3171115 0.6904290), wk = 0.0036765 k( 223) = ( 0.4583333 0.3270212 0.6782554), wk = 0.0036765 k( 224) = ( 0.4722222 0.3369309 0.6660818), wk = 0.0036765 k( 225) = ( 0.4861111 0.3468407 0.6539082), wk = 0.0036765 k( 226) = ( 0.5000000 0.3567504 0.6417347), wk = 0.0036765 k( 227) = ( 0.5000000 0.3567504 0.6417347), wk = 0.0036765 k( 228) = ( 0.5000000 0.3567504 0.6203435), wk = 0.0036765 k( 229) = ( 0.5000000 0.3567504 0.5989523), wk = 0.0036765 k( 230) = ( 0.5000000 0.3567504 0.5775612), wk = 0.0036765 k( 231) = ( 0.5000000 0.3567504 0.5561700), wk = 0.0036765 k( 232) = ( 0.5000000 0.3567504 0.5347789), wk = 0.0036765 k( 233) = ( 0.5000000 0.3567504 0.5133877), wk = 0.0036765 k( 234) = ( 0.5000000 0.3567504 0.4919966), wk = 0.0036765 k( 235) = ( 0.5000000 0.3567504 0.4706054), wk = 0.0036765 k( 236) = ( 0.5000000 0.3567504 0.4492143), wk = 0.0036765 k( 237) = ( 0.5000000 0.3567504 0.4278231), wk = 0.0036765 k( 238) = ( 0.5000000 0.3567504 0.4064319), wk = 0.0036765 k( 239) = ( 0.5000000 0.3567504 0.3850408), wk = 0.0036765 k( 240) = ( 0.5000000 0.3567504 0.3636496), wk = 0.0036765 k( 241) = ( 0.5000000 0.3567504 0.3422585), wk = 0.0036765 k( 242) = ( 0.5000000 0.3567504 0.3208673), wk = 0.0036765 k( 243) = ( 0.5000000 0.3567504 0.2994762), wk = 0.0036765 k( 244) = ( 0.5000000 0.3567504 0.2780850), wk = 0.0036765 k( 245) = ( 0.5000000 0.3567504 0.2566939), wk = 0.0036765 k( 246) = ( 0.5000000 0.3567504 0.2353027), wk = 0.0036765 k( 247) = ( 0.5000000 0.3567504 0.2139116), wk = 0.0036765 k( 248) = ( 0.5000000 0.3567504 0.1925204), wk = 0.0036765 k( 249) = ( 0.5000000 0.3567504 0.1711292), wk = 0.0036765 k( 250) = ( 0.5000000 0.3567504 0.1497381), wk = 0.0036765 k( 251) = ( 0.5000000 0.3567504 0.1283469), wk = 0.0036765 k( 252) = ( 0.5000000 0.3567504 0.1069558), wk = 0.0036765 k( 253) = ( 0.5000000 0.3567504 0.0855646), wk = 0.0036765 k( 254) = ( 0.5000000 0.3567504 0.0641735), wk = 0.0036765 k( 255) = ( 0.5000000 0.3567504 0.0427823), wk = 0.0036765 k( 256) = ( 0.5000000 0.3567504 0.0213911), wk = 0.0036765 k( 257) = ( 0.5000000 0.3567504 0.0000000), wk = 0.0036765 k( 258) = ( 0.0000000 0.0000000 0.8608592), wk = 0.0036765 k( 259) = ( 0.0178571 0.0127411 0.8608592), wk = 0.0036765 k( 260) = ( 0.0357143 0.0254822 0.8608592), wk = 0.0036765 k( 261) = ( 0.0535714 0.0382233 0.8608592), wk = 0.0036765 k( 262) = ( 0.0714286 0.0509643 0.8608592), wk = 0.0036765 k( 263) = ( 0.0892857 0.0637054 0.8608592), wk = 0.0036765 k( 264) = ( 0.1071429 0.0764465 0.8608592), wk = 0.0036765 k( 265) = ( 0.1250000 0.0891876 0.8608592), wk = 0.0036765 k( 266) = ( 0.1428571 0.1019287 0.8608592), wk = 0.0036765 k( 267) = ( 0.1607143 0.1146698 0.8608592), wk = 0.0036765 k( 268) = ( 0.1785714 0.1274109 0.8608592), wk = 0.0036765 k( 269) = ( 0.1964286 0.1401519 0.8608592), wk = 0.0036765 k( 270) = ( 0.2142857 0.1528930 0.8608592), wk = 0.0036765 k( 271) = ( 0.2321429 0.1656341 0.8608592), wk = 0.0036765 k( 272) = ( 0.2500000 0.1783752 0.8608592), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 43) = ( -0.0127271 0.0127271 0.5000000), wk = 0.0036765 k( 44) = ( -0.0254542 0.0254542 0.5000000), wk = 0.0036765 k( 45) = ( -0.0381813 0.0381813 0.5000000), wk = 0.0036765 k( 46) = ( -0.0509083 0.0509083 0.5000000), wk = 0.0036765 k( 47) = ( -0.0636354 0.0636354 0.5000000), wk = 0.0036765 k( 48) = ( -0.0763625 0.0763625 0.5000000), wk = 0.0036765 k( 49) = ( -0.0890896 0.0890896 0.5000000), wk = 0.0036765 k( 50) = ( -0.1018167 0.1018167 0.5000000), wk = 0.0036765 k( 51) = ( -0.1145438 0.1145438 0.5000000), wk = 0.0036765 k( 52) = ( -0.1272709 0.1272709 0.5000000), wk = 0.0036765 k( 53) = ( -0.1272709 0.1272709 0.5000000), wk = 0.0036765 k( 54) = ( -0.1361454 0.1361454 0.4911255), wk = 0.0036765 k( 55) = ( -0.1450199 0.1450199 0.4822510), wk = 0.0036765 k( 56) = ( -0.1538944 0.1538944 0.4733765), wk = 0.0036765 k( 57) = ( -0.1627689 0.1627689 0.4645020), wk = 0.0036765 k( 58) = ( -0.1716434 0.1716434 0.4556275), wk = 0.0036765 k( 59) = ( -0.1805179 0.1805179 0.4467530), wk = 0.0036765 k( 60) = ( -0.1893924 0.1893924 0.4378785), wk = 0.0036765 k( 61) = ( -0.1982669 0.1982669 0.4290040), wk = 0.0036765 k( 62) = ( -0.2071414 0.2071414 0.4201295), wk = 0.0036765 k( 63) = ( -0.2160159 0.2160159 0.4112550), wk = 0.0036765 k( 64) = ( -0.2248904 0.2248904 0.4023805), wk = 0.0036765 k( 65) = ( -0.2337649 0.2337649 0.3935060), wk = 0.0036765 k( 66) = ( -0.2426394 0.2426394 0.3846315), wk = 0.0036765 k( 67) = ( -0.2515139 0.2515139 0.3757569), wk = 0.0036765 k( 68) = ( -0.2603884 0.2603884 0.3668824), wk = 0.0036765 k( 69) = ( -0.2692629 0.2692629 0.3580080), wk = 0.0036765 k( 70) = ( -0.2781374 0.2781374 0.3491334), wk = 0.0036765 k( 71) = ( -0.2870119 0.2870119 0.3402589), wk = 0.0036765 k( 72) = ( -0.2958864 0.2958864 0.3313844), wk = 0.0036765 k( 73) = ( -0.3047609 0.3047609 0.3225099), wk = 0.0036765 k( 74) = ( -0.3136354 0.3136354 0.3136354), wk = 0.0036765 k( 75) = ( -0.3136354 0.3136354 0.3136354), wk = 0.0036765 k( 76) = ( -0.3046744 0.3046744 0.3046744), wk = 0.0036765 k( 77) = ( -0.2957134 0.2957134 0.2957134), wk = 0.0036765 k( 78) = ( -0.2867524 0.2867524 0.2867524), wk = 0.0036765 k( 79) = ( -0.2777914 0.2777914 0.2777914), wk = 0.0036765 k( 80) = ( -0.2688304 0.2688304 0.2688304), wk = 0.0036765 k( 81) = ( -0.2598694 0.2598694 0.2598694), wk = 0.0036765 k( 82) = ( -0.2509083 0.2509083 0.2509083), wk = 0.0036765 k( 83) = ( -0.2419473 0.2419473 0.2419473), wk = 0.0036765 k( 84) = ( -0.2329863 0.2329863 0.2329863), wk = 0.0036765 k( 85) = ( -0.2240253 0.2240253 0.2240253), wk = 0.0036765 k( 86) = ( -0.2150643 0.2150643 0.2150643), wk = 0.0036765 k( 87) = ( -0.2061033 0.2061033 0.2061033), wk = 0.0036765 k( 88) = ( -0.1971423 0.1971423 0.1971423), wk = 0.0036765 k( 89) = ( -0.1881813 0.1881813 0.1881813), wk = 0.0036765 k( 90) = ( -0.1792202 0.1792203 0.1792202), wk = 0.0036765 k( 91) = ( -0.1702592 0.1702592 0.1702592), wk = 0.0036765 k( 92) = ( -0.1612982 0.1612982 0.1612982), wk = 0.0036765 k( 93) = ( -0.1523372 0.1523372 0.1523372), wk = 0.0036765 k( 94) = ( -0.1433762 0.1433762 0.1433762), wk = 0.0036765 k( 95) = ( -0.1344152 0.1344152 0.1344152), wk = 0.0036765 k( 96) = ( -0.1254542 0.1254542 0.1254542), wk = 0.0036765 k( 97) = ( -0.1164932 0.1164932 0.1164932), wk = 0.0036765 k( 98) = ( -0.1075322 0.1075321 0.1075321), wk = 0.0036765 k( 99) = ( -0.0985711 0.0985711 0.0985711), wk = 0.0036765 k( 100) = ( -0.0896101 0.0896101 0.0896101), wk = 0.0036765 k( 101) = ( -0.0806491 0.0806491 0.0806491), wk = 0.0036765 k( 102) = ( -0.0716881 0.0716881 0.0716881), wk = 0.0036765 k( 103) = ( -0.0627271 0.0627271 0.0627271), wk = 0.0036765 k( 104) = ( -0.0537661 0.0537661 0.0537661), wk = 0.0036765 k( 105) = ( -0.0448051 0.0448051 0.0448051), wk = 0.0036765 k( 106) = ( -0.0358441 0.0358441 0.0358441), wk = 0.0036765 k( 107) = ( -0.0268830 0.0268830 0.0268830), wk = 0.0036765 k( 108) = ( -0.0179220 0.0179220 0.0179220), wk = 0.0036765 k( 109) = ( -0.0089610 0.0089610 0.0089610), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 112) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0036765 k( 113) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0036765 k( 114) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0036765 k( 115) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0036765 k( 116) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0036765 k( 117) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0036765 k( 118) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0036765 k( 119) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0036765 k( 120) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0036765 k( 121) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0036765 k( 122) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0036765 k( 123) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0036765 k( 124) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0036765 k( 125) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036765 k( 126) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0036765 k( 127) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0036765 k( 128) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0036765 k( 129) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0036765 k( 130) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0036765 k( 131) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0036765 k( 132) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0036765 k( 133) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0036765 k( 134) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0036765 k( 135) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0036765 k( 136) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0036765 k( 137) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0036765 k( 138) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0036765 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 141) = ( 0.4911255 0.5088745 -0.4911255), wk = 0.0036765 k( 142) = ( 0.4822510 0.5177490 -0.4822510), wk = 0.0036765 k( 143) = ( 0.4733765 0.5266235 -0.4733765), wk = 0.0036765 k( 144) = ( 0.4645020 0.5354980 -0.4645020), wk = 0.0036765 k( 145) = ( 0.4556275 0.5443725 -0.4556275), wk = 0.0036765 k( 146) = ( 0.4467530 0.5532470 -0.4467530), wk = 0.0036765 k( 147) = ( 0.4378785 0.5621215 -0.4378785), wk = 0.0036765 k( 148) = ( 0.4290040 0.5709960 -0.4290040), wk = 0.0036765 k( 149) = ( 0.4201295 0.5798705 -0.4201295), wk = 0.0036765 k( 150) = ( 0.4112550 0.5887450 -0.4112550), wk = 0.0036765 k( 151) = ( 0.4023805 0.5976195 -0.4023805), wk = 0.0036765 k( 152) = ( 0.3935060 0.6064940 -0.3935060), wk = 0.0036765 k( 153) = ( 0.3846315 0.6153685 -0.3846315), wk = 0.0036765 k( 154) = ( 0.3757569 0.6242431 -0.3757569), wk = 0.0036765 k( 155) = ( 0.3668825 0.6331176 -0.3668825), wk = 0.0036765 k( 156) = ( 0.3580080 0.6419921 -0.3580080), wk = 0.0036765 k( 157) = ( 0.3491334 0.6508666 -0.3491334), wk = 0.0036765 k( 158) = ( 0.3402589 0.6597411 -0.3402589), wk = 0.0036765 k( 159) = ( 0.3313844 0.6686156 -0.3313844), wk = 0.0036765 k( 160) = ( 0.3225099 0.6774901 -0.3225099), wk = 0.0036765 k( 161) = ( 0.3136354 0.6863646 -0.3136354), wk = 0.0036765 k( 162) = ( 0.3136354 0.6863646 -0.3136354), wk = 0.0036765 k( 163) = ( 0.2940332 0.6747168 -0.2940332), wk = 0.0036765 k( 164) = ( 0.2744310 0.6630690 -0.2744310), wk = 0.0036765 k( 165) = ( 0.2548288 0.6514212 -0.2548288), wk = 0.0036765 k( 166) = ( 0.2352266 0.6397734 -0.2352266), wk = 0.0036765 k( 167) = ( 0.2156244 0.6281256 -0.2156244), wk = 0.0036765 k( 168) = ( 0.1960221 0.6164779 -0.1960221), wk = 0.0036765 k( 169) = ( 0.1764199 0.6048301 -0.1764199), wk = 0.0036765 k( 170) = ( 0.1568177 0.5931823 -0.1568177), wk = 0.0036765 k( 171) = ( 0.1372155 0.5815345 -0.1372155), wk = 0.0036765 k( 172) = ( 0.1176133 0.5698867 -0.1176133), wk = 0.0036765 k( 173) = ( 0.0980111 0.5582389 -0.0980111), wk = 0.0036765 k( 174) = ( 0.0784089 0.5465911 -0.0784089), wk = 0.0036765 k( 175) = ( 0.0588066 0.5349434 -0.0588066), wk = 0.0036765 k( 176) = ( 0.0392044 0.5232956 -0.0392044), wk = 0.0036765 k( 177) = ( 0.0196022 0.5116478 -0.0196022), wk = 0.0036765 k( 178) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 179) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 180) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036765 k( 181) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036765 k( 182) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036765 k( 183) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036765 k( 184) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036765 k( 185) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036765 k( 186) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036765 k( 187) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036765 k( 188) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036765 k( 189) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036765 k( 190) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036765 k( 191) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036765 k( 192) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036765 k( 193) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036765 k( 194) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036765 k( 195) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036765 k( 196) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036765 k( 197) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036765 k( 198) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036765 k( 199) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036765 k( 200) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036765 k( 201) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036765 k( 202) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036765 k( 203) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036765 k( 204) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036765 k( 205) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036765 k( 206) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036765 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 209) = ( 0.2638889 0.2638889 0.2290405), wk = 0.0036765 k( 210) = ( 0.2777778 0.2777778 0.2080810), wk = 0.0036765 k( 211) = ( 0.2916667 0.2916667 0.1871215), wk = 0.0036765 k( 212) = ( 0.3055556 0.3055556 0.1661620), wk = 0.0036765 k( 213) = ( 0.3194444 0.3194444 0.1452025), wk = 0.0036765 k( 214) = ( 0.3333333 0.3333333 0.1242430), wk = 0.0036765 k( 215) = ( 0.3472222 0.3472222 0.1032836), wk = 0.0036765 k( 216) = ( 0.3611111 0.3611111 0.0823241), wk = 0.0036765 k( 217) = ( 0.3750000 0.3750000 0.0613646), wk = 0.0036765 k( 218) = ( 0.3888889 0.3888889 0.0404051), wk = 0.0036765 k( 219) = ( 0.4027778 0.4027778 0.0194456), wk = 0.0036765 k( 220) = ( 0.4166667 0.4166667 -0.0015139), wk = 0.0036765 k( 221) = ( 0.4305556 0.4305556 -0.0224734), wk = 0.0036765 k( 222) = ( 0.4444444 0.4444444 -0.0434329), wk = 0.0036765 k( 223) = ( 0.4583333 0.4583333 -0.0643924), wk = 0.0036765 k( 224) = ( 0.4722222 0.4722222 -0.0853519), wk = 0.0036765 k( 225) = ( 0.4861111 0.4861111 -0.1063114), wk = 0.0036765 k( 226) = ( 0.5000000 0.5000000 -0.1272709), wk = 0.0036765 k( 227) = ( 0.5000000 0.5000000 -0.1272709), wk = 0.0036765 k( 228) = ( 0.5000000 0.5000000 -0.1396952), wk = 0.0036765 k( 229) = ( 0.5000000 0.5000000 -0.1521195), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 -0.1645438), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 -0.1769681), wk = 0.0036765 k( 232) = ( 0.5000000 0.5000000 -0.1893924), wk = 0.0036765 k( 233) = ( 0.5000000 0.5000000 -0.2018167), wk = 0.0036765 k( 234) = ( 0.5000000 0.5000000 -0.2142410), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.2266653), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 -0.2390896), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.2515139), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 -0.2639382), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 -0.2763625), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 -0.2887868), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 -0.3012111), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 -0.3136354), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 -0.3260597), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 -0.3384840), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 -0.3509083), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 -0.3633327), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 -0.3757570), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 -0.3881813), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 -0.4006056), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 -0.4130299), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 -0.4254542), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 -0.4378785), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.4503028), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 -0.4627271), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 -0.4751514), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 -0.4875757), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 258) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 259) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0036765 k( 260) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0036765 k( 261) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0036765 k( 262) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0036765 k( 263) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0036765 k( 264) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0036765 k( 265) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036765 k( 266) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0036765 k( 267) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0036765 k( 268) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0036765 k( 269) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0036765 k( 270) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0036765 k( 271) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 176697 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 46973 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 262, 62) NL pseudopotentials 0.22 Mb ( 131, 110) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3681) G-vector shells 0.01 Mb ( 1691) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 262, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.21 Mb ( 110, 2, 62) The potential is recalculated from file : ./Hg2GeSe4.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.9 secs Computing kpt #: 2 total cpu time spent up to now is 51.2 secs Computing kpt #: 3 total cpu time spent up to now is 56.5 secs Computing kpt #: 4 total cpu time spent up to now is 62.0 secs Computing kpt #: 5 total cpu time spent up to now is 67.3 secs Computing kpt #: 6 total cpu time spent up to now is 72.9 secs Computing kpt #: 7 total cpu time spent up to now is 78.2 secs Computing kpt #: 8 total cpu time spent up to now is 83.8 secs Computing kpt #: 9 total cpu time spent up to now is 89.0 secs Computing kpt #: 10 total cpu time spent up to now is 94.4 secs Computing kpt #: 11 total cpu time spent up to now is 99.9 secs Computing kpt #: 12 total cpu time spent up to now is 105.2 secs Computing kpt #: 13 total cpu time spent up to now is 110.6 secs Computing kpt #: 14 total cpu time spent up to now is 115.9 secs Computing kpt #: 15 total cpu time spent up to now is 121.3 secs Computing kpt #: 16 total cpu time spent up to now is 126.8 secs Computing kpt #: 17 total cpu time spent up to now is 132.7 secs Computing kpt #: 18 total cpu time spent up to now is 139.3 secs Computing kpt #: 19 total cpu time spent up to now is 145.0 secs Computing kpt #: 20 total cpu time spent up to now is 150.6 secs Computing kpt #: 21 total cpu time spent up to now is 156.4 secs Computing kpt #: 22 total cpu time spent up to now is 162.2 secs Computing kpt #: 23 total cpu time spent up to now is 168.0 secs Computing kpt #: 24 total cpu time spent up to now is 174.2 secs Computing kpt #: 25 total cpu time spent up to now is 180.2 secs Computing kpt #: 26 total cpu time spent up to now is 185.6 secs Computing kpt #: 27 total cpu time spent up to now is 191.3 secs Computing kpt #: 28 total cpu time spent up to now is 197.0 secs Computing kpt #: 29 total cpu time spent up to now is 202.4 secs Computing kpt #: 30 total cpu time spent up to now is 207.9 secs Computing kpt #: 31 total cpu time spent up to now is 213.6 secs Computing kpt #: 32 total cpu time spent up to now is 219.4 secs Computing kpt #: 33 total cpu time spent up to now is 225.0 secs Computing kpt #: 34 total cpu time spent up to now is 230.9 secs Computing kpt #: 35 total cpu time spent up to now is 237.6 secs Computing kpt #: 36 total cpu time spent up to now is 244.8 secs Computing kpt #: 37 total cpu time spent up to now is 250.3 secs Computing kpt #: 38 total cpu time spent up to now is 255.7 secs Computing kpt #: 39 total cpu time spent up to now is 261.1 secs Computing kpt #: 40 total cpu time spent up to now is 266.4 secs Computing kpt #: 41 total cpu time spent up to now is 271.7 secs Computing kpt #: 42 total cpu time spent up to now is 277.0 secs Computing kpt #: 43 total cpu time spent up to now is 282.5 secs Computing kpt #: 44 total cpu time spent up to now is 287.9 secs Computing kpt #: 45 total cpu time spent up to now is 293.3 secs Computing kpt #: 46 total cpu time spent up to now is 298.7 secs Computing kpt #: 47 total cpu time spent up to now is 304.2 secs Computing kpt #: 48 total cpu time spent up to now is 309.7 secs Computing kpt #: 49 total cpu time spent up to now is 315.3 secs Computing kpt #: 50 total cpu time spent up to now is 320.8 secs Computing kpt #: 51 total cpu time spent up to now is 326.4 secs Computing kpt #: 52 total cpu time spent up to now is 331.9 secs Computing kpt #: 53 total cpu time spent up to now is 337.4 secs Computing kpt #: 54 total cpu time spent up to now is 342.8 secs Computing kpt #: 55 total cpu time spent up to now is 348.2 secs Computing kpt #: 56 total cpu time spent up to now is 353.6 secs Computing kpt #: 57 total cpu time spent up to now is 358.8 secs Computing kpt #: 58 total cpu time spent up to now is 364.2 secs Computing kpt #: 59 total cpu time spent up to now is 369.5 secs Computing kpt #: 60 total cpu time spent up to now is 374.8 secs Computing kpt #: 61 total cpu time spent up to now is 380.1 secs Computing kpt #: 62 total cpu time spent up to now is 385.5 secs Computing kpt #: 63 total cpu time spent up to now is 390.9 secs Computing kpt #: 64 total cpu time spent up to now is 396.2 secs Computing kpt #: 65 total cpu time spent up to now is 401.7 secs Computing kpt #: 66 total cpu time spent up to now is 407.1 secs Computing kpt #: 67 total cpu time spent up to now is 412.6 secs Computing kpt #: 68 total cpu time spent up to now is 418.1 secs Computing kpt #: 69 total cpu time spent up to now is 423.6 secs Computing kpt #: 70 total cpu time spent up to now is 429.1 secs Computing kpt #: 71 total cpu time spent up to now is 434.5 secs Computing kpt #: 72 total cpu time spent up to now is 440.0 secs Computing kpt #: 73 total cpu time spent up to now is 445.6 secs Computing kpt #: 74 total cpu time spent up to now is 451.5 secs Computing kpt #: 75 total cpu time spent up to now is 456.8 secs Computing kpt #: 76 total cpu time spent up to now is 462.5 secs Computing kpt #: 77 total cpu time spent up to now is 468.0 secs Computing kpt #: 78 total cpu time spent up to now is 473.3 secs Computing kpt #: 79 total cpu time spent up to now is 478.7 secs Computing kpt #: 80 total cpu time spent up to now is 484.0 secs Computing kpt #: 81 total cpu time spent up to now is 489.6 secs Computing kpt #: 82 total cpu time spent up to now is 495.3 secs Computing kpt #: 83 total cpu time spent up to now is 500.7 secs Computing kpt #: 84 total cpu time spent up to now is 506.1 secs Computing kpt #: 85 total cpu time spent up to now is 512.5 secs Computing kpt #: 86 total cpu time spent up to now is 518.4 secs Computing kpt #: 87 total cpu time spent up to now is 524.3 secs Computing kpt #: 88 total cpu time spent up to now is 530.1 secs Computing kpt #: 89 total cpu time spent up to now is 537.1 secs Computing kpt #: 90 total cpu time spent up to now is 543.3 secs Computing kpt #: 91 total cpu time spent up to now is 548.7 secs Computing kpt #: 92 total cpu time spent up to now is 554.2 secs Computing kpt #: 93 total cpu time spent up to now is 559.5 secs Computing kpt #: 94 total cpu time spent up to now is 565.9 secs Computing kpt #: 95 total cpu time spent up to now is 571.2 secs Computing kpt #: 96 total cpu time spent up to now is 576.6 secs Computing kpt #: 97 total cpu time spent up to now is 582.3 secs Computing kpt #: 98 total cpu time spent up to now is 587.7 secs Computing kpt #: 99 total cpu time spent up to now is 593.1 secs Computing kpt #: 100 total cpu time spent up to now is 598.5 secs Computing kpt #: 101 total cpu time spent up to now is 604.0 secs Computing kpt #: 102 total cpu time spent up to now is 609.5 secs Computing kpt #: 103 total cpu time spent up to now is 615.0 secs Computing kpt #: 104 total cpu time spent up to now is 620.4 secs Computing kpt #: 105 total cpu time spent up to now is 625.8 secs Computing kpt #: 106 total cpu time spent up to now is 631.1 secs Computing kpt #: 107 total cpu time spent up to now is 636.5 secs Computing kpt #: 108 total cpu time spent up to now is 641.7 secs Computing kpt #: 109 total cpu time spent up to now is 647.1 secs Computing kpt #: 110 total cpu time spent up to now is 652.3 secs Computing kpt #: 111 total cpu time spent up to now is 657.5 secs Computing kpt #: 112 total cpu time spent up to now is 662.8 secs Computing kpt #: 113 total cpu time spent up to now is 668.2 secs Computing kpt #: 114 total cpu time spent up to now is 673.4 secs Computing kpt #: 115 total cpu time spent up to now is 678.8 secs Computing kpt #: 116 total cpu time spent up to now is 684.3 secs Computing kpt #: 117 total cpu time spent up to now is 689.7 secs Computing kpt #: 118 total cpu time spent up to now is 695.1 secs Computing kpt #: 119 total cpu time spent up to now is 700.8 secs Computing kpt #: 120 total cpu time spent up to now is 706.4 secs Computing kpt #: 121 total cpu time spent up to now is 711.7 secs Computing kpt #: 122 total cpu time spent up to now is 717.2 secs Computing kpt #: 123 total cpu time spent up to now is 722.4 secs Computing kpt #: 124 total cpu time spent up to now is 727.8 secs Computing kpt #: 125 total cpu time spent up to now is 733.5 secs Computing kpt #: 126 total cpu time spent up to now is 738.8 secs Computing kpt #: 127 total cpu time spent up to now is 744.0 secs Computing kpt #: 128 total cpu time spent up to now is 749.3 secs Computing kpt #: 129 total cpu time spent up to now is 754.5 secs Computing kpt #: 130 total cpu time spent up to now is 760.1 secs Computing kpt #: 131 total cpu time spent up to now is 765.3 secs Computing kpt #: 132 total cpu time spent up to now is 770.6 secs Computing kpt #: 133 total cpu time spent up to now is 776.5 secs Computing kpt #: 134 total cpu time spent up to now is 781.7 secs Computing kpt #: 135 total cpu time spent up to now is 787.1 secs Computing kpt #: 136 total cpu time spent up to now is 792.3 secs Computing kpt #: 137 total cpu time spent up to now is 797.4 secs Computing kpt #: 138 total cpu time spent up to now is 803.5 secs Computing kpt #: 139 total cpu time spent up to now is 808.6 secs Computing kpt #: 140 total cpu time spent up to now is 813.8 secs Computing kpt #: 141 total cpu time spent up to now is 819.0 secs Computing kpt #: 142 total cpu time spent up to now is 824.9 secs Computing kpt #: 143 total cpu time spent up to now is 830.1 secs Computing kpt #: 144 total cpu time spent up to now is 836.4 secs Computing kpt #: 145 total cpu time spent up to now is 844.3 secs Computing kpt #: 146 total cpu time spent up to now is 850.7 secs Computing kpt #: 147 total cpu time spent up to now is 856.0 secs Computing kpt #: 148 total cpu time spent up to now is 861.3 secs Computing kpt #: 149 total cpu time spent up to now is 866.6 secs Computing kpt #: 150 total cpu time spent up to now is 872.2 secs Computing kpt #: 151 total cpu time spent up to now is 878.1 secs Computing kpt #: 152 total cpu time spent up to now is 883.4 secs Computing kpt #: 153 total cpu time spent up to now is 888.7 secs Computing kpt #: 154 total cpu time spent up to now is 894.1 secs Computing kpt #: 155 total cpu time spent up to now is 899.5 secs Computing kpt #: 156 total cpu time spent up to now is 904.9 secs Computing kpt #: 157 total cpu time spent up to now is 910.4 secs Computing kpt #: 158 total cpu time spent up to now is 915.9 secs Computing kpt #: 159 total cpu time spent up to now is 921.5 secs Computing kpt #: 160 total cpu time spent up to now is 926.8 secs Computing kpt #: 161 total cpu time spent up to now is 932.4 secs Computing kpt #: 162 total cpu time spent up to now is 937.9 secs Computing kpt #: 163 total cpu time spent up to now is 943.4 secs Computing kpt #: 164 total cpu time spent up to now is 949.1 secs Computing kpt #: 165 total cpu time spent up to now is 954.6 secs Computing kpt #: 166 total cpu time spent up to now is 960.1 secs Computing kpt #: 167 total cpu time spent up to now is 965.5 secs Computing kpt #: 168 total cpu time spent up to now is 971.2 secs Computing kpt #: 169 total cpu time spent up to now is 976.5 secs Computing kpt #: 170 total cpu time spent up to now is 981.9 secs Computing kpt #: 171 total cpu time spent up to now is 987.7 secs Computing kpt #: 172 total cpu time spent up to now is 993.1 secs Computing kpt #: 173 total cpu time spent up to now is 998.7 secs Computing kpt #: 174 total cpu time spent up to now is 1004.9 secs Computing kpt #: 175 total cpu time spent up to now is 1010.8 secs Computing kpt #: 176 total cpu time spent up to now is 1016.8 secs Computing kpt #: 177 total cpu time spent up to now is 1022.9 secs Computing kpt #: 178 total cpu time spent up to now is 1028.8 secs Computing kpt #: 179 total cpu time spent up to now is 1034.7 secs Computing kpt #: 180 total cpu time spent up to now is 1040.7 secs Computing kpt #: 181 total cpu time spent up to now is 1047.2 secs Computing kpt #: 182 total cpu time spent up to now is 1053.1 secs Computing kpt #: 183 total cpu time spent up to now is 1059.8 secs Computing kpt #: 184 total cpu time spent up to now is 1065.6 secs Computing kpt #: 185 total cpu time spent up to now is 1071.3 secs Computing kpt #: 186 total cpu time spent up to now is 1076.9 secs Computing kpt #: 187 total cpu time spent up to now is 1082.4 secs Computing kpt #: 188 total cpu time spent up to now is 1087.7 secs Computing kpt #: 189 total cpu time spent up to now is 1093.1 secs Computing kpt #: 190 total cpu time spent up to now is 1098.5 secs Computing kpt #: 191 total cpu time spent up to now is 1103.8 secs Computing kpt #: 192 total cpu time spent up to now is 1109.3 secs Computing kpt #: 193 total cpu time spent up to now is 1114.6 secs Computing kpt #: 194 total cpu time spent up to now is 1120.1 secs Computing kpt #: 195 total cpu time spent up to now is 1125.4 secs Computing kpt #: 196 total cpu time spent up to now is 1130.7 secs Computing kpt #: 197 total cpu time spent up to now is 1137.1 secs Computing kpt #: 198 total cpu time spent up to now is 1144.0 secs Computing kpt #: 199 total cpu time spent up to now is 1149.5 secs Computing kpt #: 200 total cpu time spent up to now is 1155.0 secs Computing kpt #: 201 total cpu time spent up to now is 1160.4 secs Computing kpt #: 202 total cpu time spent up to now is 1165.9 secs Computing kpt #: 203 total cpu time spent up to now is 1171.3 secs Computing kpt #: 204 total cpu time spent up to now is 1176.8 secs Computing kpt #: 205 total cpu time spent up to now is 1182.2 secs Computing kpt #: 206 total cpu time spent up to now is 1187.5 secs Computing kpt #: 207 total cpu time spent up to now is 1193.0 secs Computing kpt #: 208 total cpu time spent up to now is 1198.4 secs Computing kpt #: 209 total cpu time spent up to now is 1203.8 secs Computing kpt #: 210 total cpu time spent up to now is 1209.2 secs Computing kpt #: 211 total cpu time spent up to now is 1214.5 secs Computing kpt #: 212 total cpu time spent up to now is 1219.9 secs Computing kpt #: 213 total cpu time spent up to now is 1225.4 secs Computing kpt #: 214 total cpu time spent up to now is 1231.0 secs Computing kpt #: 215 total cpu time spent up to now is 1236.4 secs Computing kpt #: 216 total cpu time spent up to now is 1241.9 secs Computing kpt #: 217 total cpu time spent up to now is 1247.2 secs Computing kpt #: 218 total cpu time spent up to now is 1252.6 secs Computing kpt #: 219 total cpu time spent up to now is 1258.0 secs Computing kpt #: 220 total cpu time spent up to now is 1263.5 secs Computing kpt #: 221 total cpu time spent up to now is 1268.9 secs Computing kpt #: 222 total cpu time spent up to now is 1274.3 secs Computing kpt #: 223 total cpu time spent up to now is 1279.7 secs Computing kpt #: 224 total cpu time spent up to now is 1285.1 secs Computing kpt #: 225 total cpu time spent up to now is 1290.6 secs Computing kpt #: 226 total cpu time spent up to now is 1296.1 secs Computing kpt #: 227 total cpu time spent up to now is 1301.6 secs Computing kpt #: 228 total cpu time spent up to now is 1306.9 secs Computing kpt #: 229 total cpu time spent up to now is 1312.2 secs Computing kpt #: 230 total cpu time spent up to now is 1317.5 secs Computing kpt #: 231 total cpu time spent up to now is 1322.7 secs Computing kpt #: 232 total cpu time spent up to now is 1327.9 secs Computing kpt #: 233 total cpu time spent up to now is 1333.1 secs Computing kpt #: 234 total cpu time spent up to now is 1338.2 secs Computing kpt #: 235 total cpu time spent up to now is 1343.4 secs Computing kpt #: 236 total cpu time spent up to now is 1348.5 secs Computing kpt #: 237 total cpu time spent up to now is 1353.7 secs Computing kpt #: 238 total cpu time spent up to now is 1358.7 secs Computing kpt #: 239 total cpu time spent up to now is 1363.9 secs Computing kpt #: 240 total cpu time spent up to now is 1369.0 secs Computing kpt #: 241 total cpu time spent up to now is 1374.1 secs Computing kpt #: 242 total cpu time spent up to now is 1379.2 secs Computing kpt #: 243 total cpu time spent up to now is 1384.4 secs Computing kpt #: 244 total cpu time spent up to now is 1389.6 secs Computing kpt #: 245 total cpu time spent up to now is 1394.7 secs Computing kpt #: 246 total cpu time spent up to now is 1399.8 secs Computing kpt #: 247 total cpu time spent up to now is 1405.2 secs Computing kpt #: 248 total cpu time spent up to now is 1410.7 secs Computing kpt #: 249 total cpu time spent up to now is 1415.9 secs Computing kpt #: 250 total cpu time spent up to now is 1421.2 secs Computing kpt #: 251 total cpu time spent up to now is 1426.5 secs Computing kpt #: 252 total cpu time spent up to now is 1432.4 secs Computing kpt #: 253 total cpu time spent up to now is 1439.5 secs Computing kpt #: 254 total cpu time spent up to now is 1445.7 secs Computing kpt #: 255 total cpu time spent up to now is 1451.0 secs Computing kpt #: 256 total cpu time spent up to now is 1456.2 secs Computing kpt #: 257 total cpu time spent up to now is 1461.4 secs Computing kpt #: 258 total cpu time spent up to now is 1466.8 secs Computing kpt #: 259 total cpu time spent up to now is 1472.2 secs Computing kpt #: 260 total cpu time spent up to now is 1477.6 secs Computing kpt #: 261 total cpu time spent up to now is 1483.0 secs Computing kpt #: 262 total cpu time spent up to now is 1488.3 secs Computing kpt #: 263 total cpu time spent up to now is 1493.7 secs Computing kpt #: 264 total cpu time spent up to now is 1499.1 secs Computing kpt #: 265 total cpu time spent up to now is 1504.5 secs Computing kpt #: 266 total cpu time spent up to now is 1509.9 secs Computing kpt #: 267 total cpu time spent up to now is 1515.5 secs Computing kpt #: 268 total cpu time spent up to now is 1521.0 secs Computing kpt #: 269 total cpu time spent up to now is 1526.4 secs Computing kpt #: 270 total cpu time spent up to now is 1531.7 secs Computing kpt #: 271 total cpu time spent up to now is 1537.2 secs Computing kpt #: 272 total cpu time spent up to now is 1542.6 secs ethr = 1.92E-11, avg # of iterations = 38.2 total cpu time spent up to now is 1542.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5871 PWs) bands (ev): -7.9372 -7.9372 -6.5054 -6.5054 -6.3643 -6.3643 -6.3497 -6.3497 -2.2004 -2.2004 -1.4884 -1.4884 -1.4004 -1.4004 -1.2642 -1.2642 -1.1498 -1.1498 -0.0294 -0.0294 0.1846 0.1846 0.3120 0.3120 0.4553 0.4553 0.4702 0.4702 0.5453 0.5453 1.3310 1.3310 2.0240 2.0240 2.4677 2.4677 2.5443 2.5443 2.5498 2.5498 3.8385 3.8385 4.1954 4.1954 4.2923 4.2923 5.7619 5.7619 6.0527 6.0527 6.1099 6.1099 6.5584 6.5584 8.1099 8.1099 8.5914 8.5914 9.2903 9.2903 10.2825 10.2825 k = 0.0000 0.0000 0.0215 ( 5879 PWs) bands (ev): -7.9365 -7.9365 -6.5057 -6.5051 -6.3649 -6.3647 -6.3503 -6.3503 -2.2030 -2.1971 -1.4911 -1.4856 -1.4051 -1.3954 -1.2663 -1.2620 -1.1572 -1.1418 -0.0344 -0.0240 0.1799 0.1889 0.2985 0.3249 0.4515 0.4559 0.4704 0.4739 0.5434 0.5480 1.3279 1.3347 2.0151 2.0235 2.4443 2.4850 2.5213 2.5460 2.5618 2.5764 3.8267 3.8472 4.1823 4.2082 4.2908 4.2960 5.7531 5.7600 6.0414 6.0479 6.0958 6.0993 6.5796 6.5816 8.1112 8.1178 8.5901 8.6022 9.2854 9.2896 10.2810 10.2862 k = 0.0000 0.0000 0.0430 ( 5867 PWs) bands (ev): -7.9346 -7.9345 -6.5061 -6.5048 -6.3666 -6.3663 -6.3520 -6.3519 -2.2049 -2.1932 -1.4938 -1.4829 -1.4096 -1.3904 -1.2684 -1.2598 -1.1640 -1.1333 -0.0390 -0.0182 0.1747 0.1927 0.2852 0.3364 0.4467 0.4538 0.4734 0.4800 0.5428 0.5517 1.3257 1.3390 1.9981 2.0134 2.4201 2.4718 2.5309 2.5547 2.5823 2.6083 3.8128 3.8518 4.1684 4.2178 4.2909 4.3061 5.7332 5.7455 6.0089 6.0156 6.0732 6.0852 6.6361 6.6398 8.1211 8.1348 8.5982 8.6226 9.2752 9.2835 10.2818 10.2917 k = 0.0000 0.0000 0.0646 ( 5863 PWs) bands (ev): -7.9315 -7.9312 -6.5064 -6.5045 -6.3695 -6.3690 -6.3547 -6.3546 -2.2061 -2.1886 -1.4964 -1.4802 -1.4138 -1.3853 -1.2705 -1.2575 -1.1702 -1.1244 -0.0433 -0.0121 0.1693 0.1958 0.2726 0.3454 0.4426 0.4510 0.4772 0.4872 0.5436 0.5561 1.3243 1.3435 1.9749 1.9947 2.3960 2.4449 2.5585 2.5721 2.6083 2.6402 3.7979 3.8521 4.1514 4.2200 4.2961 4.3260 5.6997 5.7144 5.9555 5.9661 6.0566 6.0794 6.7125 6.7177 8.1382 8.1598 8.6164 8.6534 9.2601 9.2722 10.2849 10.2987 k = 0.0000 0.0000 0.0861 ( 5863 PWs) bands (ev): -7.9270 -7.9266 -6.5067 -6.5042 -6.3736 -6.3729 -6.3584 -6.3583 -2.2065 -2.1835 -1.4989 -1.4777 -1.4175 -1.3802 -1.2725 -1.2552 -1.1756 -1.1152 -0.0471 -0.0057 0.1636 0.1980 0.2611 0.3513 0.4398 0.4480 0.4810 0.4946 0.5461 0.5614 1.3238 1.3480 1.9472 1.9692 2.3729 2.4182 2.5903 2.5947 2.6387 2.6723 3.7828 3.8487 4.1304 4.2133 4.3107 4.3551 5.6491 5.6626 5.8994 5.9186 6.0430 6.0751 6.7988 6.8055 8.1606 8.1909 8.6455 8.6951 9.2406 9.2562 10.2901 10.3068 k = 0.0000 0.0000 0.1076 ( 5875 PWs) bands (ev): -7.9213 -7.9208 -6.5070 -6.5040 -6.3789 -6.3780 -6.3629 -6.3626 -2.2062 -2.1778 -1.5011 -1.4754 -1.4209 -1.3753 -1.2745 -1.2528 -1.1803 -1.1059 -0.0504 0.0011 0.1578 0.1992 0.2513 0.3534 0.4385 0.4452 0.4843 0.5021 0.5503 0.5678 1.3240 1.3522 1.9163 1.9385 2.3515 2.3937 2.6109 2.6322 2.6702 2.7070 3.7682 3.8422 4.1065 4.1999 4.3354 4.3911 5.5806 5.5909 5.8495 5.8791 6.0299 6.0700 6.8897 6.8978 8.1863 8.2258 8.6866 8.7482 9.2174 9.2362 10.2970 10.3156 k = 0.0000 0.0000 0.1291 ( 5876 PWs) bands (ev): -7.9143 -7.9137 -6.5074 -6.5039 -6.3856 -6.3844 -6.3681 -6.3676 -2.2051 -2.1717 -1.5030 -1.4733 -1.4237 -1.3706 -1.2764 -1.2503 -1.1842 -1.0965 -0.0534 0.0082 0.1520 0.1990 0.2434 0.3521 0.4377 0.4434 0.4870 0.5094 0.5555 0.5756 1.3247 1.3555 1.8834 1.9044 2.3327 2.3724 2.6261 2.6757 2.6981 2.7478 3.7544 3.8331 4.0822 4.1837 4.3680 4.4320 5.4971 5.5052 5.8060 5.8453 6.0170 6.0637 6.9825 6.9916 8.2137 8.2622 8.7407 8.8126 9.1912 9.2129 10.3054 10.3248 k = 0.0000 0.0000 0.1507 ( 5872 PWs) bands (ev): -7.9061 -7.9055 -6.5079 -6.5038 -6.3934 -6.3920 -6.3738 -6.3732 -2.2033 -2.1651 -1.5046 -1.4714 -1.4259 -1.3661 -1.2783 -1.2477 -1.1874 -1.0874 -0.0559 0.0155 0.1463 0.1971 0.2376 0.3481 0.4358 0.4438 0.4889 0.5164 0.5611 0.5852 1.3258 1.3576 1.8491 1.8682 2.3172 2.3550 2.6362 2.7127 2.7302 2.7951 3.7417 3.8221 4.0606 4.1677 4.4068 4.4763 5.4038 5.4109 5.7657 5.8127 6.0044 6.0563 7.0753 7.0852 8.2416 8.2981 8.8078 8.8878 9.1627 9.1873 10.3148 10.3344 k = 0.0000 0.0000 0.1722 ( 5876 PWs) bands (ev): -7.8968 -7.8960 -6.5086 -6.5040 -6.4024 -6.4008 -6.3801 -6.3793 -2.2008 -2.1581 -1.5058 -1.4698 -1.4277 -1.3618 -1.2800 -1.2451 -1.1897 -1.0785 -0.0579 0.0231 0.1409 0.1937 0.2340 0.3422 0.4329 0.4456 0.4901 0.5232 0.5664 0.5961 1.3267 1.3578 1.8134 1.8310 2.3057 2.3420 2.6410 2.7283 2.7808 2.8473 3.7303 3.8098 4.0440 4.1544 4.4500 4.5233 5.3050 5.3118 5.7257 5.7786 5.9922 6.0480 7.1671 7.1773 8.2693 8.3324 8.8868 8.9721 9.1326 9.1606 10.3249 10.3445 k = 0.0000 0.0000 0.1937 ( 5872 PWs) bands (ev): -7.8863 -7.8854 -6.5094 -6.5044 -6.4123 -6.4107 -6.3869 -6.3860 -2.1975 -2.1508 -1.5067 -1.4685 -1.4288 -1.3580 -1.2817 -1.2426 -1.1911 -1.0701 -0.0595 0.0309 0.1358 0.1891 0.2319 0.3352 0.4296 0.4480 0.4909 0.5298 0.5712 0.6076 1.3269 1.3557 1.7765 1.7940 2.2989 2.3341 2.6401 2.7356 2.8365 2.9030 3.7205 3.7970 4.0340 4.1453 4.4966 4.5721 5.2037 5.2101 5.6843 5.7412 5.9804 6.0388 7.2570 7.2670 8.2965 8.3648 8.9738 9.0621 9.1022 9.1366 10.3352 10.3554 k = 0.0000 0.0000 0.2152 ( 5864 PWs) bands (ev): -7.8747 -7.8737 -6.5104 -6.5052 -6.4229 -6.4214 -6.3941 -6.3931 -2.1935 -2.1432 -1.5071 -1.4673 -1.4295 -1.3545 -1.2832 -1.2402 -1.1915 -1.0623 -0.0606 0.0388 0.1312 0.1841 0.2306 0.3277 0.4262 0.4504 0.4915 0.5361 0.5755 0.6189 1.3259 1.3507 1.7382 1.7579 2.2971 2.3318 2.6339 2.7364 2.8950 2.9613 3.7130 3.7850 4.0313 4.1415 4.5456 4.6222 5.1016 5.1076 5.6403 5.7001 5.9691 6.0289 7.3442 7.3536 8.3232 8.3952 9.0447 9.0719 9.1243 9.1693 10.3456 10.3676 k = 0.0000 0.0000 0.2367 ( 5866 PWs) bands (ev): -7.8621 -7.8609 -6.5119 -6.5065 -6.4340 -6.4327 -6.4018 -6.4007 -2.1888 -2.1354 -1.5072 -1.4665 -1.4297 -1.3514 -1.2846 -1.2380 -1.1908 -1.0552 -0.0612 0.0467 0.1269 0.1791 0.2297 0.3198 0.4225 0.4529 0.4920 0.5420 0.5794 0.6294 1.3228 1.3426 1.6988 1.7228 2.3007 2.3354 2.6230 2.7314 2.9556 3.0217 3.7084 3.7753 4.0353 4.1432 4.5964 4.6729 4.9998 5.0064 5.5933 5.6549 5.9580 6.0185 7.4283 7.4365 8.3494 8.4241 9.0311 9.0515 9.2038 9.2683 10.3561 10.3813 k = 0.0000 0.0000 0.2583 ( 5872 PWs) bands (ev): -7.8484 -7.8471 -6.5140 -6.5086 -6.4453 -6.4443 -6.4099 -6.4087 -2.1835 -2.1273 -1.5068 -1.4657 -1.4294 -1.3487 -1.2857 -1.2363 -1.1889 -1.0489 -0.0614 0.0545 0.1232 0.1745 0.2288 0.3120 0.4187 0.4553 0.4926 0.5475 0.5830 0.6385 1.3168 1.3312 1.6587 1.6883 2.3094 2.3448 2.6089 2.7219 3.0178 3.0836 3.7074 3.7692 4.0451 4.1500 4.6482 4.7224 4.8989 4.9098 5.5431 5.6058 5.9471 6.0074 7.5087 7.5152 8.3751 8.4514 8.9988 9.0231 9.3108 9.3712 10.3673 10.3967 k = 0.0000 0.0000 0.2798 ( 5880 PWs) bands (ev): -7.8339 -7.8324 -6.5169 -6.5118 -6.4565 -6.4556 -6.4183 -6.4171 -2.1776 -2.1191 -1.5061 -1.4650 -1.4288 -1.3466 -1.2865 -1.2351 -1.1858 -1.0436 -0.0611 0.0619 0.1200 0.1704 0.2276 0.3044 0.4147 0.4575 0.4934 0.5524 0.5863 0.6460 1.3071 1.3168 1.6183 1.6540 2.3227 2.3597 2.5937 2.7096 3.0807 3.1461 3.7106 3.7677 4.0591 4.1613 4.7004 4.7575 4.8013 4.8313 5.4896 5.5531 5.9362 5.9959 7.5851 7.5895 8.4002 8.4773 8.9651 8.9915 9.4228 9.4736 10.3796 10.4140 k = 0.0000 0.0000 0.3013 ( 5872 PWs) bands (ev): -7.8184 -7.8167 -6.5212 -6.5166 -6.4674 -6.4655 -6.4271 -6.4259 -2.1712 -2.1108 -1.5051 -1.4644 -1.4280 -1.3449 -1.2870 -1.2343 -1.1815 -1.0393 -0.0604 0.0686 0.1176 0.1671 0.2262 0.2972 0.4105 0.4596 0.4944 0.5566 0.5895 0.6516 1.2922 1.3006 1.5778 1.6196 2.3389 2.3785 2.5809 2.6972 3.1435 3.2085 3.7185 3.7711 4.0754 4.1756 4.6984 4.7144 4.7552 4.8437 5.4331 5.4972 5.9250 5.9838 7.6571 7.6591 8.4243 8.5015 8.9305 8.9585 9.5349 9.5730 10.3936 10.4333 k = 0.0000 0.0000 0.3228 ( 5878 PWs) bands (ev): -7.8022 -7.8003 -6.5275 -6.5234 -6.4774 -6.4738 -6.4362 -6.4349 -2.1642 -2.1024 -1.5039 -1.4637 -1.4270 -1.3436 -1.2871 -1.2339 -1.1761 -1.0360 -0.0593 0.0738 0.1165 0.1648 0.2243 0.2906 0.4061 0.4615 0.4957 0.5597 0.5927 0.6554 1.2721 1.2826 1.5373 1.5844 2.3554 2.3983 2.5756 2.6883 3.2049 3.2695 3.7312 3.7798 4.0914 4.1914 4.6108 4.6387 4.8067 4.8914 5.3738 5.4385 5.9135 5.9712 7.7237 7.7247 8.4471 8.5238 8.8950 8.9244 9.6444 9.6673 10.4095 10.4546 k = 0.0000 0.0000 0.3443 ( 5886 PWs) bands (ev): -7.7852 -7.7831 -6.5360 -6.5323 -6.4856 -6.4804 -6.4455 -6.4442 -2.1567 -2.0939 -1.5024 -1.4630 -1.4258 -1.3429 -1.2869 -1.2338 -1.1699 -1.0338 -0.0579 0.0769 0.1173 0.1634 0.2219 0.2848 0.4015 0.4632 0.4973 0.5616 0.5960 0.6574 1.2485 1.2617 1.4968 1.5482 2.3688 2.4144 2.5841 2.6874 3.2630 3.3272 3.7490 3.7938 4.1036 4.2059 4.5306 4.5740 4.8583 4.9417 5.3122 5.3777 5.9016 5.9581 7.7837 7.7874 8.4680 8.5437 8.8584 8.8888 9.7488 9.7549 10.4273 10.4775 k = 0.0000 0.0000 0.3659 ( 5878 PWs) bands (ev): -7.7676 -7.7653 -6.5468 -6.5429 -6.4921 -6.4855 -6.4549 -6.4537 -2.1488 -2.0854 -1.5008 -1.4621 -1.4246 -1.3426 -1.2864 -1.2338 -1.1628 -1.0326 -0.0561 0.0772 0.1205 0.1631 0.2190 0.2798 0.3966 0.4647 0.4993 0.5622 0.5994 0.6577 1.2223 1.2372 1.4565 1.5108 2.3763 2.4229 2.6108 2.6987 3.3156 3.3791 3.7721 3.8133 4.1077 4.2150 4.4657 4.5269 4.9086 4.9918 5.2489 5.3158 5.8891 5.9443 7.8388 7.8454 8.4861 8.5606 8.8204 8.8515 9.8340 9.8468 10.4464 10.5014 k = 0.0000 0.0000 0.3874 ( 5878 PWs) bands (ev): -7.7494 -7.7469 -6.5590 -6.5550 -6.4973 -6.4898 -6.4643 -6.4632 -2.1405 -2.0769 -1.4992 -1.4611 -1.4233 -1.3427 -1.2855 -1.2340 -1.1552 -1.0323 -0.0540 0.0751 0.1256 0.1637 0.2157 0.2757 0.3915 0.4660 0.5014 0.5614 0.6028 0.6565 1.1943 1.2096 1.4167 1.4719 2.3780 2.4244 2.6540 2.7246 3.3591 3.4215 3.8010 3.8387 4.1012 4.2120 4.4256 4.5012 4.9565 5.0401 5.1853 5.2541 5.8761 5.9299 7.8893 7.8985 8.5003 8.5741 8.7806 8.8119 9.9050 9.9364 10.4657 10.5242 k = 0.0000 0.0000 0.4089 ( 5870 PWs) bands (ev): -7.7308 -7.7281 -6.5721 -6.5680 -6.5016 -6.4936 -6.4738 -6.4728 -2.1319 -2.0684 -1.4975 -1.4599 -1.4220 -1.3432 -1.2844 -1.2340 -1.1472 -1.0330 -0.0517 0.0715 0.1320 0.1653 0.2120 0.2725 0.3861 0.4672 0.5038 0.5593 0.6058 0.6538 1.1642 1.1797 1.3777 1.4318 2.3767 2.4215 2.7094 2.7646 3.3896 3.4503 3.8355 3.8704 4.0863 4.1953 4.4159 4.4962 4.9995 5.0783 5.1305 5.1958 5.8624 5.9149 7.9352 7.9469 8.5092 8.5834 8.7391 8.7697 9.9678 10.0173 10.4837 10.5436 k = 0.0000 0.0000 0.4304 ( 5874 PWs) bands (ev): -7.7117 -7.7089 -6.5856 -6.5815 -6.5056 -6.4976 -6.4831 -6.4821 -2.1231 -2.0600 -1.4959 -1.4587 -1.4207 -1.3441 -1.2832 -1.2340 -1.1389 -1.0345 -0.0491 0.0669 0.1389 0.1676 0.2080 0.2703 0.3805 0.4682 0.5062 0.5559 0.6083 0.6498 1.1313 1.1494 1.3400 1.3907 2.3755 2.4172 2.7734 2.8162 3.4033 3.4617 3.8744 3.9085 4.0699 4.1758 4.4295 4.5074 5.0255 5.0471 5.1459 5.1523 5.8481 5.8992 7.9766 7.9904 8.5109 8.5881 8.6963 8.7245 10.0237 10.0899 10.4992 10.5580 k = 0.0000 0.0000 0.4520 ( 5880 PWs) bands (ev): -7.6925 -7.6894 -6.5991 -6.5950 -6.5095 -6.5024 -6.4923 -6.4905 -2.1139 -2.0516 -1.4943 -1.4574 -1.4195 -1.3453 -1.2819 -1.2337 -1.1305 -1.0366 -0.0464 0.0619 0.1460 0.1705 0.2038 0.2690 0.3748 0.4691 0.5085 0.5512 0.6097 0.6447 1.0949 1.1202 1.3040 1.3490 2.3764 2.4137 2.8432 2.8771 3.3981 3.4536 3.9148 3.9516 4.0596 4.1673 4.4559 4.5293 4.9811 5.0195 5.1468 5.1910 5.8330 5.8828 8.0133 8.0290 8.5028 8.5874 8.6528 8.6771 10.0743 10.1552 10.5121 10.5686 k = 0.0000 0.0000 0.4735 ( 5892 PWs) bands (ev): -7.6731 -7.6698 -6.6124 -6.6084 -6.5138 -6.5085 -6.5013 -6.4974 -2.1047 -2.0434 -1.4928 -1.4561 -1.4182 -1.3468 -1.2807 -1.2331 -1.1222 -1.0391 -0.0434 0.0568 0.1530 0.1739 0.1997 0.2686 0.3688 0.4698 0.5106 0.5452 0.6098 0.6385 1.0558 1.0927 1.2701 1.3075 2.3805 2.4127 2.9167 2.9451 3.3748 3.4269 3.9524 3.9937 4.0633 4.1770 4.4881 4.5574 4.9223 4.9771 5.1761 5.2354 5.8173 5.8657 8.0451 8.0625 8.4824 8.5806 8.6080 8.6308 10.1212 10.2144 10.5231 10.5771 k = 0.0000 0.0000 0.4950 ( 5884 PWs) bands (ev): -7.6537 -7.6502 -6.6252 -6.6215 -6.5190 -6.5159 -6.5096 -6.5029 -2.0953 -2.0353 -1.4914 -1.4549 -1.4170 -1.3485 -1.2795 -1.2321 -1.1142 -1.0419 -0.0403 0.0518 0.1597 0.1773 0.1960 0.2691 0.3627 0.4704 0.5124 0.5379 0.6081 0.6313 1.0152 1.0671 1.2385 1.2668 2.3884 2.4151 2.9920 3.0186 3.3366 3.3847 3.9846 4.0215 4.0925 4.2053 4.5218 4.5880 4.8696 4.9324 5.2136 5.2790 5.8009 5.8479 8.0708 8.0900 8.4490 8.5543 8.5701 8.5922 10.1661 10.2692 10.5333 10.5850 k = 0.0000 0.0000 0.5165 ( 5888 PWs) bands (ev): -7.6343 -7.6307 -6.6376 -6.6340 -6.5259 -6.5238 -6.5164 -6.5076 -2.0858 -2.0274 -1.4901 -1.4538 -1.4158 -1.3506 -1.2784 -1.2308 -1.1068 -1.0446 -0.0370 0.0472 0.1655 0.1804 0.1935 0.2705 0.3565 0.4709 0.5135 0.5293 0.6042 0.6232 0.9746 1.0436 1.2093 1.2278 2.4001 2.4216 3.0674 3.0956 3.2879 3.3317 4.0109 4.0360 4.1415 4.2471 4.5521 4.6166 4.8296 4.8972 5.2521 5.3214 5.7838 5.8295 8.0884 8.1100 8.4064 8.4998 8.5475 8.5612 10.2104 10.3208 10.5433 10.5932 k = 0.0000 0.0000 0.5380 ( 5896 PWs) bands (ev): -7.6152 -7.6115 -6.6493 -6.6458 -6.5340 -6.5321 -6.5218 -6.5123 -2.0763 -2.0197 -1.4889 -1.4529 -1.4147 -1.3529 -1.2774 -1.2293 -1.1003 -1.0468 -0.0336 0.0431 0.1692 0.1830 0.1933 0.2727 0.3502 0.4711 0.5136 0.5193 0.5979 0.6139 0.9353 1.0225 1.1819 1.1919 2.4155 2.4326 3.1396 3.1733 3.2344 3.2731 4.0309 4.0476 4.1962 4.2959 4.5728 4.6368 4.8118 4.8800 5.2896 5.3626 5.7662 5.8105 8.0934 8.1189 8.3627 8.4452 8.5178 8.5325 10.2550 10.3701 10.5539 10.6020 k = 0.0000 0.0000 0.5596 ( 5892 PWs) bands (ev): -7.5965 -7.5926 -6.6602 -6.6569 -6.5423 -6.5404 -6.5267 -6.5171 -2.0668 -2.0123 -1.4878 -1.4522 -1.4136 -1.3554 -1.2766 -1.2276 -1.0950 -1.0481 -0.0301 0.0397 0.1692 0.1866 0.1954 0.2758 0.3439 0.4709 0.5074 0.5130 0.5891 0.6034 0.8986 1.0040 1.1528 1.1631 2.4343 2.4482 3.1618 3.1966 3.2356 3.2540 4.0422 4.0592 4.2510 4.3468 4.5793 4.6446 4.8236 4.8871 5.3254 5.4024 5.7481 5.7909 8.0791 8.1109 8.3279 8.3976 8.4836 8.5006 10.3006 10.4177 10.5653 10.6116 k = 0.0000 0.0000 0.5811 ( 5894 PWs) bands (ev): -7.5783 -7.5743 -6.6702 -6.6671 -6.5504 -6.5487 -6.5315 -6.5220 -2.0574 -2.0052 -1.4867 -1.4517 -1.4126 -1.3581 -1.2758 -1.2258 -1.0912 -1.0480 -0.0264 0.0372 0.1663 0.1913 0.1988 0.2797 0.3377 0.4698 0.4948 0.5100 0.5782 0.5917 0.8658 0.9878 1.1230 1.1412 2.4561 2.4684 3.1063 3.1382 3.2953 3.3257 4.0452 4.0682 4.3044 4.3968 4.5766 4.6451 4.8600 4.9177 5.3593 5.4410 5.7296 5.7710 8.0403 8.0800 8.3082 8.3627 8.4472 8.4646 10.3478 10.4635 10.5774 10.6220 k = 0.0000 0.0000 0.6026 ( 5872 PWs) bands (ev): -7.5607 -7.5567 -6.6793 -6.6764 -6.5583 -6.5566 -6.5364 -6.5272 -2.0481 -1.9984 -1.4857 -1.4516 -1.4116 -1.3610 -1.2751 -1.2243 -1.0889 -1.0466 -0.0225 0.0357 0.1620 0.1960 0.2029 0.2843 0.3315 0.4658 0.4828 0.5047 0.5659 0.5793 0.8379 0.9737 1.0962 1.1229 2.4808 2.4928 3.0468 3.0747 3.3575 3.3921 4.0421 4.0717 4.3563 4.4450 4.5748 4.6462 4.9110 4.9650 5.3911 5.4785 5.7110 5.7509 7.9807 8.0261 8.2984 8.3378 8.4126 8.4277 10.3965 10.5064 10.5902 10.6331 k = 0.0000 0.0000 0.6241 ( 5882 PWs) bands (ev): -7.5439 -7.5399 -6.6874 -6.6846 -6.5658 -6.5642 -6.5413 -6.5325 -2.0390 -1.9921 -1.4847 -1.4519 -1.4107 -1.3640 -1.2743 -1.2233 -1.0875 -1.0442 -0.0184 0.0354 0.1569 0.1998 0.2077 0.2893 0.3255 0.4539 0.4761 0.4960 0.5528 0.5672 0.8154 0.9609 1.0737 1.1075 2.5082 2.5206 2.9887 3.0132 3.4109 3.4478 4.0358 4.0705 4.4074 4.4917 4.5800 4.6524 4.9693 5.0223 5.4206 5.5148 5.6927 5.7308 7.9078 7.9556 8.2826 8.3111 8.3854 8.4015 10.4467 10.5450 10.6034 10.6445 k = 0.0000 0.0000 0.6456 ( 5886 PWs) bands (ev): -7.5280 -7.5240 -6.6944 -6.6919 -6.5729 -6.5713 -6.5463 -6.5380 -2.0301 -1.9863 -1.4838 -1.4525 -1.4099 -1.3670 -1.2733 -1.2228 -1.0864 -1.0414 -0.0140 0.0364 0.1512 0.2028 0.2129 0.2944 0.3198 0.4358 0.4729 0.4839 0.5395 0.5567 0.7985 0.9484 1.0562 1.0948 2.5381 2.5505 2.9337 2.9559 3.4507 3.4884 4.0307 4.0684 4.4583 4.5371 4.5941 4.6647 5.0304 5.0850 5.4478 5.5497 5.6754 5.7114 7.8280 7.8754 8.2462 8.2729 8.3731 8.3944 10.4977 10.5774 10.6168 10.6554 k = 0.0000 0.0000 0.6672 ( 5878 PWs) bands (ev): -7.5131 -7.5093 -6.7005 -6.6981 -6.5795 -6.5780 -6.5513 -6.5435 -2.0215 -1.9810 -1.4828 -1.4534 -1.4091 -1.3701 -1.2723 -1.2231 -1.0850 -1.0386 -0.0092 0.0387 0.1451 0.2051 0.2178 0.2986 0.3153 0.4154 0.4662 0.4720 0.5269 0.5484 0.7866 0.9353 1.0439 1.0844 2.5693 2.5811 2.8832 2.9054 3.4728 3.5100 4.0317 4.0700 4.5085 4.5774 4.6200 4.6833 5.0910 5.1493 5.4724 5.5820 5.6605 5.6936 7.7452 7.7905 8.1954 8.2221 8.3755 8.3974 10.5481 10.6027 10.6300 10.6640 k = 0.0000 0.0000 0.6887 ( 5878 PWs) bands (ev): -7.4994 -7.4958 -6.7055 -6.7033 -6.5857 -6.5842 -6.5561 -6.5490 -2.0133 -1.9763 -1.4819 -1.4547 -1.4082 -1.3731 -1.2710 -1.2242 -1.0829 -1.0362 -0.0039 0.0423 0.1384 0.2065 0.2222 0.2992 0.3143 0.3949 0.4496 0.4667 0.5162 0.5418 0.7792 0.9213 1.0366 1.0763 2.5992 2.6102 2.8392 2.8656 3.4752 3.5110 4.0420 4.0787 4.5558 4.6064 4.6625 4.7090 5.1484 5.2112 5.4941 5.6062 5.6528 5.6803 7.6623 7.7046 8.1387 8.1645 8.3841 8.4043 10.5946 10.6220 10.6431 10.6687 k = 0.0000 0.0000 0.7102 ( 5884 PWs) bands (ev): -7.4870 -7.4836 -6.7095 -6.7075 -6.5913 -6.5899 -6.5607 -6.5543 -2.0055 -1.9723 -1.4809 -1.4564 -1.4073 -1.3761 -1.2695 -1.2261 -1.0801 -1.0346 0.0021 0.0473 0.1312 0.2065 0.2258 0.2954 0.3170 0.3765 0.4313 0.4601 0.5086 0.5363 0.7754 0.9065 1.0332 1.0700 2.6208 2.6351 2.8065 2.8420 3.4590 3.4931 4.0610 4.0944 4.5958 4.6283 4.7155 4.7438 5.2004 5.2664 5.5119 5.6112 5.6555 5.6824 7.5820 7.6205 8.0800 8.1046 8.3944 8.4123 10.6290 10.6360 10.6587 10.6701 k = 0.0000 0.0000 0.7317 ( 5872 PWs) bands (ev): -7.4759 -7.4729 -6.7126 -6.7108 -6.5963 -6.5950 -6.5650 -6.5594 -1.9981 -1.9691 -1.4799 -1.4583 -1.4062 -1.3791 -1.2677 -1.2287 -1.0764 -1.0337 0.0087 0.0536 0.1234 0.2041 0.2287 0.2901 0.3196 0.3631 0.4132 0.4515 0.5041 0.5314 0.7748 0.8915 1.0328 1.0652 2.6273 2.6473 2.7950 2.8402 3.4279 3.4607 4.0856 4.1149 4.6257 4.6472 4.7730 4.7889 5.2449 5.3103 5.5245 5.6048 5.6593 5.7053 7.5064 7.5408 8.0220 8.0451 8.4047 8.4202 10.6430 10.6481 10.6695 10.6748 k = 0.0000 0.0000 0.7533 ( 5864 PWs) bands (ev): -7.4664 -7.4638 -6.7149 -6.7133 -6.6007 -6.5995 -6.5688 -6.5640 -1.9913 -1.9666 -1.4788 -1.4604 -1.4049 -1.3820 -1.2656 -1.2319 -1.0721 -1.0338 0.0162 0.0612 0.1152 0.1978 0.2315 0.2844 0.3198 0.3575 0.3960 0.4416 0.5020 0.5269 0.7767 0.8765 1.0344 1.0616 2.6199 2.6401 2.8114 2.8593 3.3864 3.4185 4.1121 4.1367 4.6466 4.6630 4.8318 4.8414 5.2799 5.3391 5.5321 5.5965 5.6728 5.7323 7.4380 7.4679 7.9672 7.9884 8.4144 8.4273 10.6455 10.6595 10.6682 10.6838 k = 0.0000 0.0000 0.7748 ( 5864 PWs) bands (ev): -7.4584 -7.4562 -6.7165 -6.7151 -6.6045 -6.6034 -6.5720 -6.5682 -1.9852 -1.9651 -1.4776 -1.4626 -1.4035 -1.3848 -1.2632 -1.2355 -1.0673 -1.0348 0.0245 0.0699 0.1067 0.1871 0.2346 0.2785 0.3186 0.3589 0.3803 0.4310 0.5016 0.5228 0.7807 0.8621 1.0370 1.0588 2.6057 2.6219 2.8465 2.8921 3.3388 3.3704 4.1373 4.1571 4.6619 4.6752 4.8892 4.8960 5.3039 5.3518 5.5374 5.5892 5.6962 5.7569 7.3790 7.4039 7.9182 7.9368 8.4229 8.4333 10.6454 10.6625 10.6716 10.6886 k = 0.0000 0.0000 0.7963 ( 5872 PWs) bands (ev): -7.4521 -7.4504 -6.7175 -6.7164 -6.6074 -6.6065 -6.5745 -6.5716 -1.9797 -1.9644 -1.4763 -1.4649 -1.4018 -1.3876 -1.2606 -1.2393 -1.0621 -1.0367 0.0336 0.0786 0.0991 0.1729 0.2385 0.2725 0.3190 0.3629 0.3676 0.4203 0.5024 0.5188 0.7865 0.8483 1.0402 1.0565 2.5911 2.6028 2.8898 2.9311 3.2892 3.3198 4.1592 4.1740 4.6733 4.6837 4.9420 4.9477 5.3167 5.3511 5.5432 5.5836 5.7241 5.7763 7.3315 7.3510 7.8774 7.8925 8.4300 8.4378 10.6447 10.6589 10.6788 10.6917 k = 0.0000 0.0000 0.8178 ( 5872 PWs) bands (ev): -7.4474 -7.4462 -6.7180 -6.7173 -6.6096 -6.6089 -6.5762 -6.5743 -1.9750 -1.9647 -1.4748 -1.4671 -1.3999 -1.3903 -1.2576 -1.2432 -1.0570 -1.0395 0.0432 0.0807 0.0992 0.1568 0.2430 0.2663 0.3218 0.3533 0.3723 0.4097 0.5040 0.5152 0.7938 0.8353 1.0435 1.0543 2.5795 2.5870 2.9350 2.9698 3.2427 3.2704 4.1763 4.1861 4.6818 4.6889 4.9863 4.9911 5.3206 5.3422 5.5505 5.5788 5.7509 5.7885 7.2974 7.3108 7.8471 7.8579 8.4356 8.4408 10.6446 10.6545 10.6849 10.6934 k = 0.0000 0.0000 0.8393 ( 5872 PWs) bands (ev): -7.4445 -7.4439 -6.7182 -6.7178 -6.6108 -6.6105 -6.5771 -6.5761 -1.9711 -1.9659 -1.4732 -1.4693 -1.3977 -1.3929 -1.2543 -1.2471 -1.0519 -1.0430 0.0532 0.0731 0.1102 0.1404 0.2482 0.2600 0.3269 0.3429 0.3807 0.3995 0.5061 0.5118 0.8024 0.8233 1.0467 1.0521 2.5727 2.5764 2.9762 2.9986 3.2085 3.2274 4.1878 4.1927 4.6875 4.6911 5.0172 5.0202 5.3207 5.3312 5.5588 5.5734 5.7727 5.7922 7.2778 7.2847 7.8293 7.8350 8.4395 8.4421 10.6454 10.6506 10.6895 10.6936 k = 0.0000 0.0000 0.8609 ( 5876 PWs) bands (ev): -7.4433 -7.4433 -6.7181 -6.7181 -6.6111 -6.6111 -6.5771 -6.5771 -1.9680 -1.9680 -1.4713 -1.4713 -1.3954 -1.3954 -1.2508 -1.2508 -1.0472 -1.0472 0.0634 0.0634 0.1245 0.1245 0.2539 0.2539 0.3340 0.3340 0.3898 0.3898 0.5088 0.5088 0.8123 0.8123 1.0495 1.0495 2.5716 2.5716 3.0021 3.0021 3.2021 3.2021 4.1933 4.1933 4.6907 4.6907 5.0295 5.0295 5.3233 5.3233 5.5667 5.5667 5.7868 5.7868 7.2736 7.2736 7.8252 7.8252 8.4417 8.4417 10.6474 10.6474 10.6924 10.6924 k = 0.0000 0.0000 0.8609 ( 5876 PWs) bands (ev): -7.4433 -7.4433 -6.7181 -6.7181 -6.6111 -6.6111 -6.5771 -6.5771 -1.9680 -1.9680 -1.4713 -1.4713 -1.3954 -1.3954 -1.2508 -1.2508 -1.0472 -1.0472 0.0634 0.0634 0.1245 0.1245 0.2539 0.2539 0.3340 0.3340 0.3898 0.3898 0.5088 0.5088 0.8123 0.8123 1.0495 1.0495 2.5716 2.5716 3.0021 3.0021 3.2021 3.2021 4.1933 4.1933 4.6907 4.6907 5.0295 5.0295 5.3233 5.3233 5.5667 5.5667 5.7868 5.7868 7.2736 7.2736 7.8252 7.8252 8.4417 8.4417 10.6474 10.6474 10.6924 10.6924 k =-0.0127 0.0178 0.8609 ( 5872 PWs) bands (ev): -7.4436 -7.4432 -6.7185 -6.7182 -6.6114 -6.6104 -6.5773 -6.5768 -1.9719 -1.9654 -1.4721 -1.4704 -1.4000 -1.3903 -1.2534 -1.2490 -1.0542 -1.0384 0.0580 0.0685 0.1191 0.1310 0.2428 0.2647 0.3254 0.3435 0.3846 0.3966 0.5052 0.5131 0.7981 0.8288 1.0417 1.0587 2.5711 2.5729 3.0006 3.0041 3.1968 3.2077 4.1831 4.1963 4.6750 4.7035 5.0194 5.0380 5.3083 5.3246 5.5496 5.5860 5.7768 5.7962 7.2728 7.2782 7.8277 7.8300 8.4428 8.4493 10.6408 10.6488 10.6881 10.6916 k =-0.0255 0.0357 0.8609 ( 5876 PWs) bands (ev): -7.4441 -7.4434 -6.7195 -6.7189 -6.6113 -6.6093 -6.5775 -6.5766 -1.9771 -1.9641 -1.4729 -1.4695 -1.4039 -1.3848 -1.2565 -1.2481 -1.0594 -1.0280 0.0527 0.0729 0.1152 0.1377 0.2321 0.2750 0.3174 0.3529 0.3819 0.4047 0.5025 0.5178 0.7864 0.8474 1.0352 1.0691 2.5716 2.5752 2.9995 3.0066 3.1917 3.2135 4.1659 4.1917 4.6572 4.7128 5.0080 5.0444 5.2820 5.3111 5.5365 5.6048 5.7662 5.8046 7.2759 7.2867 7.8374 7.8420 8.4522 8.4656 10.6276 10.6400 10.6803 10.6902 k =-0.0382 0.0535 0.8609 ( 5886 PWs) bands (ev): -7.4448 -7.4438 -6.7211 -6.7203 -6.6106 -6.6077 -6.5777 -6.5763 -1.9833 -1.9641 -1.4735 -1.4685 -1.4072 -1.3791 -1.2600 -1.2483 -1.0629 -1.0160 0.0480 0.0758 0.1135 0.1440 0.2225 0.2846 0.3101 0.3594 0.3849 0.4140 0.5011 0.5226 0.7775 0.8680 1.0301 1.0809 2.5730 2.5784 2.9989 3.0095 3.1870 3.2194 4.1424 4.1795 4.6380 4.7181 4.9957 5.0487 5.2464 5.2844 5.5272 5.6210 5.7551 5.8115 7.2833 7.2989 7.8542 7.8606 8.4691 8.4899 10.6039 10.6163 10.6733 10.6935 k =-0.0509 0.0714 0.8609 ( 5890 PWs) bands (ev): -7.4458 -7.4445 -6.7232 -6.7223 -6.6095 -6.6057 -6.5777 -6.5758 -1.9905 -1.9654 -1.4741 -1.4674 -1.4098 -1.3734 -1.2635 -1.2493 -1.0647 -1.0028 0.0439 0.0771 0.1140 0.1489 0.2146 0.2933 0.3035 0.3609 0.3952 0.4245 0.5011 0.5271 0.7717 0.8903 1.0264 1.0941 2.5752 2.5824 2.9988 3.0129 3.1825 3.2253 4.1133 4.1600 4.6182 4.7192 4.9828 5.0507 5.2036 5.2473 5.5197 5.6330 5.7437 5.8165 7.2953 7.3152 7.8774 7.8853 8.4923 8.5213 10.5680 10.5800 10.6684 10.7000 k =-0.0636 0.0892 0.8609 ( 5896 PWs) bands (ev): -7.4471 -7.4454 -6.7261 -6.7250 -6.6078 -6.6032 -6.5775 -6.5752 -1.9985 -1.9678 -1.4745 -1.4664 -1.4119 -1.3681 -1.2668 -1.2513 -1.0650 -0.9886 0.0407 0.0769 0.1163 0.1511 0.2096 0.2964 0.3026 0.3600 0.4095 0.4366 0.5029 0.5311 0.7692 0.9142 1.0241 1.1086 2.5782 2.5873 2.9992 3.0166 3.1781 3.2309 4.0794 4.1338 4.5982 4.7158 4.9695 5.0503 5.1554 5.2033 5.5120 5.6401 5.7317 5.8190 7.3120 7.3357 7.9064 7.9152 8.5203 8.5584 10.5211 10.5351 10.6641 10.7069 k =-0.0764 0.1070 0.8609 ( 5892 PWs) bands (ev): -7.4487 -7.4467 -6.7297 -6.7286 -6.6054 -6.6003 -6.5770 -6.5744 -2.0072 -1.9713 -1.4749 -1.4653 -1.4134 -1.3633 -1.2696 -1.2540 -1.0642 -0.9738 0.0385 0.0760 0.1192 0.1502 0.2078 0.2915 0.3101 0.3587 0.4240 0.4506 0.5073 0.5344 0.7704 0.9395 1.0236 1.1245 2.5818 2.5929 3.0000 3.0206 3.1739 3.2361 4.0417 4.1019 4.5782 4.7080 4.9557 5.0477 5.1035 5.1549 5.5030 5.6420 5.7192 5.8187 7.3335 7.3604 7.9404 7.9497 8.5513 8.5995 10.4655 10.4839 10.6583 10.7122 k =-0.0891 0.1249 0.8609 ( 5886 PWs) bands (ev): -7.4506 -7.4484 -6.7340 -6.7330 -6.6025 -6.5968 -6.5761 -6.5731 -2.0163 -1.9756 -1.4751 -1.4642 -1.4144 -1.3594 -1.2718 -1.2572 -1.0624 -0.9587 0.0374 0.0747 0.1216 0.1472 0.2085 0.2873 0.3177 0.3573 0.4361 0.4673 0.5148 0.5373 0.7753 0.9661 1.0250 1.1418 2.5859 2.5991 3.0013 3.0250 3.1698 3.2405 4.0013 4.0656 4.5585 4.6959 4.9409 5.0409 5.0520 5.1041 5.4919 5.6387 5.7061 5.8154 7.3600 7.3894 7.9785 7.9877 8.5835 8.6425 10.4035 10.4281 10.6492 10.7133 k =-0.1018 0.1427 0.8609 ( 5890 PWs) bands (ev): -7.4529 -7.4504 -6.7392 -6.7382 -6.5989 -6.5928 -6.5746 -6.5713 -2.0257 -1.9808 -1.4752 -1.4632 -1.4151 -1.3566 -1.2732 -1.2608 -1.0600 -0.9435 0.0375 0.0733 0.1220 0.1443 0.2101 0.2844 0.3253 0.3562 0.4445 0.4857 0.5256 0.5407 0.7841 0.9936 1.0287 1.1603 2.5902 2.6059 3.0030 3.0295 3.1654 3.2436 3.9596 4.0263 4.5389 4.6795 4.9235 4.9961 5.0376 5.0531 5.4786 5.6307 5.6920 5.8091 7.3912 7.4226 8.0198 8.0284 8.6151 8.6853 10.3370 10.3686 10.6351 10.7080 k =-0.1145 0.1605 0.8609 ( 5878 PWs) bands (ev): -7.4556 -7.4529 -6.7453 -6.7442 -6.5947 -6.5885 -6.5723 -6.5689 -2.0353 -1.9865 -1.4752 -1.4621 -1.4155 -1.3549 -1.2740 -1.2645 -1.0571 -0.9288 0.0385 0.0720 0.1192 0.1433 0.2116 0.2831 0.3327 0.3551 0.4496 0.5027 0.5392 0.5470 0.7972 1.0204 1.0366 1.1800 2.5947 2.6131 3.0051 3.0341 3.1609 3.2452 3.9180 3.9855 4.5194 4.6588 4.8982 4.9508 5.0024 5.0306 5.4631 5.6184 5.6767 5.7996 7.4269 7.4597 8.0634 8.0708 8.6443 8.7259 10.2678 10.3069 10.6144 10.6937 k =-0.1273 0.1784 0.8609 ( 5874 PWs) bands (ev): -7.4587 -7.4558 -6.7521 -6.7510 -6.5901 -6.5838 -6.5691 -6.5657 -2.0448 -1.9927 -1.4752 -1.4610 -1.4156 -1.3543 -1.2745 -1.2677 -1.0541 -0.9147 0.0404 0.0707 0.1141 0.1442 0.2123 0.2835 0.3401 0.3541 0.4522 0.5135 0.5541 0.5605 0.8147 1.0384 1.0568 1.2007 2.5989 2.6205 3.0074 3.0388 3.1559 3.2445 3.8778 3.9448 4.4997 4.6337 4.8595 4.9168 4.9585 5.0214 5.4455 5.6028 5.6599 5.7873 7.4666 7.5005 8.1084 8.1140 8.6696 8.7619 10.1972 10.2439 10.5858 10.6680 k =-0.1273 0.1784 0.8609 ( 5874 PWs) bands (ev): -7.4587 -7.4558 -6.7521 -6.7510 -6.5901 -6.5838 -6.5691 -6.5657 -2.0448 -1.9927 -1.4752 -1.4610 -1.4156 -1.3543 -1.2745 -1.2677 -1.0541 -0.9147 0.0404 0.0707 0.1141 0.1442 0.2123 0.2835 0.3401 0.3541 0.4522 0.5135 0.5541 0.5605 0.8147 1.0384 1.0568 1.2007 2.5989 2.6205 3.0074 3.0388 3.1559 3.2445 3.8778 3.9448 4.4997 4.6337 4.8595 4.9168 4.9585 5.0214 5.4455 5.6028 5.6599 5.7873 7.4666 7.5005 8.1084 8.1140 8.6696 8.7619 10.1972 10.2439 10.5858 10.6680 k =-0.1361 0.1908 0.8456 ( 5870 PWs) bands (ev): -7.4614 -7.4587 -6.7558 -6.7547 -6.5926 -6.5858 -6.5622 -6.5580 -2.0513 -1.9980 -1.4760 -1.4594 -1.4132 -1.3566 -1.2792 -1.2665 -1.0517 -0.9021 0.0433 0.0704 0.1160 0.1416 0.2114 0.2816 0.3429 0.3551 0.4521 0.5181 0.5677 0.5784 0.8315 1.0455 1.0704 1.2065 2.6057 2.6277 3.0292 3.0600 3.1352 3.2237 3.8511 3.9177 4.4749 4.6037 4.8380 4.8822 4.9592 5.0216 5.4254 5.5743 5.6493 5.7862 7.4981 7.5314 8.1357 8.1400 8.6870 8.7852 10.1443 10.1881 10.5717 10.6547 k =-0.1450 0.2033 0.8303 ( 5872 PWs) bands (ev): -7.4648 -7.4623 -6.7598 -6.7585 -6.5952 -6.5881 -6.5539 -6.5491 -2.0579 -2.0037 -1.4769 -1.4579 -1.4100 -1.3600 -1.2837 -1.2647 -1.0491 -0.8908 0.0455 0.0694 0.1175 0.1418 0.2095 0.2810 0.3439 0.3576 0.4518 0.5213 0.5818 0.5989 0.8505 1.0514 1.0886 1.2125 2.6143 2.6372 3.0373 3.0749 3.1274 3.2081 3.8247 3.8906 4.4456 4.5673 4.8181 4.8496 4.9542 5.0195 5.4076 5.5449 5.6340 5.7798 7.5370 7.5701 8.1641 8.1720 8.7031 8.8064 10.0893 10.1294 10.5568 10.6383 k =-0.1539 0.2157 0.8150 ( 5864 PWs) bands (ev): -7.4688 -7.4665 -6.7640 -6.7626 -6.5978 -6.5907 -6.5444 -6.5391 -2.0646 -2.0098 -1.4776 -1.4565 -1.4061 -1.3643 -1.2879 -1.2626 -1.0464 -0.8808 0.0471 0.0681 0.1182 0.1445 0.2070 0.2812 0.3441 0.3610 0.4514 0.5237 0.5951 0.6210 0.8722 1.0597 1.1084 1.2189 2.6242 2.6485 3.0281 3.0821 3.1339 3.1996 3.7990 3.8637 4.4130 4.5265 4.7985 4.8210 4.9426 5.0136 5.3933 5.5157 5.6144 5.7685 7.5823 7.6156 8.1940 8.2074 8.7184 8.8264 10.0323 10.0681 10.5414 10.6195 k =-0.1628 0.2281 0.7997 ( 5864 PWs) bands (ev): -7.4732 -7.4711 -6.7685 -6.7668 -6.6004 -6.5932 -6.5341 -6.5283 -2.0711 -2.0163 -1.4783 -1.4552 -1.4015 -1.3692 -1.2918 -1.2602 -1.0437 -0.8724 0.0476 0.0669 0.1181 0.1494 0.2047 0.2819 0.3440 0.3646 0.4512 0.5257 0.6064 0.6436 0.8970 1.0719 1.1291 1.2261 2.6349 2.6611 3.0100 3.0796 3.1473 3.1981 3.7747 3.8374 4.3784 4.4837 4.7759 4.7983 4.9247 5.0034 5.3827 5.4877 5.5910 5.7529 7.6332 7.6671 8.2245 8.2442 8.7338 8.8458 9.9733 10.0046 10.5259 10.5997 k =-0.1716 0.2406 0.7845 ( 5856 PWs) bands (ev): -7.4781 -7.4761 -6.7731 -6.7712 -6.6030 -6.5958 -6.5232 -6.5169 -2.0776 -2.0229 -1.4789 -1.4541 -1.3963 -1.3745 -1.2956 -1.2576 -1.0409 -0.8654 0.0470 0.0663 0.1171 0.1558 0.2029 0.2827 0.3438 0.3685 0.4513 0.5275 0.6150 0.6657 0.9254 1.0890 1.1501 1.2343 2.6459 2.6746 2.9895 3.0690 3.1613 3.2004 3.7521 3.8120 4.3437 4.4410 4.7505 4.7796 4.9019 4.9888 5.3758 5.4618 5.5648 5.7337 7.6886 7.7236 8.2545 8.2805 8.7504 8.8657 9.9126 9.9397 10.5108 10.5797 k =-0.1805 0.2530 0.7692 ( 5856 PWs) bands (ev): -7.4831 -7.4814 -6.7779 -6.7757 -6.6055 -6.5983 -6.5118 -6.5052 -2.0838 -2.0297 -1.4794 -1.4532 -1.3909 -1.3797 -1.2991 -1.2550 -1.0382 -0.8601 0.0453 0.0666 0.1154 0.1632 0.2020 0.2833 0.3435 0.3727 0.4517 0.5292 0.6208 0.6861 0.9577 1.1115 1.1712 1.2436 2.6565 2.6882 2.9689 3.0537 3.1730 3.2027 3.7313 3.7873 4.3104 4.4003 4.7243 4.7614 4.8756 4.9701 5.3720 5.4385 5.5368 5.7115 7.7477 7.7839 8.2823 8.3144 8.7697 8.8872 9.8507 9.8743 10.4964 10.5606 k =-0.1894 0.2654 0.7539 ( 5852 PWs) bands (ev): -7.4884 -7.4868 -6.7826 -6.7802 -6.6079 -6.6007 -6.5002 -6.4932 -2.0898 -2.0366 -1.4799 -1.4523 -1.3888 -1.3811 -1.3026 -1.2524 -1.0354 -0.8563 0.0427 0.0675 0.1131 0.1710 0.2022 0.2836 0.3432 0.3773 0.4524 0.5307 0.6239 0.7037 0.9940 1.1397 1.1922 1.2544 2.6660 2.7012 2.9490 3.0356 3.1813 3.2029 3.7124 3.7634 4.2800 4.3630 4.6983 4.7418 4.8472 4.9476 5.3704 5.4182 5.5081 5.6875 7.8091 7.8470 8.3068 8.3437 8.7933 8.9115 9.7883 9.8095 10.4829 10.5429 k =-0.1983 0.2779 0.7386 ( 5851 PWs) bands (ev): -7.4936 -7.4922 -6.7873 -6.7847 -6.6102 -6.6030 -6.4885 -6.4812 -2.0955 -2.0434 -1.4803 -1.4516 -1.3934 -1.3756 -1.3058 -1.2499 -1.0326 -0.8541 0.0398 0.0684 0.1105 0.1789 0.2035 0.2836 0.3428 0.3824 0.4535 0.5322 0.6247 0.7179 1.0339 1.1732 1.2131 1.2667 2.6739 2.7128 2.9302 3.0155 3.1857 3.2006 3.6950 3.7403 4.2537 4.3305 4.6725 4.7203 4.8179 4.9217 5.3701 5.4012 5.4799 5.6624 7.8720 7.9117 8.3270 8.3666 8.8227 8.9394 9.7262 9.7462 10.4703 10.5269 k =-0.2071 0.2903 0.7233 ( 5855 PWs) bands (ev): -7.4989 -7.4976 -6.7920 -6.7891 -6.6123 -6.6053 -6.4770 -6.4694 -2.1009 -2.0500 -1.4806 -1.4510 -1.3989 -1.3687 -1.3089 -1.2474 -1.0298 -0.8534 0.0368 0.0689 0.1081 0.1865 0.2060 0.2832 0.3424 0.3876 0.4550 0.5336 0.6238 0.7286 1.0770 1.2105 1.2347 1.2812 2.6792 2.7220 2.9128 2.9935 3.1865 3.1958 3.6791 3.7182 4.2320 4.3034 4.6472 4.6968 4.7883 4.8930 5.3692 5.3882 5.4536 5.6372 7.9352 7.9768 8.3424 8.3819 8.8585 8.9714 9.6655 9.6853 10.4587 10.5127 k =-0.2160 0.3028 0.7081 ( 5855 PWs) bands (ev): -7.5040 -7.5028 -6.7965 -6.7935 -6.6144 -6.6074 -6.4657 -6.4579 -2.1059 -2.0564 -1.4809 -1.4504 -1.4045 -1.3615 -1.3118 -1.2451 -1.0271 -0.8541 0.0338 0.0682 0.1067 0.1932 0.2098 0.2825 0.3422 0.3927 0.4568 0.5350 0.6217 0.7357 1.1221 1.2439 1.2627 1.2990 2.6809 2.7278 2.8972 2.9696 3.1842 3.1894 3.6644 3.6976 4.2149 4.2817 4.6227 4.6721 4.7587 4.8620 5.3633 5.3811 5.4313 5.6132 7.9975 8.0413 8.3533 8.3895 8.9006 9.0071 9.6076 9.6273 10.4479 10.5003 k =-0.2249 0.3152 0.6928 ( 5857 PWs) bands (ev): -7.5089 -7.5077 -6.8008 -6.7977 -6.6162 -6.6093 -6.4549 -6.4469 -2.1106 -2.0625 -1.4811 -1.4499 -1.4099 -1.3543 -1.3144 -1.2428 -1.0243 -0.8562 0.0310 0.0662 0.1066 0.1986 0.2148 0.2815 0.3423 0.3975 0.4591 0.5364 0.6190 0.7397 1.1677 1.2656 1.3000 1.3251 2.6780 2.7293 2.8835 2.9439 3.1796 3.1820 3.6508 3.6799 4.2017 4.2649 4.5995 4.6469 4.7294 4.8294 5.3511 5.3788 5.4152 5.5913 8.0577 8.1037 8.3604 8.3903 8.9479 9.0458 9.5535 9.5730 10.4378 10.4894 k =-0.2338 0.3276 0.6775 ( 5856 PWs) bands (ev): -7.5136 -7.5123 -6.8050 -6.8017 -6.6179 -6.6111 -6.4447 -6.4365 -2.1149 -2.0681 -1.4812 -1.4494 -1.4151 -1.3473 -1.3168 -1.2406 -1.0215 -0.8595 0.0283 0.0629 0.1079 0.2027 0.2205 0.2804 0.3428 0.4019 0.4617 0.5378 0.6163 0.7410 1.2110 1.2836 1.3318 1.3672 2.6698 2.7257 2.8710 2.9170 3.1729 3.1755 3.6385 3.6663 4.1913 4.2516 4.5783 4.6219 4.7008 4.7960 5.3348 5.3766 5.4068 5.5728 8.1141 8.1624 8.3657 8.3861 8.9988 9.0863 9.5044 9.5228 10.4282 10.4801 k =-0.2426 0.3401 0.6622 ( 5859 PWs) bands (ev): -7.5179 -7.5166 -6.8088 -6.8054 -6.6193 -6.6126 -6.4351 -6.4268 -2.1189 -2.0733 -1.4813 -1.4490 -1.4200 -1.3409 -1.3185 -1.2383 -1.0188 -0.8639 0.0259 0.0587 0.1103 0.2060 0.2261 0.2792 0.3441 0.4056 0.4644 0.5391 0.6140 0.7400 1.2485 1.2999 1.3652 1.4177 2.6560 2.7166 2.8577 2.8908 3.1646 3.1716 3.6280 3.6577 4.1825 4.2403 4.5596 4.5979 4.6736 4.7625 5.3165 5.3729 5.4047 5.5588 8.1645 8.2150 8.3712 8.3802 9.0512 9.1268 9.4612 9.4775 10.4188 10.4719 k =-0.2515 0.3525 0.6469 ( 5865 PWs) bands (ev): -7.5219 -7.5204 -6.8124 -6.8089 -6.6206 -6.6140 -6.4264 -6.4179 -2.1224 -2.0779 -1.4814 -1.4486 -1.4246 -1.3358 -1.3193 -1.2359 -1.0161 -0.8692 0.0235 0.0541 0.1134 0.2086 0.2313 0.2780 0.3460 0.4087 0.4672 0.5401 0.6124 0.7370 1.2778 1.3152 1.4056 1.4705 2.6371 2.7015 2.8386 2.8697 3.1568 3.1700 3.6206 3.6543 4.1737 4.2289 4.5433 4.5760 4.6490 4.7297 5.2978 5.3668 5.4073 5.5496 8.2052 8.2574 8.3712 8.3870 9.1029 9.1651 9.4251 9.4375 10.4097 10.4649 k =-0.2604 0.3649 0.6317 ( 5869 PWs) bands (ev): -7.5255 -7.5238 -6.8157 -6.8121 -6.6216 -6.6152 -6.4186 -6.4100 -2.1256 -2.0819 -1.4814 -1.4482 -1.4288 -1.3329 -1.3183 -1.2332 -1.0136 -0.8752 0.0212 0.0495 0.1169 0.2106 0.2355 0.2769 0.3488 0.4112 0.4697 0.5407 0.6119 0.7325 1.2997 1.3295 1.4519 1.5234 2.6145 2.6808 2.8127 2.8543 3.1509 3.1710 3.6172 3.6556 4.1637 4.2158 4.5277 4.5586 4.6287 4.6984 5.2800 5.3580 5.4136 5.5452 8.2321 8.2838 8.3738 8.4095 9.1514 9.1985 9.3967 9.4039 10.4011 10.4589 k =-0.2693 0.3774 0.6164 ( 5868 PWs) bands (ev): -7.5286 -7.5267 -6.8187 -6.8150 -6.6224 -6.6161 -6.4119 -6.4031 -2.1284 -2.0852 -1.4813 -1.4479 -1.4327 -1.3323 -1.3155 -1.2301 -1.0113 -0.8818 0.0189 0.0453 0.1206 0.2120 0.2387 0.2759 0.3524 0.4133 0.4720 0.5406 0.6125 0.7269 1.3164 1.3430 1.5006 1.5745 2.5898 2.6553 2.7848 2.8401 3.1477 3.1744 3.6183 3.6611 4.1517 4.1996 4.5094 4.5490 4.6138 4.6694 5.2637 5.3471 5.4225 5.5446 8.2443 8.2916 8.3903 8.4411 9.1943 9.2239 9.3727 9.3818 10.3936 10.4540 k =-0.2781 0.3898 0.6011 ( 5858 PWs) bands (ev): -7.5311 -7.5290 -6.8213 -6.8175 -6.6230 -6.6168 -6.4062 -6.3973 -2.1308 -2.0878 -1.4812 -1.4475 -1.4363 -1.3330 -1.3122 -1.2265 -1.0093 -0.8886 0.0164 0.0418 0.1242 0.2128 0.2409 0.2752 0.3567 0.4150 0.4739 0.5399 0.6138 0.7203 1.3295 1.3558 1.5483 1.6222 2.5649 2.6272 2.7575 2.8246 3.1474 3.1796 3.6242 3.6704 4.1373 4.1800 4.4884 4.5461 4.6054 4.6439 5.2492 5.3351 5.4333 5.5466 8.2463 8.2880 8.4158 8.4757 9.2288 9.2392 9.3512 9.3742 10.3879 10.4500 k =-0.2870 0.4023 0.5858 ( 5850 PWs) bands (ev): -7.5332 -7.5308 -6.8235 -6.8197 -6.6233 -6.6172 -6.4017 -6.3927 -2.1329 -2.0896 -1.4811 -1.4472 -1.4395 -1.3340 -1.3093 -1.2224 -1.0079 -0.8954 0.0138 0.0390 0.1275 0.2131 0.2422 0.2748 0.3615 0.4166 0.4754 0.5386 0.6156 0.7131 1.3400 1.3678 1.5922 1.6643 2.5423 2.5992 2.7319 2.8074 3.1498 3.1857 3.6348 3.6831 4.1205 4.1579 4.4667 4.5454 4.6037 4.6240 5.2368 5.3230 5.4451 5.5501 8.2430 8.2816 8.4425 8.5086 9.2440 9.2535 9.3358 9.3754 10.3848 10.4468 k =-0.2959 0.4147 0.5706 ( 5862 PWs) bands (ev): -7.5346 -7.5320 -6.8253 -6.8215 -6.6234 -6.6174 -6.3983 -6.3893 -2.1345 -2.0907 -1.4809 -1.4469 -1.4424 -1.3351 -1.3072 -1.2177 -1.0074 -0.9017 0.0109 0.0370 0.1304 0.2129 0.2427 0.2747 0.3667 0.4182 0.4767 0.5369 0.6172 0.7057 1.3484 1.3788 1.6293 1.6982 2.5245 2.5748 2.7086 2.7893 3.1538 3.1916 3.6500 3.6985 4.1014 4.1352 4.4455 4.5413 4.6087 4.6131 5.2267 5.3117 5.4571 5.5543 8.2377 8.2759 8.4663 8.5376 9.2436 9.2644 9.3270 9.3805 10.3846 10.4443 k =-0.3048 0.4271 0.5553 ( 5863 PWs) bands (ev): -7.5355 -7.5327 -6.8267 -6.8229 -6.6232 -6.6173 -6.3963 -6.3871 -2.1357 -2.0910 -1.4806 -1.4466 -1.4449 -1.3360 -1.3059 -1.2127 -1.0079 -0.9071 0.0081 0.0358 0.1326 0.2124 0.2425 0.2751 0.3719 0.4199 0.4775 0.5348 0.6179 0.6985 1.3552 1.3885 1.6568 1.7217 2.5138 2.5572 2.6882 2.7710 3.1582 3.1965 3.6693 3.7159 4.0800 4.1149 4.4254 4.5305 4.6127 4.6199 5.2191 5.3020 5.4686 5.5586 8.2322 8.2724 8.4858 8.5615 9.2392 9.2619 9.3250 9.3860 10.3864 10.4422 k =-0.3136 0.4396 0.5400 ( 5869 PWs) bands (ev): -7.5359 -7.5328 -6.8276 -6.8239 -6.6227 -6.6170 -6.3955 -6.3863 -2.1365 -2.0906 -1.4803 -1.4472 -1.4462 -1.3367 -1.3054 -1.2074 -1.0097 -0.9114 0.0053 0.0352 0.1339 0.2120 0.2416 0.2759 0.3770 0.4218 0.4781 0.5325 0.6171 0.6920 1.3603 1.3966 1.6725 1.7328 2.5116 2.5493 2.6720 2.7539 3.1616 3.1994 3.6924 3.7345 4.0570 4.0997 4.4067 4.5150 4.6208 4.6352 5.2142 5.2943 5.4790 5.5627 8.2276 8.2714 8.5004 8.5796 9.2300 9.2474 9.3290 9.3917 10.3882 10.4396 k =-0.3136 0.4396 0.5400 ( 5869 PWs) bands (ev): -7.5359 -7.5328 -6.8276 -6.8239 -6.6227 -6.6170 -6.3955 -6.3863 -2.1365 -2.0906 -1.4803 -1.4472 -1.4462 -1.3367 -1.3054 -1.2074 -1.0097 -0.9114 0.0053 0.0352 0.1339 0.2120 0.2416 0.2759 0.3770 0.4218 0.4781 0.5325 0.6171 0.6920 1.3603 1.3966 1.6725 1.7328 2.5116 2.5493 2.6720 2.7539 3.1616 3.1994 3.6924 3.7345 4.0570 4.0997 4.4067 4.5150 4.6208 4.6352 5.2142 5.2943 5.4790 5.5627 8.2276 8.2714 8.5004 8.5796 9.2300 9.2474 9.3290 9.3917 10.3882 10.4396 k =-0.3047 0.4270 0.5246 ( 5869 PWs) bands (ev): -7.5365 -7.5334 -6.8151 -6.8113 -6.6316 -6.6259 -6.3980 -6.3887 -2.1351 -2.0911 -1.4822 -1.4482 -1.4443 -1.3386 -1.3013 -1.2064 -1.0030 -0.9141 0.0082 0.0351 0.1297 0.2097 0.2431 0.2720 0.3781 0.4337 0.4834 0.5339 0.6215 0.6965 1.3540 1.3935 1.6553 1.7143 2.5219 2.5553 2.6536 2.7443 3.1609 3.2007 3.6394 3.6806 4.0557 4.1034 4.4094 4.5209 4.6254 4.6432 5.2240 5.3028 5.4809 5.5604 8.2356 8.2856 8.5366 8.6127 9.2776 9.2973 9.3525 9.4262 10.4675 10.5239 k =-0.2957 0.4145 0.5091 ( 5867 PWs) bands (ev): -7.5387 -7.5357 -6.8024 -6.7986 -6.6383 -6.6326 -6.4006 -6.3912 -2.1337 -2.0918 -1.4844 -1.4486 -1.4424 -1.3404 -1.2976 -1.2055 -0.9977 -0.9185 0.0098 0.0358 0.1262 0.2047 0.2433 0.2708 0.3796 0.4449 0.4889 0.5352 0.6258 0.6999 1.3489 1.3914 1.6393 1.6964 2.5299 2.5553 2.6407 2.7383 3.1603 3.2021 3.5895 3.6298 4.0525 4.1049 4.4147 4.5290 4.6362 4.6600 5.2310 5.3081 5.4792 5.5543 8.2428 8.2982 8.5723 8.6450 9.3220 9.3423 9.3787 9.4571 10.5317 10.5962 k =-0.2868 0.4019 0.4937 ( 5875 PWs) bands (ev): -7.5428 -7.5398 -6.7896 -6.7859 -6.6425 -6.6368 -6.4031 -6.3936 -2.1323 -2.0927 -1.4868 -1.4485 -1.4404 -1.3421 -1.2942 -1.2047 -0.9939 -0.9242 0.0099 0.0375 0.1238 0.1972 0.2422 0.2719 0.3819 0.4550 0.4949 0.5366 0.6298 0.7024 1.3451 1.3903 1.6245 1.6789 2.5344 2.5483 2.6352 2.7359 3.1590 3.2030 3.5444 3.5833 4.0473 4.1038 4.4233 4.5402 4.6526 4.6840 5.2349 5.3099 5.4742 5.5446 8.2496 8.3093 8.6068 8.6757 9.3605 9.3836 9.4092 9.4828 10.5776 10.6457 k =-0.2778 0.3893 0.4783 ( 5871 PWs) bands (ev): -7.5487 -7.5458 -6.7767 -6.7730 -6.6442 -6.6386 -6.4056 -6.3961 -2.1310 -2.0937 -1.4895 -1.4478 -1.4385 -1.3435 -1.2913 -1.2040 -0.9922 -0.9306 0.0085 0.0397 0.1230 0.1879 0.2401 0.2742 0.3850 0.4633 0.5014 0.5380 0.6334 0.7041 1.3426 1.3903 1.6107 1.6619 2.5303 2.5411 2.6358 2.7368 3.1555 3.2024 3.5057 3.5426 4.0410 4.1007 4.4353 4.5546 4.6742 4.7137 5.2354 5.3081 5.4663 5.5321 8.2564 8.3193 8.6390 8.7041 9.3879 9.4261 9.4441 9.5025 10.6045 10.6687 k =-0.2688 0.3768 0.4629 ( 5873 PWs) bands (ev): -7.5565 -7.5536 -6.7636 -6.7600 -6.6436 -6.6380 -6.4081 -6.3986 -2.1300 -2.0947 -1.4922 -1.4468 -1.4366 -1.3447 -1.2891 -1.2034 -0.9932 -0.9370 0.0059 0.0424 0.1236 0.1777 0.2370 0.2773 0.3888 0.4697 0.5084 0.5396 0.6365 0.7053 1.3415 1.3913 1.5979 1.6454 2.5149 2.5395 2.6399 2.7405 3.1479 3.1986 3.4752 3.5092 4.0350 4.0971 4.4502 4.5715 4.7002 4.7480 5.2322 5.3024 5.4560 5.5172 8.2636 8.3283 8.6683 8.7294 9.4046 9.4713 9.4799 9.5171 10.6145 10.6721 k =-0.2599 0.3642 0.4474 ( 5865 PWs) bands (ev): -7.5661 -7.5633 -6.7503 -6.7468 -6.6407 -6.6352 -6.4105 -6.4011 -2.1293 -2.0958 -1.4950 -1.4454 -1.4349 -1.3458 -1.2876 -1.2027 -0.9973 -0.9425 0.0023 0.0451 0.1256 0.1671 0.2330 0.2808 0.3932 0.4744 0.5155 0.5412 0.6387 0.7061 1.3418 1.3932 1.5861 1.6296 2.4971 2.5371 2.6459 2.7465 3.1349 3.1900 3.4537 3.4844 4.0310 4.0946 4.4668 4.5897 4.7301 4.7858 5.2252 5.2928 5.4440 5.5011 8.2713 8.3366 8.6938 8.7508 9.4131 9.5035 9.5192 9.5366 10.6115 10.6631 k =-0.2509 0.3517 0.4320 ( 5867 PWs) bands (ev): -7.5774 -7.5747 -6.7366 -6.7332 -6.6358 -6.6304 -6.4127 -6.4035 -2.1290 -2.0968 -1.4979 -1.4439 -1.4332 -1.3466 -1.2869 -1.2020 -1.0049 -0.9468 -0.0020 0.0479 0.1286 0.1567 0.2279 0.2847 0.3980 0.4775 0.5223 0.5429 0.6400 0.7069 1.3435 1.3959 1.5750 1.6147 2.4792 2.5334 2.6528 2.7541 3.1162 3.1761 3.4406 3.4683 4.0311 4.0954 4.4838 4.6074 4.7634 4.8266 5.2144 5.2792 5.4312 5.4848 8.2796 8.3443 8.7148 8.7675 9.4139 9.5054 9.5673 9.5721 10.5995 10.6458 k =-0.2419 0.3391 0.4166 ( 5877 PWs) bands (ev): -7.5903 -7.5877 -6.7225 -6.7192 -6.6292 -6.6240 -6.4149 -6.4059 -2.1293 -2.0977 -1.5006 -1.4422 -1.4318 -1.3473 -1.2869 -1.2011 -1.0154 -0.9500 -0.0068 0.0507 0.1315 0.1478 0.2219 0.2891 0.4031 0.4796 0.5283 0.5447 0.6400 0.7076 1.3463 1.3991 1.5644 1.6013 2.4620 2.5288 2.6600 2.7627 3.0929 3.1576 3.4340 3.4596 4.0371 4.1014 4.4995 4.6227 4.7994 4.8694 5.1999 5.2620 5.4186 5.4700 8.2885 8.3512 8.7308 8.7789 9.4074 9.4953 9.6132 9.6165 10.5812 10.6222 k =-0.2330 0.3265 0.4011 ( 5879 PWs) bands (ev): -7.6046 -7.6021 -6.7078 -6.7047 -6.6212 -6.6161 -6.4169 -6.4081 -2.1302 -2.0984 -1.5033 -1.4404 -1.4306 -1.3477 -1.2878 -1.2001 -1.0279 -0.9528 -0.0118 0.0533 0.1303 0.1445 0.2150 0.2939 0.4081 0.4807 0.5334 0.5466 0.6389 0.7084 1.3503 1.4028 1.5538 1.5898 2.4460 2.5236 2.6672 2.7718 3.0672 3.1364 3.4313 3.4557 4.0506 4.1139 4.5125 4.6341 4.8374 4.9133 5.1822 5.2416 5.4074 5.4581 8.2975 8.3572 8.7412 8.7845 9.3938 9.4774 9.6561 9.6658 10.5578 10.5923 k =-0.2240 0.3140 0.3857 ( 5879 PWs) bands (ev): -7.6201 -7.6178 -6.6924 -6.6895 -6.6121 -6.6072 -6.4186 -6.4102 -2.1319 -2.0991 -1.5058 -1.4386 -1.4297 -1.3479 -1.2895 -1.1990 -1.0418 -0.9555 -0.0168 0.0558 0.1239 0.1478 0.2076 0.2990 0.4130 0.4810 0.5371 0.5488 0.6366 0.7091 1.3553 1.4067 1.5431 1.5808 2.4314 2.5180 2.6739 2.7807 3.0412 3.1147 3.4303 3.4541 4.0727 4.1343 4.5213 4.6399 4.8760 4.9568 5.1622 5.2196 5.3990 5.4508 8.3060 8.3616 8.7461 8.7844 9.3735 9.4529 9.6997 9.7148 10.5282 10.5550 k =-0.2151 0.3014 0.3703 ( 5887 PWs) bands (ev): -7.6366 -7.6345 -6.6765 -6.6737 -6.6023 -6.5976 -6.4202 -6.4121 -2.1342 -2.0996 -1.5082 -1.4369 -1.4292 -1.3479 -1.2918 -1.1979 -1.0564 -0.9586 -0.0218 0.0579 0.1168 0.1529 0.1999 0.3046 0.4175 0.4808 0.5394 0.5514 0.6331 0.7097 1.3610 1.4106 1.5326 1.5743 2.4183 2.5121 2.6795 2.7884 3.0170 3.0947 3.4297 3.4532 4.1038 4.1630 4.5247 4.6392 4.9130 4.9963 5.1424 5.1987 5.3946 5.4492 8.3126 8.3632 8.7456 8.7792 9.3472 9.4226 9.7432 9.7623 10.4863 10.5094 k =-0.2061 0.2889 0.3549 ( 5887 PWs) bands (ev): -7.6540 -7.6519 -6.6599 -6.6573 -6.5920 -6.5875 -6.4214 -6.4138 -2.1371 -2.1003 -1.5103 -1.4353 -1.4291 -1.3476 -1.2946 -1.1967 -1.0714 -0.9622 -0.0266 0.0597 0.1108 0.1584 0.1923 0.3104 0.4216 0.4799 0.5401 0.5543 0.6285 0.7099 1.3672 1.4139 1.5236 1.5698 2.4070 2.5060 2.6833 2.7937 2.9961 3.0785 3.4285 3.4525 4.1434 4.2002 4.5219 4.6314 4.9436 5.0221 5.1304 5.1853 5.3955 5.4542 8.3154 8.3605 8.7406 8.7709 9.3152 9.3870 9.7853 9.8066 10.4231 10.4551 k =-0.1971 0.2763 0.3394 ( 5895 PWs) bands (ev): -7.6719 -7.6700 -6.6427 -6.6404 -6.5815 -6.5773 -6.4222 -6.4152 -2.1405 -2.1011 -1.5122 -1.4338 -1.4295 -1.3470 -1.2978 -1.1956 -1.0863 -0.9663 -0.0312 0.0610 0.1061 0.1632 0.1855 0.3165 0.4252 0.4785 0.5395 0.5575 0.6231 0.7096 1.3735 1.4160 1.5172 1.5671 2.3974 2.4997 2.6844 2.7956 2.9799 3.0672 3.4266 3.4523 4.1908 4.2453 4.5125 4.6165 4.9601 5.0194 5.1377 5.1904 5.4027 5.4658 8.3116 8.3512 8.7327 8.7622 9.2783 9.3467 9.8239 9.8448 10.3430 10.3897 k =-0.1882 0.2637 0.3240 ( 5891 PWs) bands (ev): -7.6903 -7.6884 -6.6251 -6.6231 -6.5710 -6.5670 -6.4226 -6.4162 -2.1444 -2.1021 -1.5139 -1.4327 -1.4304 -1.3462 -1.3012 -1.1947 -1.1010 -0.9711 -0.0355 0.0619 0.1027 0.1658 0.1813 0.3227 0.4282 0.4766 0.5376 0.5609 0.6169 0.7087 1.3797 1.4161 1.5151 1.5659 2.3896 2.4932 2.6821 2.7931 2.9690 3.0614 3.4242 3.4534 4.2447 4.2979 4.4971 4.5952 4.9560 4.9929 5.1621 5.2183 5.4166 5.4837 8.2975 8.3328 8.7248 8.7562 9.2370 9.3016 9.8541 9.8714 10.2610 10.3186 k =-0.1792 0.2512 0.3086 ( 5883 PWs) bands (ev): -7.7088 -7.7071 -6.6072 -6.6055 -6.5607 -6.5570 -6.4225 -6.4168 -2.1487 -2.1036 -1.5153 -1.4326 -1.4309 -1.3453 -1.3044 -1.1939 -1.1152 -0.9765 -0.0395 0.0625 0.1002 0.1637 0.1823 0.3292 0.4307 0.4744 0.5348 0.5642 0.6100 0.7069 1.3850 1.4141 1.5183 1.5661 2.3834 2.4865 2.6762 2.7864 2.9633 3.0608 3.4224 3.4567 4.3028 4.3570 4.4771 4.5687 4.9343 4.9552 5.1980 5.2589 5.4372 5.5073 8.2702 8.3028 8.7208 8.7548 9.1918 9.2519 9.8618 9.8806 10.1956 10.2535 k =-0.1703 0.2386 0.2931 ( 5885 PWs) bands (ev): -7.7274 -7.7257 -6.5892 -6.5880 -6.5507 -6.5473 -6.4218 -6.4169 -2.1532 -2.1055 -1.5164 -1.4344 -1.4303 -1.3444 -1.3073 -1.1935 -1.1288 -0.9825 -0.0432 0.0632 0.0981 0.1596 0.1862 0.3356 0.4328 0.4717 0.5311 0.5673 0.6026 0.7043 1.3879 1.4114 1.5268 1.5679 2.3787 2.4796 2.6670 2.7760 2.9619 3.0637 3.4221 3.4628 4.3597 4.4218 4.4577 4.5385 4.9024 4.9121 5.2411 5.3041 5.4643 5.5357 8.2285 8.2594 8.7234 8.7588 9.1439 9.1978 9.8254 9.8676 10.1635 10.2103 k =-0.1613 0.2261 0.2777 ( 5887 PWs) bands (ev): -7.7458 -7.7443 -6.5714 -6.5707 -6.5409 -6.5381 -6.4205 -6.4163 -2.1580 -2.1079 -1.5171 -1.4368 -1.4297 -1.3436 -1.3095 -1.1934 -1.1416 -0.9890 -0.0466 0.0643 0.0957 0.1561 0.1907 0.3422 0.4344 0.4687 0.5268 0.5699 0.5949 0.7005 1.3865 1.4104 1.5399 1.5718 2.3754 2.4724 2.6554 2.7630 2.9631 3.0680 3.4246 3.4725 4.3877 4.4630 4.4918 4.5087 4.8640 4.8681 5.2881 5.3503 5.4971 5.5680 8.1728 8.2024 8.7328 8.7675 9.0947 9.1396 9.7516 9.8210 10.1633 10.1985 k =-0.1523 0.2135 0.2623 ( 5879 PWs) bands (ev): -7.7640 -7.7625 -6.5549 -6.5539 -6.5309 -6.5290 -6.4184 -6.4150 -2.1629 -2.1108 -1.5176 -1.4397 -1.4292 -1.3431 -1.3108 -1.1939 -1.1535 -0.9961 -0.0496 0.0658 0.0928 0.1541 0.1952 0.3487 0.4356 0.4654 0.5222 0.5716 0.5873 0.6957 1.3810 1.4115 1.5570 1.5784 2.3733 2.4650 2.6421 2.7483 2.9651 3.0712 3.4312 3.4861 4.3697 4.4639 4.5252 4.5662 4.8175 4.8317 5.3368 5.3961 5.5348 5.6032 8.1049 8.1332 8.7456 8.7798 9.0469 9.0787 9.6588 9.7466 10.1813 10.2099 k =-0.1434 0.2009 0.2469 ( 5873 PWs) bands (ev): -7.7817 -7.7803 -6.5413 -6.5383 -6.5197 -6.5194 -6.4155 -6.4130 -2.1679 -2.1144 -1.5177 -1.4429 -1.4290 -1.3433 -1.3109 -1.1951 -1.1641 -1.0036 -0.0523 0.0673 0.0897 0.1539 0.1995 0.3551 0.4365 0.4617 0.5175 0.5706 0.5816 0.6895 1.3737 1.4127 1.5771 1.5886 2.3723 2.4573 2.6281 2.7328 2.9663 3.0714 3.4426 3.5039 4.3404 4.4317 4.5768 4.6436 4.7699 4.8060 5.3860 5.4410 5.5761 5.6405 8.0270 8.0536 8.7534 8.7950 9.0030 9.0199 9.5586 9.6573 10.2066 10.2315 k =-0.1344 0.1884 0.2314 ( 5869 PWs) bands (ev): -7.7989 -7.7976 -6.5314 -6.5265 -6.5075 -6.5059 -6.4120 -6.4102 -2.1729 -2.1185 -1.5176 -1.4463 -1.4290 -1.3440 -1.3099 -1.1976 -1.1729 -1.0116 -0.0546 0.0676 0.0880 0.1552 0.2034 0.3614 0.4372 0.4577 0.5128 0.5650 0.5798 0.6820 1.3659 1.4127 1.5979 1.6048 2.3721 2.4494 2.6140 2.7169 2.9649 3.0668 3.4593 3.5260 4.3098 4.3986 4.6050 4.7106 4.7361 4.8096 5.4350 5.4849 5.6199 5.6792 7.9408 7.9659 8.7442 8.8093 8.9536 8.9870 9.4567 9.5618 10.2328 10.2563 k =-0.1255 0.1758 0.2160 ( 5873 PWs) bands (ev): -7.8154 -7.8142 -6.5246 -6.5188 -6.4928 -6.4906 -6.4078 -6.4065 -2.1778 -2.1232 -1.5171 -1.4496 -1.4290 -1.3454 -1.3079 -1.2017 -1.1793 -1.0200 -0.0564 0.0648 0.0895 0.1578 0.2069 0.3676 0.4376 0.4532 0.5085 0.5570 0.5797 0.6732 1.3584 1.4111 1.6169 1.6295 2.3727 2.4415 2.6003 2.7011 2.9599 3.0567 3.4811 3.5521 4.2805 4.3672 4.5950 4.6721 4.8109 4.8550 5.4832 5.5276 5.6652 5.7185 7.8482 7.8716 8.7129 8.8015 8.9225 8.9819 9.3561 9.4644 10.2562 10.2809 k =-0.1165 0.1633 0.2006 ( 5855 PWs) bands (ev): -7.8311 -7.8300 -6.5197 -6.5138 -6.4771 -6.4750 -6.4032 -6.4022 -2.1826 -2.1283 -1.5163 -1.4530 -1.4291 -1.3472 -1.3051 -1.2076 -1.1834 -1.0287 -0.0578 0.0595 0.0942 0.1615 0.2100 0.3734 0.4378 0.4485 0.5047 0.5485 0.5795 0.6631 1.3514 1.4078 1.6385 1.6583 2.3739 2.4337 2.5874 2.6856 2.9502 3.0407 3.5072 3.5818 4.2538 4.3385 4.5630 4.6261 4.8962 4.9258 5.5302 5.5693 5.7109 5.7580 7.7506 7.7724 8.6644 8.7533 8.9329 8.9939 9.2588 9.3680 10.2752 10.3029 k =-0.1075 0.1507 0.1851 ( 5861 PWs) bands (ev): -7.8460 -7.8450 -6.5161 -6.5102 -6.4615 -6.4596 -6.3982 -6.3973 -2.1871 -2.1339 -1.5153 -1.4562 -1.4292 -1.3495 -1.3018 -1.2143 -1.1857 -1.0378 -0.0588 0.0528 0.1008 0.1659 0.2128 0.3788 0.4379 0.4435 0.5015 0.5401 0.5788 0.6518 1.3450 1.4032 1.6635 1.6896 2.3759 2.4261 2.5754 2.6705 2.9354 3.0188 3.5365 3.6142 4.2305 4.3131 4.5239 4.5812 4.9837 5.0077 5.5755 5.6100 5.7561 5.7970 7.6492 7.6694 8.6063 8.6870 8.9626 9.0145 9.1665 9.2747 10.2898 10.3206 k =-0.0986 0.1382 0.1697 ( 5877 PWs) bands (ev): -7.8600 -7.8590 -6.5135 -6.5078 -6.4465 -6.4448 -6.3930 -6.3920 -2.1913 -2.1399 -1.5140 -1.4592 -1.4291 -1.3521 -1.2980 -1.2212 -1.1870 -1.0471 -0.0592 0.0456 0.1085 0.1711 0.2153 0.3834 0.4374 0.4391 0.4988 0.5321 0.5776 0.6394 1.3395 1.3975 1.6920 1.7230 2.3787 2.4189 2.5645 2.6559 2.9150 2.9915 3.5681 3.6486 4.2109 4.2913 4.4839 4.5379 5.0725 5.0946 5.6189 5.6496 5.8001 5.8351 7.5451 7.5637 8.5440 8.6162 8.9967 9.0319 9.0858 9.1882 10.2999 10.3329 k =-0.0896 0.1256 0.1543 ( 5859 PWs) bands (ev): -7.8730 -7.8721 -6.5115 -6.5061 -6.4324 -6.4309 -6.3877 -6.3866 -2.1951 -2.1462 -1.5124 -1.4620 -1.4288 -1.3550 -1.2941 -1.2276 -1.1876 -1.0566 -0.0590 0.0381 0.1168 0.1769 0.2176 0.3868 0.4336 0.4385 0.4966 0.5245 0.5757 0.6262 1.3348 1.3910 1.7234 1.7581 2.3823 2.4124 2.5548 2.6419 2.8892 2.9594 3.6008 3.6839 4.1950 4.2732 4.4457 4.4970 5.1622 5.1842 5.6603 5.6883 5.8424 5.8717 7.4391 7.4562 8.4806 8.5451 8.9815 9.0370 9.0557 9.1271 10.3058 10.3396 k =-0.0806 0.1130 0.1389 ( 5865 PWs) bands (ev): -7.8849 -7.8841 -6.5101 -6.5050 -6.4193 -6.4180 -6.3823 -6.3812 -2.1985 -2.1526 -1.5107 -1.4646 -1.4282 -1.3584 -1.2902 -1.2336 -1.1875 -1.0662 -0.0584 0.0305 0.1253 0.1831 0.2200 0.3883 0.4304 0.4387 0.4946 0.5177 0.5733 0.6126 1.3308 1.3841 1.7574 1.7945 2.3868 2.4068 2.5464 2.6284 2.8583 2.9231 3.6336 3.7189 4.1822 4.2589 4.4110 4.4587 5.2520 5.2748 5.6995 5.7262 5.8823 5.9064 7.3321 7.3477 8.4182 8.4757 8.9098 8.9940 9.0780 9.1306 10.3081 10.3414 k =-0.0717 0.1005 0.1234 ( 5865 PWs) bands (ev): -7.8956 -7.8949 -6.5090 -6.5043 -6.4073 -6.4063 -6.3770 -6.3760 -2.2013 -2.1590 -1.5087 -1.4672 -1.4271 -1.3621 -1.2863 -1.2389 -1.1868 -1.0760 -0.0572 0.0230 0.1338 0.1892 0.2231 0.3871 0.4290 0.4393 0.4927 0.5117 0.5703 0.5988 1.3277 1.3770 1.7934 1.8316 2.3923 2.4026 2.5394 2.6155 2.8227 2.8834 3.6655 3.7524 4.1722 4.2482 4.3809 4.4234 5.3409 5.3653 5.7370 5.7635 5.9195 5.9389 7.2249 7.2390 8.3585 8.4095 8.8414 8.9229 9.1145 9.1562 10.3073 10.3390 k =-0.0627 0.0879 0.1080 ( 5863 PWs) bands (ev): -7.9052 -7.9046 -6.5082 -6.5040 -6.3967 -6.3959 -6.3719 -6.3710 -2.2036 -2.1655 -1.5066 -1.4697 -1.4256 -1.3661 -1.2826 -1.2436 -1.1853 -1.0857 -0.0555 0.0156 0.1418 0.1944 0.2278 0.3831 0.4296 0.4404 0.4903 0.5066 0.5666 0.5857 1.3253 1.3699 1.8306 1.8687 2.3968 2.4024 2.5338 2.6031 2.7832 2.8410 3.6960 3.7830 4.1643 4.2409 4.3559 4.3916 5.4275 5.4538 5.7734 5.8009 5.9535 5.9686 7.1181 7.1307 8.3028 8.3475 8.7797 8.8547 9.1497 9.1841 10.3041 10.3334 k =-0.0538 0.0754 0.0926 ( 5863 PWs) bands (ev): -7.9136 -7.9131 -6.5076 -6.5039 -6.3875 -6.3870 -6.3670 -6.3664 -2.2053 -2.1717 -1.5043 -1.4722 -1.4235 -1.3705 -1.2792 -1.2477 -1.1829 -1.0955 -0.0532 0.0083 0.1494 0.1977 0.2352 0.3768 0.4317 0.4421 0.4874 0.5024 0.5619 0.5742 1.3238 1.3630 1.8682 1.9049 2.3970 2.4102 2.5297 2.5914 2.7410 2.7968 3.7243 3.8093 4.1587 4.2365 4.3360 4.3635 5.5098 5.5379 5.8104 5.8395 5.9841 5.9953 7.0127 7.0237 8.2524 8.2909 8.7259 8.7926 9.1825 9.2108 10.2994 10.3258 k =-0.0448 0.0628 0.0771 ( 5863 PWs) bands (ev): -7.9208 -7.9204 -6.5071 -6.5040 -6.3799 -6.3796 -6.3624 -6.3620 -2.2063 -2.1777 -1.5019 -1.4747 -1.4208 -1.3752 -1.2762 -1.2512 -1.1796 -1.1052 -0.0504 0.0013 0.1564 0.1987 0.2451 0.3688 0.4346 0.4444 0.4839 0.4983 0.5557 0.5658 1.3231 1.3563 1.9052 1.9390 2.3986 2.4216 2.5269 2.5801 2.6972 2.7517 3.7501 3.8299 4.1559 4.2340 4.3207 4.3396 5.5846 5.6136 5.8509 5.8809 6.0110 6.0187 6.9098 6.9192 8.2083 8.2405 8.6805 8.7377 9.2120 9.2349 10.2939 10.3170 k =-0.0358 0.0502 0.0617 ( 5863 PWs) bands (ev): -7.9267 -7.9264 -6.5067 -6.5042 -6.3740 -6.3737 -6.3583 -6.3581 -2.2066 -2.1833 -1.4993 -1.4773 -1.4176 -1.3801 -1.2734 -1.2544 -1.1754 -1.1147 -0.0471 -0.0054 0.1629 0.1979 0.2572 0.3595 0.4380 0.4473 0.4802 0.4934 0.5493 0.5601 1.3231 1.3501 1.9400 1.9696 2.4034 2.4359 2.5254 2.5694 2.6535 2.7064 3.7733 3.8439 4.1568 4.2316 4.3089 4.3208 5.6482 5.6754 5.8982 5.9270 6.0342 6.0388 6.8110 6.8187 8.1714 8.1974 8.6439 8.6907 9.2376 9.2555 10.2887 10.3080 k =-0.0269 0.0377 0.0463 ( 5857 PWs) bands (ev): -7.9313 -7.9310 -6.5064 -6.5045 -6.3696 -6.3694 -6.3547 -6.3547 -2.2062 -2.1885 -1.4967 -1.4800 -1.4139 -1.3851 -1.2709 -1.2571 -1.1702 -1.1240 -0.0434 -0.0119 0.1689 0.1958 0.2704 0.3491 0.4420 0.4505 0.4764 0.4873 0.5450 0.5555 1.3239 1.3444 1.9712 1.9950 2.4122 2.4534 2.5246 2.5591 2.6125 2.6619 3.7937 3.8511 4.1618 4.2274 4.2995 4.3081 5.6976 5.7195 5.9526 5.9773 6.0539 6.0565 6.7189 6.7248 8.1425 8.1621 8.6165 8.6523 9.2587 9.2718 10.2844 10.2995 k =-0.0179 0.0251 0.0309 ( 5857 PWs) bands (ev): -7.9346 -7.9344 -6.5061 -6.5048 -6.3666 -6.3664 -6.3520 -6.3520 -2.2050 -2.1931 -1.4940 -1.4828 -1.4097 -1.3903 -1.2685 -1.2596 -1.1642 -1.1331 -0.0391 -0.0181 0.1746 0.1928 0.2843 0.3376 0.4466 0.4536 0.4730 0.4804 0.5432 0.5515 1.3255 1.3393 1.9967 2.0135 2.4260 2.4731 2.5226 2.5497 2.5789 2.6194 3.8114 3.8518 4.1707 4.2196 4.2933 4.3004 5.7320 5.7467 6.0055 6.0240 6.0716 6.0756 6.6387 6.6428 8.1224 8.1355 8.5986 8.6227 9.2747 9.2833 10.2817 10.2920 k =-0.0090 0.0126 0.0154 ( 5875 PWs) bands (ev): -7.9365 -7.9364 -6.5058 -6.5051 -6.3649 -6.3648 -6.3503 -6.3503 -2.2031 -2.1971 -1.4912 -1.4856 -1.4052 -1.3954 -1.2663 -1.2620 -1.1573 -1.1417 -0.0345 -0.0239 0.1798 0.1890 0.2983 0.3252 0.4515 0.4558 0.4703 0.4740 0.5435 0.5481 1.3279 1.3348 2.0148 2.0235 2.4451 2.4840 2.5225 2.5452 2.5585 2.5800 3.8264 3.8473 4.1823 4.2084 4.2912 4.2954 5.7528 5.7600 6.0404 6.0493 6.0951 6.0984 6.5802 6.5823 8.1114 8.1180 8.5902 8.6023 9.2853 9.2896 10.2810 10.2863 k = 0.0000 0.0000 0.0000 ( 5871 PWs) bands (ev): -7.9372 -7.9372 -6.5054 -6.5054 -6.3643 -6.3643 -6.3497 -6.3497 -2.2004 -2.2004 -1.4884 -1.4884 -1.4004 -1.4004 -1.2642 -1.2642 -1.1498 -1.1498 -0.0294 -0.0294 0.1846 0.1846 0.3120 0.3120 0.4553 0.4553 0.4702 0.4702 0.5453 0.5453 1.3310 1.3310 2.0240 2.0240 2.4677 2.4677 2.5443 2.5443 2.5498 2.5498 3.8385 3.8385 4.1954 4.1954 4.2923 4.2923 5.7619 5.7619 6.0527 6.0527 6.1099 6.1099 6.5584 6.5584 8.1099 8.1099 8.5914 8.5914 9.2903 9.2903 10.2825 10.2825 k = 0.0000 0.0000 0.0000 ( 5871 PWs) bands (ev): -7.9372 -7.9372 -6.5054 -6.5054 -6.3643 -6.3643 -6.3497 -6.3497 -2.2004 -2.2004 -1.4884 -1.4884 -1.4004 -1.4004 -1.2642 -1.2642 -1.1498 -1.1498 -0.0294 -0.0294 0.1846 0.1846 0.3120 0.3120 0.4553 0.4553 0.4702 0.4702 0.5453 0.5453 1.3310 1.3310 2.0240 2.0240 2.4677 2.4677 2.5443 2.5443 2.5498 2.5498 3.8385 3.8385 4.1954 4.1954 4.2923 4.2923 5.7619 5.7619 6.0527 6.0527 6.1099 6.1099 6.5584 6.5584 8.1099 8.1099 8.5914 8.5914 9.2903 9.2903 10.2825 10.2825 k = 0.0179 0.0127 0.0000 ( 5871 PWs) bands (ev): -7.9365 -7.9365 -6.5067 -6.5067 -6.3643 -6.3643 -6.3498 -6.3498 -2.2001 -2.2001 -1.4881 -1.4881 -1.4003 -1.4003 -1.2641 -1.2641 -1.1498 -1.1498 -0.0291 -0.0291 0.1845 0.1845 0.3117 0.3117 0.4533 0.4533 0.4710 0.4710 0.5454 0.5454 1.3313 1.3313 2.0239 2.0239 2.4687 2.4687 2.5449 2.5449 2.5514 2.5514 3.8405 3.8405 4.1969 4.1969 4.2937 4.2937 5.7545 5.7545 6.0379 6.0379 6.1068 6.1068 6.5785 6.5785 8.1100 8.1100 8.5932 8.5932 9.2841 9.2841 10.2814 10.2814 k = 0.0357 0.0255 0.0000 ( 5875 PWs) bands (ev): -7.9344 -7.9344 -6.5103 -6.5103 -6.3643 -6.3643 -6.3498 -6.3498 -2.1992 -2.1992 -1.4874 -1.4874 -1.4000 -1.4000 -1.2639 -1.2639 -1.1499 -1.1499 -0.0281 -0.0281 0.1840 0.1840 0.3109 0.3109 0.4484 0.4484 0.4726 0.4726 0.5460 0.5460 1.3322 1.3322 2.0237 2.0237 2.4720 2.4720 2.5469 2.5469 2.5557 2.5557 3.8462 3.8462 4.2011 4.2011 4.2979 4.2979 5.7317 5.7317 6.0011 6.0011 6.0976 6.0976 6.6318 6.6318 8.1104 8.1104 8.5983 8.5983 9.2658 9.2658 10.2778 10.2778 k = 0.0536 0.0382 0.0000 ( 5863 PWs) bands (ev): -7.9310 -7.9310 -6.5164 -6.5164 -6.3643 -6.3643 -6.3499 -6.3499 -2.1978 -2.1978 -1.4863 -1.4863 -1.3995 -1.3995 -1.2637 -1.2637 -1.1501 -1.1501 -0.0264 -0.0264 0.1832 0.1832 0.3094 0.3094 0.4421 0.4421 0.4737 0.4737 0.5468 0.5468 1.3337 1.3337 2.0234 2.0234 2.4773 2.4773 2.5507 2.5508 2.5624 2.5624 3.8557 3.8557 4.2081 4.2081 4.3049 4.3050 5.6925 5.6925 5.9555 5.9555 6.0824 6.0824 6.7061 6.7061 8.1110 8.1110 8.6068 8.6068 9.2363 9.2363 10.2707 10.2707 k = 0.0714 0.0510 0.0000 ( 5867 PWs) bands (ev): -7.9262 -7.9262 -6.5248 -6.5248 -6.3643 -6.3643 -6.3501 -6.3501 -2.1957 -2.1957 -1.4847 -1.4847 -1.3988 -1.3988 -1.2633 -1.2633 -1.1504 -1.1504 -0.0241 -0.0241 0.1822 0.1822 0.3073 0.3073 0.4349 0.4349 0.4740 0.4740 0.5478 0.5478 1.3358 1.3358 2.0230 2.0230 2.4845 2.4845 2.5565 2.5565 2.5712 2.5712 3.8689 3.8689 4.2178 4.2178 4.3147 4.3147 5.6373 5.6373 5.9102 5.9102 6.0614 6.0614 6.7922 6.7922 8.1119 8.1119 8.6184 8.6184 9.1968 9.1968 10.2589 10.2589 k = 0.0893 0.0637 0.0000 ( 5867 PWs) bands (ev): -7.9202 -7.9202 -6.5355 -6.5355 -6.3643 -6.3643 -6.3503 -6.3503 -2.1932 -2.1932 -1.4829 -1.4829 -1.3978 -1.3978 -1.2629 -1.2629 -1.1507 -1.1507 -0.0212 -0.0212 0.1810 0.1810 0.3043 0.3043 0.4274 0.4274 0.4733 0.4733 0.5489 0.5489 1.3385 1.3385 2.0227 2.0227 2.4935 2.4935 2.5642 2.5642 2.5821 2.5821 3.8856 3.8856 4.2301 4.2301 4.3269 4.3269 5.5692 5.5692 5.8677 5.8677 6.0351 6.0351 6.8847 6.8847 8.1130 8.1130 8.6330 8.6330 9.1489 9.1489 10.2408 10.2408 k = 0.1071 0.0764 0.0000 ( 5875 PWs) bands (ev): -7.9128 -7.9128 -6.5484 -6.5484 -6.3643 -6.3643 -6.3506 -6.3506 -2.1902 -2.1902 -1.4807 -1.4807 -1.3967 -1.3967 -1.2624 -1.2624 -1.1511 -1.1511 -0.0176 -0.0176 0.1796 0.1796 0.3005 0.3005 0.4199 0.4199 0.4717 0.4717 0.5499 0.5499 1.3417 1.3417 2.0225 2.0225 2.5039 2.5039 2.5738 2.5738 2.5948 2.5948 3.9056 3.9056 4.2449 4.2449 4.3417 4.3417 5.4924 5.4924 5.8272 5.8272 6.0037 6.0037 6.9805 6.9805 8.1142 8.1142 8.6502 8.6502 9.0943 9.0943 10.2148 10.2148 k = 0.1250 0.0892 0.0000 ( 5874 PWs) bands (ev): -7.9041 -7.9041 -6.5633 -6.5633 -6.3643 -6.3643 -6.3508 -6.3508 -2.1868 -2.1868 -1.4784 -1.4784 -1.3953 -1.3953 -1.2619 -1.2619 -1.1515 -1.1515 -0.0135 -0.0135 0.1781 0.1781 0.2956 0.2956 0.4128 0.4128 0.4694 0.4694 0.5509 0.5509 1.3454 1.3454 2.0224 2.0224 2.5155 2.5155 2.5852 2.5853 2.6093 2.6093 3.9287 3.9287 4.2621 4.2621 4.3587 4.3587 5.4110 5.4110 5.7869 5.7869 5.9677 5.9677 7.0777 7.0777 8.1157 8.1157 8.6692 8.6692 9.0352 9.0352 10.1800 10.1800 k = 0.1429 0.1019 0.0000 ( 5866 PWs) bands (ev): -7.8942 -7.8942 -6.5802 -6.5802 -6.3643 -6.3643 -6.3512 -6.3512 -2.1831 -2.1831 -1.4760 -1.4760 -1.3936 -1.3936 -1.2613 -1.2613 -1.1519 -1.1519 -0.0090 -0.0090 0.1767 0.1767 0.2898 0.2898 0.4063 0.4064 0.4665 0.4665 0.5518 0.5518 1.3495 1.3495 2.0227 2.0227 2.5279 2.5279 2.5985 2.5985 2.6255 2.6255 3.9546 3.9546 4.2814 4.2815 4.3777 4.3778 5.3276 5.3276 5.7458 5.7458 5.9277 5.9277 7.1749 7.1749 8.1173 8.1173 8.6886 8.6886 8.9743 8.9743 10.1359 10.1359 k = 0.1607 0.1147 0.0000 ( 5886 PWs) bands (ev): -7.8831 -7.8831 -6.5989 -6.5989 -6.3643 -6.3643 -6.3515 -6.3515 -2.1790 -2.1790 -1.4736 -1.4736 -1.3918 -1.3918 -1.2608 -1.2608 -1.1524 -1.1524 -0.0041 -0.0041 0.1752 0.1752 0.2830 0.2830 0.4006 0.4006 0.4631 0.4631 0.5524 0.5524 1.3540 1.3541 2.0234 2.0234 2.5404 2.5404 2.6134 2.6135 2.6432 2.6432 3.9830 3.9830 4.3028 4.3028 4.3987 4.3987 5.2443 5.2443 5.7032 5.7032 5.8841 5.8841 7.2712 7.2712 8.1189 8.1189 8.7048 8.7048 8.9164 8.9164 10.0830 10.0831 k = 0.1786 0.1274 0.0000 ( 5886 PWs) bands (ev): -7.8709 -7.8709 -6.6193 -6.6193 -6.3643 -6.3643 -6.3519 -6.3519 -2.1748 -2.1748 -1.4712 -1.4712 -1.3897 -1.3897 -1.2602 -1.2602 -1.1530 -1.1530 0.0011 0.0011 0.1738 0.1738 0.2756 0.2756 0.3958 0.3958 0.4594 0.4594 0.5527 0.5527 1.3590 1.3590 2.0247 2.0247 2.5526 2.5526 2.6302 2.6302 2.6624 2.6624 4.0137 4.0137 4.3258 4.3258 4.4213 4.4213 5.1625 5.1625 5.6591 5.6591 5.8376 5.8376 7.3659 7.3659 8.1206 8.1206 8.7081 8.7081 8.8720 8.8720 10.0225 10.0225 k = 0.1964 0.1402 0.0000 ( 5874 PWs) bands (ev): -7.8576 -7.8576 -6.6411 -6.6411 -6.3643 -6.3643 -6.3523 -6.3523 -2.1704 -2.1704 -1.4690 -1.4690 -1.3874 -1.3874 -1.2597 -1.2597 -1.1536 -1.1536 0.0064 0.0064 0.1724 0.1724 0.2677 0.2677 0.3918 0.3918 0.4557 0.4557 0.5528 0.5528 1.3643 1.3643 2.0266 2.0266 2.5638 2.5638 2.6487 2.6487 2.6829 2.6829 4.0462 4.0462 4.3503 4.3503 4.4452 4.4452 5.0833 5.0833 5.6135 5.6135 5.7887 5.7887 7.4583 7.4583 8.1222 8.1222 8.6832 8.6832 8.8571 8.8571 9.9559 9.9559 k = 0.2143 0.1529 0.0000 ( 5870 PWs) bands (ev): -7.8433 -7.8433 -6.6642 -6.6642 -6.3643 -6.3643 -6.3528 -6.3528 -2.1658 -2.1658 -1.4669 -1.4669 -1.3849 -1.3849 -1.2592 -1.2592 -1.1544 -1.1544 0.0116 0.0117 0.1710 0.1710 0.2599 0.2599 0.3886 0.3886 0.4520 0.4520 0.5527 0.5527 1.3699 1.3699 2.0293 2.0293 2.5734 2.5734 2.6689 2.6689 2.7046 2.7046 4.0801 4.0801 4.3759 4.3759 4.4702 4.4702 5.0074 5.0074 5.5667 5.5667 5.7379 5.7379 7.5477 7.5477 8.1236 8.1236 8.6330 8.6330 8.8698 8.8698 9.8848 9.8848 k = 0.2321 0.1656 0.0000 ( 5866 PWs) bands (ev): -7.8281 -7.8281 -6.6884 -6.6884 -6.3643 -6.3643 -6.3532 -6.3532 -2.1613 -2.1613 -1.4650 -1.4650 -1.3823 -1.3823 -1.2588 -1.2588 -1.1552 -1.1552 0.0166 0.0166 0.1696 0.1696 0.2523 0.2523 0.3862 0.3862 0.4485 0.4485 0.5522 0.5522 1.3759 1.3759 2.0329 2.0329 2.5807 2.5807 2.6906 2.6906 2.7273 2.7273 4.1151 4.1151 4.4023 4.4023 4.4961 4.4961 4.9357 4.9357 5.5190 5.5190 5.6860 5.6860 7.6335 7.6335 8.1248 8.1248 8.5727 8.5727 8.8952 8.8952 9.8111 9.8111 k = 0.2500 0.1784 0.0000 ( 5850 PWs) bands (ev): -7.8121 -7.8121 -6.7134 -6.7134 -6.3642 -6.3642 -6.3537 -6.3537 -2.1567 -2.1567 -1.4634 -1.4634 -1.3796 -1.3796 -1.2583 -1.2583 -1.1562 -1.1562 0.0211 0.0211 0.1679 0.1679 0.2456 0.2456 0.3844 0.3844 0.4454 0.4454 0.5515 0.5515 1.3820 1.3820 2.0376 2.0376 2.5854 2.5854 2.7138 2.7138 2.7508 2.7508 4.1506 4.1506 4.4289 4.4289 4.5224 4.5224 4.8688 4.8688 5.4710 5.4710 5.6334 5.6334 7.7149 7.7149 8.1256 8.1256 8.5104 8.5104 8.9257 8.9257 9.7362 9.7362 k = 0.2679 0.1911 0.0000 ( 5842 PWs) bands (ev): -7.7954 -7.7954 -6.7390 -6.7390 -6.3642 -6.3642 -6.3542 -6.3542 -2.1523 -2.1523 -1.4620 -1.4620 -1.3768 -1.3768 -1.2579 -1.2579 -1.1573 -1.1573 0.0249 0.0249 0.1660 0.1660 0.2398 0.2398 0.3833 0.3833 0.4429 0.4429 0.5504 0.5504 1.3884 1.3884 2.0435 2.0435 2.5869 2.5869 2.7380 2.7380 2.7749 2.7749 4.1863 4.1863 4.4553 4.4554 4.5488 4.5488 4.8076 4.8076 5.4231 5.4231 5.5807 5.5807 7.7911 7.7911 8.1259 8.1259 8.4503 8.4503 8.9579 8.9579 9.6618 9.6618 k = 0.2857 0.2039 0.0000 ( 5846 PWs) bands (ev): -7.7781 -7.7781 -6.7650 -6.7650 -6.3641 -6.3641 -6.3547 -6.3547 -2.1479 -2.1479 -1.4608 -1.4608 -1.3740 -1.3740 -1.2574 -1.2574 -1.1587 -1.1587 0.0280 0.0280 0.1638 0.1638 0.2352 0.2352 0.3827 0.3827 0.4411 0.4412 0.5491 0.5491 1.3949 1.3949 2.0508 2.0508 2.5851 2.5851 2.7631 2.7631 2.7993 2.7993 4.2215 4.2215 4.4808 4.4809 4.5748 4.5748 4.7528 4.7528 5.3760 5.3760 5.5285 5.5285 7.8604 7.8604 8.1255 8.1255 8.3953 8.3953 8.9900 8.9900 9.5890 9.5891 k = 0.3036 0.2166 0.0000 ( 5854 PWs) bands (ev): -7.7605 -7.7605 -6.7912 -6.7912 -6.3640 -6.3640 -6.3553 -6.3553 -2.1438 -2.1438 -1.4598 -1.4598 -1.3713 -1.3713 -1.2568 -1.2568 -1.1602 -1.1602 0.0302 0.0302 0.1613 0.1613 0.2318 0.2318 0.3828 0.3828 0.4403 0.4403 0.5474 0.5474 1.4015 1.4015 2.0595 2.0595 2.5797 2.5797 2.7886 2.7886 2.8237 2.8237 4.2557 4.2557 4.5044 4.5044 4.5994 4.5994 4.7062 4.7062 5.3300 5.3301 5.4774 5.4774 7.9208 7.9208 8.1238 8.1238 8.3491 8.3491 9.0202 9.0202 9.5192 9.5192 k = 0.3214 0.2293 0.0000 ( 5854 PWs) bands (ev): -7.7427 -7.7427 -6.8171 -6.8171 -6.3639 -6.3639 -6.3558 -6.3558 -2.1398 -2.1398 -1.4590 -1.4590 -1.3687 -1.3686 -1.2562 -1.2562 -1.1619 -1.1619 0.0315 0.0315 0.1586 0.1586 0.2292 0.2292 0.3832 0.3832 0.4407 0.4407 0.5454 0.5454 1.4080 1.4080 2.0698 2.0698 2.5705 2.5705 2.8142 2.8142 2.8478 2.8479 4.2883 4.2883 4.5240 4.5240 4.6189 4.6189 4.6729 4.6729 5.2861 5.2861 5.4279 5.4279 7.9684 7.9684 8.1194 8.1194 8.3171 8.3171 9.0474 9.0474 9.4532 9.4532 k = 0.3393 0.2421 0.0000 ( 5862 PWs) bands (ev): -7.7249 -7.7249 -6.8425 -6.8425 -6.3638 -6.3638 -6.3563 -6.3563 -2.1362 -2.1362 -1.4584 -1.4584 -1.3661 -1.3661 -1.2555 -1.2555 -1.1638 -1.1638 0.0319 0.0319 0.1560 0.1560 0.2272 0.2272 0.3840 0.3840 0.4423 0.4423 0.5431 0.5431 1.4145 1.4145 2.0819 2.0819 2.5578 2.5578 2.8395 2.8395 2.8713 2.8713 4.3184 4.3184 4.5358 4.5358 4.6212 4.6212 4.6686 4.6686 5.2447 5.2447 5.3804 5.3804 7.9984 7.9984 8.1117 8.1117 8.3054 8.3055 9.0698 9.0698 9.3922 9.3922 k = 0.3571 0.2548 0.0000 ( 5870 PWs) bands (ev): -7.7075 -7.7075 -6.8671 -6.8671 -6.3637 -6.3637 -6.3568 -6.3568 -2.1328 -2.1328 -1.4579 -1.4579 -1.3638 -1.3638 -1.2547 -1.2547 -1.1658 -1.1658 0.0317 0.0317 0.1538 0.1538 0.2255 0.2255 0.3848 0.3848 0.4453 0.4453 0.5403 0.5403 1.4207 1.4207 2.0957 2.0957 2.5415 2.5415 2.8641 2.8641 2.8936 2.8936 4.3452 4.3452 4.5347 4.5347 4.6185 4.6185 4.6856 4.6857 5.2068 5.2068 5.3356 5.3356 8.0067 8.0067 8.1035 8.1035 8.3156 8.3156 9.0860 9.0860 9.3369 9.3369 k = 0.3750 0.2676 0.0000 ( 5890 PWs) bands (ev): -7.6906 -7.6906 -6.8903 -6.8903 -6.3635 -6.3635 -6.3573 -6.3573 -2.1297 -2.1297 -1.4576 -1.4576 -1.3617 -1.3617 -1.2538 -1.2538 -1.1679 -1.1679 0.0308 0.0308 0.1519 0.1519 0.2239 0.2239 0.3857 0.3857 0.4497 0.4497 0.5371 0.5371 1.4266 1.4266 2.1113 2.1113 2.5222 2.5222 2.8875 2.8875 2.9144 2.9144 4.3672 4.3673 4.5246 4.5246 4.6254 4.6254 4.7056 4.7056 5.1730 5.1730 5.2936 5.2936 7.9955 7.9955 8.0988 8.0988 8.3416 8.3416 9.0943 9.0943 9.2879 9.2879 k = 0.3929 0.2803 0.0000 ( 5894 PWs) bands (ev): -7.6747 -7.6747 -6.9120 -6.9120 -6.3633 -6.3633 -6.3578 -6.3578 -2.1270 -2.1270 -1.4573 -1.4573 -1.3598 -1.3598 -1.2528 -1.2528 -1.1700 -1.1700 0.0296 0.0296 0.1504 0.1504 0.2223 0.2223 0.3864 0.3864 0.4553 0.4553 0.5335 0.5335 1.4320 1.4320 2.1285 2.1285 2.5004 2.5004 2.9093 2.9093 2.9333 2.9333 4.3833 4.3833 4.5150 4.5150 4.6364 4.6364 4.7245 4.7245 5.1441 5.1442 5.2550 5.2550 7.9741 7.9741 8.0966 8.0966 8.3751 8.3751 9.0938 9.0938 9.2455 9.2455 k = 0.4107 0.2930 0.0000 ( 5878 PWs) bands (ev): -7.6602 -7.6602 -6.9314 -6.9314 -6.3632 -6.3632 -6.3582 -6.3582 -2.1246 -2.1246 -1.4572 -1.4572 -1.3582 -1.3582 -1.2518 -1.2518 -1.1721 -1.1721 0.0282 0.0282 0.1494 0.1494 0.2207 0.2207 0.3869 0.3869 0.4619 0.4619 0.5293 0.5293 1.4368 1.4368 2.1472 2.1472 2.4767 2.4767 2.9291 2.9291 2.9498 2.9499 4.3922 4.3922 4.5106 4.5106 4.6475 4.6475 4.7410 4.7410 5.1211 5.1211 5.2200 5.2200 7.9502 7.9502 8.0952 8.0952 8.4101 8.4101 9.0855 9.0855 9.2094 9.2094 k = 0.4286 0.3058 0.0000 ( 5890 PWs) bands (ev): -7.6475 -7.6475 -6.9483 -6.9483 -6.3630 -6.3630 -6.3586 -6.3586 -2.1227 -2.1227 -1.4571 -1.4571 -1.3569 -1.3569 -1.2509 -1.2509 -1.1739 -1.1739 0.0267 0.0267 0.1488 0.1488 0.2191 0.2191 0.3873 0.3873 0.4692 0.4692 0.5247 0.5247 1.4410 1.4410 2.1669 2.1669 2.4521 2.4521 2.9464 2.9464 2.9636 2.9637 4.3950 4.3950 4.5118 4.5118 4.6571 4.6571 4.7545 4.7545 5.1045 5.1045 5.1887 5.1887 7.9280 7.9280 8.0938 8.0938 8.4429 8.4429 9.0721 9.0721 9.1793 9.1793 k = 0.4464 0.3185 0.0000 ( 5882 PWs) bands (ev): -7.6370 -7.6370 -6.9620 -6.9620 -6.3628 -6.3628 -6.3589 -6.3589 -2.1212 -2.1212 -1.4570 -1.4570 -1.3558 -1.3558 -1.2500 -1.2500 -1.1756 -1.1756 0.0254 0.0254 0.1485 0.1485 0.2177 0.2177 0.3876 0.3876 0.4768 0.4768 0.5195 0.5195 1.4444 1.4444 2.1865 2.1865 2.4280 2.4280 2.9607 2.9607 2.9744 2.9744 4.3942 4.3942 4.5162 4.5162 4.6648 4.6648 4.7646 4.7647 5.0947 5.0947 5.1614 5.1614 7.9094 7.9094 8.0925 8.0925 8.4708 8.4708 9.0576 9.0576 9.1551 9.1551 k = 0.4643 0.3313 0.0000 ( 5870 PWs) bands (ev): -7.6291 -7.6291 -6.9722 -6.9722 -6.3626 -6.3626 -6.3592 -6.3592 -2.1200 -2.1200 -1.4570 -1.4570 -1.3551 -1.3551 -1.2493 -1.2493 -1.1768 -1.1768 0.0244 0.0244 0.1483 0.1483 0.2166 0.2166 0.3877 0.3877 0.4845 0.4845 0.5138 0.5138 1.4468 1.4468 2.2046 2.2046 2.4065 2.4065 2.9718 2.9718 2.9818 2.9818 4.3921 4.3921 4.5210 4.5210 4.6703 4.6703 4.7716 4.7716 5.0917 5.0917 5.1380 5.1380 7.8956 7.8956 8.0915 8.0915 8.4921 8.4921 9.0451 9.0451 9.1373 9.1373 k = 0.4821 0.3440 0.0000 ( 5862 PWs) bands (ev): -7.6242 -7.6242 -6.9785 -6.9785 -6.3625 -6.3625 -6.3594 -6.3594 -2.1194 -2.1194 -1.4569 -1.4569 -1.3546 -1.3546 -1.2488 -1.2488 -1.1776 -1.1776 0.0238 0.0238 0.1482 0.1482 0.2159 0.2159 0.3878 0.3878 0.4918 0.4918 0.5078 0.5078 1.4483 1.4483 2.2181 2.2181 2.3908 2.3908 2.9790 2.9790 2.9858 2.9858 4.3903 4.3903 4.5244 4.5244 4.6736 4.6736 4.7755 4.7755 5.0951 5.0952 5.1190 5.1190 7.8871 7.8871 8.0908 8.0908 8.5055 8.5055 9.0369 9.0369 9.1264 9.1264 k = 0.5000 0.3568 0.0000 ( 5862 PWs) bands (ev): -7.6226 -7.6226 -6.9807 -6.9807 -6.3625 -6.3625 -6.3595 -6.3595 -2.1192 -2.1192 -1.4569 -1.4569 -1.3545 -1.3545 -1.2487 -1.2487 -1.1779 -1.1779 0.0235 0.0235 0.1482 0.1482 0.2156 0.2156 0.3878 0.3878 0.4965 0.4965 0.5035 0.5035 1.4488 1.4488 2.2233 2.2233 2.3848 2.3848 2.9817 2.9817 2.9869 2.9869 4.3897 4.3897 4.5257 4.5257 4.6747 4.6747 4.7768 4.7768 5.1035 5.1035 5.1055 5.1055 7.8843 7.8843 8.0905 8.0905 8.5101 8.5101 9.0340 9.0340 9.1228 9.1228 k = 0.5000 0.3568 0.0000 ( 5862 PWs) bands (ev): -7.6226 -7.6226 -6.9807 -6.9807 -6.3625 -6.3625 -6.3595 -6.3595 -2.1192 -2.1192 -1.4569 -1.4569 -1.3545 -1.3545 -1.2487 -1.2487 -1.1779 -1.1779 0.0235 0.0235 0.1482 0.1482 0.2156 0.2156 0.3878 0.3878 0.4965 0.4965 0.5035 0.5035 1.4488 1.4488 2.2233 2.2233 2.3848 2.3848 2.9817 2.9817 2.9869 2.9869 4.3897 4.3897 4.5257 4.5257 4.6747 4.6747 4.7768 4.7768 5.1035 5.1035 5.1055 5.1055 7.8843 7.8843 8.0905 8.0905 8.5101 8.5101 9.0340 9.0340 9.1228 9.1228 k = 0.4911 0.3692 0.0153 ( 5882 PWs) bands (ev): -7.6223 -7.6221 -6.9804 -6.9801 -6.3634 -6.3628 -6.3601 -6.3597 -2.1217 -2.1166 -1.4585 -1.4553 -1.3588 -1.3514 -1.2518 -1.2462 -1.1853 -1.1673 0.0155 0.0321 0.1426 0.1524 0.2142 0.2193 0.3821 0.3928 0.4936 0.4960 0.5023 0.5093 1.4484 1.4492 2.2183 2.2214 2.3830 2.3872 2.9802 2.9841 2.9870 2.9895 4.3742 4.3939 4.5123 4.5328 4.6599 4.6918 4.7733 4.7862 5.0915 5.0993 5.1072 5.1198 7.8847 7.8887 8.0925 8.0931 8.5054 8.5115 9.0108 9.0623 9.1225 9.1286 k = 0.4823 0.3816 0.0306 ( 5874 PWs) bands (ev): -7.6213 -7.6209 -6.9793 -6.9788 -6.3659 -6.3649 -6.3612 -6.3602 -2.1243 -2.1140 -1.4598 -1.4537 -1.3641 -1.3495 -1.2554 -1.2445 -1.1888 -1.1541 0.0080 0.0411 0.1359 0.1550 0.2153 0.2249 0.3757 0.3968 0.4881 0.4955 0.5048 0.5162 1.4479 1.4496 2.2066 2.2128 2.3817 2.3901 2.9782 2.9839 2.9932 2.9959 4.3505 4.3859 4.4940 4.5316 4.6522 4.7049 4.7787 4.7991 5.0800 5.0910 5.1079 5.1389 7.8900 7.8976 8.0992 8.1005 8.4977 8.5100 8.9952 9.0888 9.1317 9.1385 k = 0.4734 0.3941 0.0458 ( 5860 PWs) bands (ev): -7.6195 -7.6189 -6.9774 -6.9766 -6.3705 -6.3692 -6.3622 -6.3606 -2.1267 -2.1115 -1.4610 -1.4521 -1.3701 -1.3489 -1.2596 -1.2432 -1.1884 -1.1390 0.0013 0.0504 0.1285 0.1564 0.2188 0.2318 0.3689 0.3998 0.4824 0.4956 0.5086 0.5236 1.4474 1.4499 2.1888 2.1983 2.3810 2.3934 2.9749 2.9822 3.0035 3.0067 4.3214 4.3671 4.4717 4.5208 4.6521 4.7120 4.7889 4.8162 5.0661 5.0815 5.1106 5.1611 7.8996 7.9103 8.1104 8.1131 8.4881 8.5068 8.9878 9.1054 9.1455 9.1617 k = 0.4645 0.4065 0.0611 ( 5860 PWs) bands (ev): -7.6170 -7.6162 -6.9747 -6.9737 -6.3772 -6.3754 -6.3632 -6.3609 -2.1291 -2.1091 -1.4621 -1.4506 -1.3766 -1.3493 -1.2644 -1.2421 -1.1846 -1.1225 -0.0048 0.0599 0.1207 0.1570 0.2240 0.2396 0.3617 0.4016 0.4771 0.4964 0.5134 0.5314 1.4468 1.4500 2.1657 2.1785 2.3809 2.3973 2.9702 2.9794 3.0169 3.0208 4.2891 4.3407 4.4463 4.5017 4.6554 4.7160 4.7956 4.8383 5.0495 5.0706 5.1189 5.1860 7.9125 7.9257 8.1258 8.1314 8.4781 8.5031 8.9881 9.1156 9.1604 9.1972 k = 0.4556 0.4189 0.0764 ( 5858 PWs) bands (ev): -7.6137 -7.6128 -6.9712 -6.9700 -6.3856 -6.3835 -6.3642 -6.3614 -2.1313 -2.1067 -1.4629 -1.4494 -1.3832 -1.3504 -1.2695 -1.2407 -1.1782 -1.1049 -0.0100 0.0693 0.1129 0.1573 0.2306 0.2477 0.3545 0.4023 0.4722 0.4978 0.5190 0.5394 1.4461 1.4499 2.1382 2.1546 2.3814 2.4015 2.9641 2.9754 3.0327 3.0373 4.2551 4.3098 4.4191 4.4769 4.6569 4.7183 4.7965 4.8606 5.0329 5.0595 5.1333 5.2130 7.9279 7.9429 8.1453 8.1552 8.4697 8.5011 8.9949 9.1241 9.1822 9.2376 k = 0.4468 0.4314 0.0917 ( 5856 PWs) bands (ev): -7.6099 -7.6087 -6.9669 -6.9655 -6.3958 -6.3933 -6.3654 -6.3620 -2.1334 -2.1044 -1.4636 -1.4486 -1.3896 -1.3517 -1.2748 -1.2389 -1.1700 -1.0866 -0.0145 0.0786 0.1054 0.1578 0.2381 0.2557 0.3474 0.4019 0.4677 0.4998 0.5254 0.5478 1.4452 1.4496 2.1074 2.1275 2.3826 2.4062 2.9564 2.9701 3.0499 3.0553 4.2207 4.2769 4.3908 4.4482 4.6532 4.7180 4.7925 4.8773 5.0204 5.0507 5.1530 5.2415 7.9447 7.9612 8.1683 8.1833 8.4656 8.5028 9.0065 9.1325 9.2126 9.2827 k = 0.4379 0.4438 0.1070 ( 5860 PWs) bands (ev): -7.6054 -7.6041 -6.9619 -6.9602 -6.4074 -6.4046 -6.3666 -6.3627 -2.1353 -2.1023 -1.4642 -1.4484 -1.3957 -1.3529 -1.2801 -1.2368 -1.1604 -1.0679 -0.0181 0.0863 0.0995 0.1586 0.2461 0.2631 0.3408 0.4005 0.4637 0.5021 0.5324 0.5565 1.4441 1.4488 2.0741 2.0982 2.3845 2.4114 2.9472 2.9633 3.0677 3.0739 4.1867 4.2436 4.3621 4.4170 4.6427 4.7120 4.7857 4.8830 5.0157 5.0478 5.1767 5.2712 7.9623 7.9805 8.1936 8.2129 8.4690 8.5105 9.0217 9.1417 9.2518 9.3329 k = 0.4290 0.4563 0.1222 ( 5872 PWs) bands (ev): -7.6004 -7.5989 -6.9561 -6.9542 -6.4205 -6.4174 -6.3680 -6.3635 -2.1369 -2.1004 -1.4646 -1.4488 -1.4013 -1.3537 -1.2853 -1.2344 -1.1499 -1.0492 -0.0208 0.0864 0.1013 0.1599 0.2540 0.2697 0.3352 0.3982 0.4603 0.5047 0.5400 0.5656 1.4425 1.4477 2.0394 2.0675 2.3872 2.4171 2.9362 2.9550 3.0854 3.0925 4.1538 4.2111 4.3329 4.3839 4.6251 4.6977 4.7782 4.8768 5.0188 5.0535 5.2032 5.3015 7.9805 8.0006 8.2198 8.2405 8.4835 8.5264 9.0391 9.1516 9.2997 9.3884 k = 0.4201 0.4687 0.1375 ( 5884 PWs) bands (ev): -7.5949 -7.5932 -6.9496 -6.9475 -6.4349 -6.4314 -6.3696 -6.3646 -2.1384 -2.0985 -1.4650 -1.4498 -1.4063 -1.3537 -1.2903 -1.2319 -1.1387 -1.0307 -0.0226 0.0807 0.1091 0.1619 0.2609 0.2754 0.3313 0.3954 0.4574 0.5073 0.5477 0.5752 1.4404 1.4460 2.0038 2.0362 2.3909 2.4234 2.9235 2.9450 3.1023 3.1106 4.1226 4.1806 4.3033 4.3494 4.6010 4.6753 4.7708 4.8624 5.0263 5.0678 5.2315 5.3320 7.9993 8.0217 8.2452 8.2629 8.5121 8.5520 9.0581 9.1622 9.3555 9.4491 k = 0.4113 0.4811 0.1528 ( 5874 PWs) bands (ev): -7.5891 -7.5872 -6.9424 -6.9401 -6.4502 -6.4465 -6.3712 -6.3657 -2.1396 -2.0969 -1.4655 -1.4512 -1.4109 -1.3529 -1.2952 -1.2293 -1.1270 -1.0127 -0.0237 0.0744 0.1173 0.1644 0.2651 0.2811 0.3298 0.3920 0.4552 0.5101 0.5554 0.5855 1.4376 1.4439 1.9682 2.0049 2.3956 2.4304 2.9089 2.9334 3.1178 3.1276 4.0935 4.1528 4.2725 4.3136 4.5719 4.6479 4.7626 4.8440 5.0368 5.0871 5.2606 5.3624 8.0191 8.0435 8.2678 8.2807 8.5545 8.5877 9.0782 9.1733 9.4188 9.5148 k = 0.4024 0.4936 0.1681 ( 5858 PWs) bands (ev): -7.5829 -7.5809 -6.9346 -6.9320 -6.4665 -6.4624 -6.3730 -6.3670 -2.1406 -2.0954 -1.4660 -1.4526 -1.4152 -1.3511 -1.2998 -1.2268 -1.1151 -0.9954 -0.0238 0.0684 0.1253 0.1676 0.2653 0.2877 0.3309 0.3885 0.4536 0.5128 0.5629 0.5963 1.4340 1.4412 1.9332 1.9741 2.4014 2.4381 2.8925 2.9201 3.1314 3.1431 4.0667 4.1282 4.2397 4.2766 4.5401 4.6185 4.7529 4.8233 5.0500 5.1088 5.2899 5.3922 8.0400 8.0662 8.2842 8.2992 8.6081 8.6328 9.0991 9.1847 9.4889 9.5850 k = 0.3935 0.5060 0.1834 ( 5870 PWs) bands (ev): -7.5765 -7.5743 -6.9261 -6.9233 -6.4834 -6.4791 -6.3748 -6.3684 -2.1413 -2.0941 -1.4669 -1.4539 -1.4193 -1.3486 -1.3041 -1.2243 -1.1031 -0.9792 -0.0232 0.0628 0.1325 0.1714 0.2622 0.2946 0.3340 0.3850 0.4527 0.5154 0.5698 0.6076 1.4293 1.4379 1.8991 1.9441 2.4083 2.4467 2.8744 2.9052 3.1430 3.1567 4.0422 4.1073 4.2038 4.2388 4.5084 4.5900 4.7411 4.8012 5.0653 5.1311 5.3185 5.4209 8.0620 8.0894 8.2953 8.3207 8.6691 8.6860 9.1208 9.1962 9.5649 9.6596 k = 0.3846 0.5184 0.1986 ( 5867 PWs) bands (ev): -7.5701 -7.5678 -6.9170 -6.9140 -6.5008 -6.4962 -6.3768 -6.3700 -2.1417 -2.0929 -1.4680 -1.4546 -1.4232 -1.3454 -1.3082 -1.2218 -1.0911 -0.9642 -0.0219 0.0576 0.1388 0.1758 0.2575 0.3006 0.3387 0.3820 0.4526 0.5180 0.5764 0.6191 1.4237 1.4342 1.8665 1.9153 2.4165 2.4561 2.8548 2.8889 3.1522 3.1683 4.0194 4.0901 4.1638 4.2009 4.4794 4.5642 4.7272 4.7779 5.0821 5.1534 5.3461 5.4481 8.0850 8.1130 8.3057 8.3437 8.7343 8.7458 9.1435 9.2078 9.6463 9.7379 k = 0.3758 0.5309 0.2139 ( 5861 PWs) bands (ev): -7.5638 -7.5613 -6.9073 -6.9042 -6.5183 -6.5135 -6.3789 -6.3716 -2.1419 -2.0920 -1.4695 -1.4547 -1.4270 -1.3417 -1.3120 -1.2195 -1.0792 -0.9508 -0.0199 0.0530 0.1438 0.1808 0.2523 0.3047 0.3448 0.3798 0.4533 0.5204 0.5824 0.6307 1.4171 1.4299 1.8357 1.8879 2.4259 2.4664 2.8337 2.8715 3.1589 3.1777 3.9968 4.0757 4.1204 4.1640 4.4549 4.5426 4.7115 4.7537 5.1000 5.1753 5.3721 5.4733 8.1084 8.1364 8.3176 8.3680 8.8009 8.8108 9.1672 9.2198 9.7322 9.8197 k = 0.3669 0.5433 0.2292 ( 5863 PWs) bands (ev): -7.5577 -7.5550 -6.8971 -6.8938 -6.5358 -6.5308 -6.3811 -6.3734 -2.1418 -2.0912 -1.4711 -1.4543 -1.4307 -1.3378 -1.3153 -1.2173 -1.0676 -0.9391 -0.0172 0.0489 0.1472 0.1863 0.2473 0.3060 0.3522 0.3786 0.4547 0.5226 0.5881 0.6419 1.4096 1.4252 1.8067 1.8619 2.4365 2.4777 2.8114 2.8533 3.1633 3.1849 3.9716 4.0559 4.0821 4.1309 4.4359 4.5260 4.6944 4.7290 5.1184 5.1965 5.3960 5.4960 8.1317 8.1592 8.3324 8.3939 8.8677 8.8787 9.1923 9.2325 9.8221 9.9045 k = 0.3580 0.5558 0.2445 ( 5865 PWs) bands (ev): -7.5520 -7.5492 -6.8864 -6.8830 -6.5529 -6.5477 -6.3833 -6.3753 -2.1414 -2.0906 -1.4727 -1.4536 -1.4343 -1.3342 -1.3178 -1.2152 -1.0563 -0.9292 -0.0140 0.0453 0.1488 0.1922 0.2432 0.3045 0.3606 0.3787 0.4571 0.5246 0.5934 0.6526 1.4014 1.4202 1.7798 1.8373 2.4481 2.4897 2.7882 2.8346 3.1656 3.1901 3.9400 4.0115 4.0681 4.1060 4.4223 4.5145 4.6767 4.7047 5.1368 5.2168 5.4176 5.5160 8.1541 8.1809 8.3511 8.4215 8.9344 8.9467 9.2189 9.2464 9.9152 9.9917 k = 0.3491 0.5682 0.2597 ( 5865 PWs) bands (ev): -7.5468 -7.5440 -6.8753 -6.8718 -6.5693 -6.5640 -6.3857 -6.3774 -2.1408 -2.0902 -1.4742 -1.4525 -1.4376 -1.3317 -1.3187 -1.2133 -1.0456 -0.9214 -0.0103 0.0422 0.1484 0.1982 0.2402 0.3006 0.3686 0.3810 0.4602 0.5265 0.5984 0.6626 1.3928 1.4150 1.7549 1.8142 2.4606 2.5023 2.7644 2.8161 3.1662 3.1936 3.8999 3.9583 4.0622 4.0922 4.4135 4.5080 4.6592 4.6817 5.1547 5.2359 5.4364 5.5327 8.1744 8.2013 8.3740 8.4509 9.0002 9.0129 9.2457 9.2634 10.0107 10.0808 k = 0.3403 0.5806 0.2750 ( 5869 PWs) bands (ev): -7.5424 -7.5395 -6.8638 -6.8602 -6.5848 -6.5794 -6.3880 -6.3795 -2.1400 -2.0900 -1.4756 -1.4512 -1.4406 -1.3314 -1.3172 -1.2116 -1.0355 -0.9157 -0.0064 0.0396 0.1462 0.2039 0.2387 0.2950 0.3733 0.3877 0.4640 0.5282 0.6033 0.6716 1.3841 1.4099 1.7318 1.7923 2.4737 2.5152 2.7404 2.7981 3.1655 3.1958 3.8525 3.9027 4.0586 4.0884 4.4085 4.5059 4.6433 4.6616 5.1719 5.2535 5.4521 5.5459 8.1920 8.2206 8.4011 8.4817 9.0638 9.0763 9.2685 9.2882 10.1077 10.1710 k = 0.3314 0.5931 0.2903 ( 5873 PWs) bands (ev): -7.5390 -7.5360 -6.8520 -6.8483 -6.5991 -6.5935 -6.3905 -6.3817 -2.1390 -2.0900 -1.4771 -1.4497 -1.4433 -1.3327 -1.3137 -1.2100 -1.0260 -0.9121 -0.0023 0.0376 0.1428 0.2086 0.2386 0.2885 0.3751 0.3981 0.4683 0.5297 0.6080 0.6796 1.3756 1.4049 1.7105 1.7716 2.4869 2.5279 2.7165 2.7813 3.1642 3.1972 3.8005 3.8462 4.0571 4.0904 4.4062 4.5070 4.6305 4.6459 5.1877 5.2693 5.4646 5.5554 8.2065 8.2388 8.4319 8.5137 9.1238 9.1365 9.2879 9.3206 10.2046 10.2616 k = 0.3225 0.6055 0.3056 ( 5865 PWs) bands (ev): -7.5368 -7.5337 -6.8399 -6.8362 -6.6118 -6.6062 -6.3930 -6.3839 -2.1378 -2.0902 -1.4786 -1.4480 -1.4455 -1.3347 -1.3096 -1.2086 -1.0174 -0.9107 0.0017 0.0361 0.1385 0.2115 0.2398 0.2818 0.3761 0.4098 0.4731 0.5312 0.6126 0.6864 1.3676 1.4004 1.6908 1.7518 2.4997 2.5396 2.6934 2.7664 3.1628 3.1983 3.7465 3.7898 4.0570 4.0948 4.4057 4.5104 4.6226 4.6365 5.2020 5.2830 5.4736 5.5610 8.2181 8.2558 8.4653 8.5465 9.1792 9.1937 9.3076 9.3559 10.2993 10.3515 k = 0.3136 0.6179 0.3209 ( 5869 PWs) bands (ev): -7.5359 -7.5328 -6.8276 -6.8239 -6.6227 -6.6170 -6.3955 -6.3863 -2.1365 -2.0906 -1.4803 -1.4472 -1.4462 -1.3367 -1.3054 -1.2074 -1.0097 -0.9114 0.0053 0.0352 0.1339 0.2120 0.2416 0.2759 0.3770 0.4218 0.4781 0.5325 0.6171 0.6920 1.3603 1.3966 1.6725 1.7328 2.5116 2.5493 2.6720 2.7539 3.1616 3.1994 3.6924 3.7345 4.0570 4.0997 4.4067 4.5150 4.6208 4.6352 5.2142 5.2943 5.4790 5.5627 8.2276 8.2714 8.5004 8.5796 9.2300 9.2474 9.3290 9.3917 10.3882 10.4396 k = 0.3136 0.6179 0.3209 ( 5869 PWs) bands (ev): -7.5359 -7.5328 -6.8276 -6.8239 -6.6227 -6.6170 -6.3955 -6.3863 -2.1365 -2.0906 -1.4803 -1.4472 -1.4462 -1.3367 -1.3054 -1.2074 -1.0097 -0.9114 0.0053 0.0352 0.1339 0.2120 0.2416 0.2759 0.3770 0.4218 0.4781 0.5325 0.6171 0.6920 1.3603 1.3966 1.6725 1.7328 2.5116 2.5493 2.6720 2.7539 3.1616 3.1994 3.6924 3.7345 4.0570 4.0997 4.4067 4.5150 4.6208 4.6352 5.2142 5.2943 5.4790 5.5627 8.2276 8.2714 8.5004 8.5796 9.2300 9.2474 9.3290 9.3917 10.3882 10.4396 k = 0.2940 0.6124 0.3277 ( 5863 PWs) bands (ev): -7.5364 -7.5333 -6.8218 -6.8180 -6.6264 -6.6207 -6.3968 -6.3875 -2.1359 -2.0909 -1.4811 -1.4495 -1.4435 -1.3379 -1.3032 -1.2069 -1.0067 -0.9127 0.0068 0.0351 0.1318 0.2108 0.2427 0.2739 0.3775 0.4273 0.4805 0.5332 0.6184 0.6940 1.3577 1.3956 1.6655 1.7250 2.5144 2.5505 2.6637 2.7488 3.1612 3.1997 3.6675 3.7090 4.0588 4.1039 4.4082 4.5176 4.6230 4.6385 5.2159 5.2958 5.4822 5.5636 8.2316 8.2784 8.5165 8.5940 9.2454 9.2656 9.3481 9.4136 10.4247 10.4772 k = 0.2744 0.6068 0.3346 ( 5872 PWs) bands (ev): -7.5379 -7.5349 -6.8157 -6.8119 -6.6285 -6.6228 -6.3986 -6.3892 -2.1352 -2.0914 -1.4819 -1.4522 -1.4405 -1.3397 -1.3002 -1.2065 -1.0042 -0.9151 0.0083 0.0352 0.1292 0.2082 0.2443 0.2723 0.3784 0.4331 0.4832 0.5342 0.6187 0.6955 1.3563 1.3961 1.6602 1.7181 2.5124 2.5464 2.6575 2.7436 3.1603 3.1991 3.6419 3.6827 4.0649 4.1120 4.4112 4.5212 4.6271 4.6450 5.2122 5.2922 5.4872 5.5653 8.2356 8.2856 8.5332 8.6082 9.2520 9.2755 9.3823 9.4455 10.4589 10.5119 k = 0.2548 0.6012 0.3414 ( 5872 PWs) bands (ev): -7.5403 -7.5373 -6.8097 -6.8060 -6.6288 -6.6230 -6.4008 -6.3914 -2.1345 -2.0922 -1.4826 -1.4547 -1.4373 -1.3418 -1.2966 -1.2061 -1.0022 -0.9185 0.0099 0.0356 0.1261 0.2039 0.2463 0.2714 0.3795 0.4386 0.4864 0.5353 0.6184 0.6965 1.3565 1.3981 1.6562 1.7121 2.5055 2.5370 2.6537 2.7382 3.1580 3.1973 3.6177 3.6573 4.0749 4.1232 4.4161 4.5262 4.6326 4.6540 5.2047 5.2846 5.4921 5.5663 8.2391 8.2921 8.5511 8.6228 9.2564 9.2831 9.4232 9.4836 10.4913 10.5434 k = 0.2352 0.5957 0.3483 ( 5874 PWs) bands (ev): -7.5433 -7.5404 -6.8044 -6.8007 -6.6270 -6.6211 -6.4035 -6.3941 -2.1337 -2.0931 -1.4833 -1.4572 -1.4342 -1.3444 -1.2926 -1.2058 -1.0005 -0.9227 0.0116 0.0361 0.1226 0.1984 0.2487 0.2710 0.3809 0.4433 0.4901 0.5365 0.6178 0.6969 1.3585 1.4017 1.6533 1.7066 2.4940 2.5235 2.6512 2.7320 3.1539 3.1937 3.5966 3.6347 4.0881 4.1366 4.4226 4.5324 4.6396 4.6650 5.1948 5.2739 5.4954 5.5651 8.2419 8.2974 8.5702 8.6383 9.2630 9.2920 9.4662 9.5249 10.5226 10.5718 k = 0.2156 0.5901 0.3551 ( 5879 PWs) bands (ev): -7.5467 -7.5440 -6.7999 -6.7964 -6.6231 -6.6171 -6.4067 -6.3973 -2.1328 -2.0943 -1.4839 -1.4596 -1.4309 -1.3473 -1.2882 -1.2056 -0.9991 -0.9277 0.0134 0.0369 0.1186 0.1918 0.2512 0.2711 0.3827 0.4469 0.4946 0.5376 0.6177 0.6968 1.3626 1.4069 1.6513 1.7015 2.4788 2.5076 2.6485 2.7246 3.1475 3.1882 3.5799 3.6162 4.1037 4.1515 4.4304 4.5389 4.6484 4.6784 5.1835 5.2612 5.4955 5.5606 8.2436 8.3007 8.5908 8.6551 9.2737 9.3040 9.5093 9.5678 10.5536 10.5975 k = 0.1960 0.5845 0.3620 ( 5879 PWs) bands (ev): -7.5504 -7.5479 -6.7964 -6.7932 -6.6172 -6.6111 -6.4104 -6.4011 -2.1318 -2.0956 -1.4844 -1.4620 -1.4276 -1.3504 -1.2836 -1.2055 -0.9980 -0.9333 0.0154 0.0380 0.1143 0.1843 0.2538 0.2714 0.3847 0.4491 0.4995 0.5384 0.6185 0.6961 1.3688 1.4136 1.6498 1.6966 2.4611 2.4903 2.6447 2.7154 3.1393 3.1809 3.5682 3.6026 4.1206 4.1671 4.4390 4.5448 4.6601 4.6943 5.1718 5.2471 5.4918 5.5521 8.2445 8.3019 8.6125 8.6729 9.2892 9.3198 9.5515 9.6115 10.5843 10.6207 k = 0.1764 0.5789 0.3688 ( 5874 PWs) bands (ev): -7.5542 -7.5519 -6.7941 -6.7910 -6.6094 -6.6032 -6.4147 -6.4055 -2.1307 -2.0971 -1.4847 -1.4643 -1.4242 -1.3537 -1.2786 -1.2057 -0.9971 -0.9393 0.0176 0.0394 0.1098 0.1763 0.2564 0.2719 0.3871 0.4499 0.5045 0.5388 0.6206 0.6951 1.3770 1.4217 1.6485 1.6918 2.4422 2.4723 2.6392 2.7038 3.1302 3.1721 3.5611 3.5938 4.1382 4.1827 4.4480 4.5491 4.6753 4.7133 5.1602 5.2324 5.4836 5.5394 8.2446 8.3008 8.6351 8.6914 9.3093 9.3395 9.5924 9.6553 10.6144 10.6421 k = 0.1568 0.5734 0.3756 ( 5870 PWs) bands (ev): -7.5580 -7.5559 -6.7926 -6.7899 -6.6001 -6.5938 -6.4196 -6.4105 -2.1295 -2.0988 -1.4848 -1.4665 -1.4208 -1.3573 -1.2734 -1.2063 -0.9963 -0.9455 0.0199 0.0411 0.1052 0.1679 0.2589 0.2724 0.3898 0.4496 0.5094 0.5388 0.6242 0.6937 1.3870 1.4308 1.6473 1.6869 2.4232 2.4540 2.6320 2.6899 3.1212 3.1625 3.5582 3.5890 4.1556 4.1977 4.4569 4.5515 4.6944 4.7354 5.1493 5.2175 5.4709 5.5222 8.2445 8.2980 8.6578 8.7099 9.3336 9.3628 9.6320 9.6988 10.6417 10.6630 k = 0.1372 0.5678 0.3825 ( 5872 PWs) bands (ev): -7.5616 -7.5597 -6.7919 -6.7895 -6.5897 -6.5832 -6.4250 -6.4161 -2.1282 -2.1007 -1.4849 -1.4686 -1.4173 -1.3611 -1.2680 -1.2072 -0.9956 -0.9518 0.0224 0.0430 0.1007 0.1592 0.2614 0.2729 0.3928 0.4481 0.5138 0.5384 0.6292 0.6921 1.3984 1.4406 1.6460 1.6818 2.4051 2.4359 2.6233 2.6740 3.1134 3.1528 3.5585 3.5872 4.1724 4.2115 4.4656 4.5520 4.7171 4.7603 5.1399 5.2031 5.4540 5.5009 8.2443 8.2937 8.6801 8.7276 9.3608 9.3886 9.6702 9.7414 10.6618 10.6868 k = 0.1176 0.5622 0.3893 ( 5874 PWs) bands (ev): -7.5648 -7.5632 -6.7918 -6.7897 -6.5785 -6.5721 -6.4309 -6.4222 -2.1267 -2.1026 -1.4847 -1.4706 -1.4137 -1.3650 -1.2625 -1.2087 -0.9949 -0.9579 0.0250 0.0449 0.0967 0.1504 0.2636 0.2733 0.3962 0.4458 0.5177 0.5378 0.6351 0.6901 1.4110 1.4507 1.6445 1.6764 2.3886 2.4184 2.6138 2.6569 3.1073 3.1435 3.5612 3.5874 4.1880 4.2235 4.4741 4.5508 4.7426 4.7868 5.1324 5.1899 5.4334 5.4759 8.2443 8.2886 8.7014 8.7437 9.3898 9.4159 9.7073 9.7822 10.6740 10.7125 k = 0.0980 0.5566 0.3962 ( 5867 PWs) bands (ev): -7.5678 -7.5664 -6.7919 -6.7902 -6.5671 -6.5607 -6.4372 -6.4289 -2.1251 -2.1047 -1.4844 -1.4726 -1.4100 -1.3691 -1.2568 -1.2106 -0.9941 -0.9638 0.0277 0.0467 0.0935 0.1416 0.2657 0.2736 0.3998 0.4426 0.5210 0.5370 0.6417 0.6880 1.4241 1.4605 1.6430 1.6708 2.3742 2.4019 2.6043 2.6397 3.1031 3.1349 3.5654 3.5886 4.2020 4.2333 4.4824 4.5485 4.7698 4.8135 5.1278 5.1784 5.4101 5.4481 8.2449 8.2830 8.7211 8.7575 9.4187 9.4428 9.7435 9.8198 10.6812 10.7360 k = 0.0784 0.5511 0.4030 ( 5866 PWs) bands (ev): -7.5702 -7.5691 -6.7923 -6.7909 -6.5558 -6.5497 -6.4436 -6.4359 -2.1234 -2.1068 -1.4839 -1.4744 -1.4062 -1.3732 -1.2511 -1.2132 -0.9931 -0.9692 0.0306 0.0479 0.0917 0.1330 0.2676 0.2738 0.4036 0.4389 0.5238 0.5362 0.6484 0.6855 1.4374 1.4691 1.6415 1.6650 2.3625 2.3867 2.5956 2.6234 3.1008 3.1272 3.5704 3.5899 4.2143 4.2406 4.4909 4.5452 4.7972 4.8381 5.1268 5.1695 5.3856 5.4185 8.2460 8.2773 8.7386 8.7685 9.4461 9.4675 9.7787 9.8522 10.6857 10.7538 k = 0.0588 0.5455 0.4099 ( 5870 PWs) bands (ev): -7.5722 -7.5713 -6.7926 -6.7916 -6.5452 -6.5396 -6.4497 -6.4429 -2.1216 -2.1090 -1.4832 -1.4761 -1.4023 -1.3774 -1.2453 -1.2163 -0.9918 -0.9741 0.0336 0.0481 0.0917 0.1246 0.2692 0.2738 0.4077 0.4347 0.5262 0.5352 0.6549 0.6828 1.4501 1.4759 1.6405 1.6591 2.3538 2.3734 2.5885 2.6090 3.1001 3.1205 3.5756 3.5908 4.2248 4.2452 4.4994 4.5411 4.8230 4.8582 5.1300 5.1636 5.3619 5.3888 8.2479 8.2717 8.7535 8.7764 9.4702 9.4881 9.8123 9.8772 10.6902 10.7624 k = 0.0392 0.5399 0.4167 ( 5871 PWs) bands (ev): -7.5735 -7.5730 -6.7929 -6.7922 -6.5360 -6.5314 -6.4550 -6.4496 -2.1196 -2.1112 -1.4824 -1.4776 -1.3983 -1.3817 -1.2397 -1.2201 -0.9901 -0.9785 0.0366 0.0472 0.0937 0.1167 0.2706 0.2736 0.4120 0.4303 0.5283 0.5342 0.6610 0.6796 1.4615 1.4799 1.6403 1.6535 2.3486 2.3624 2.5838 2.5972 3.1009 3.1147 3.5805 3.5910 4.2332 4.2472 4.5078 4.5361 4.8456 4.8717 5.1369 5.1602 5.3419 5.3614 8.2504 8.2665 8.7655 8.7811 9.4898 9.5028 9.8432 9.8922 10.6977 10.7595 k = 0.0196 0.5343 0.4236 ( 5872 PWs) bands (ev): -7.5743 -7.5740 -6.7930 -6.7927 -6.5289 -6.5263 -6.4582 -6.4551 -2.1176 -2.1133 -1.4815 -1.4790 -1.3942 -1.3859 -1.2343 -1.2244 -0.9880 -0.9822 0.0397 0.0452 0.0976 0.1094 0.2717 0.2732 0.4165 0.4257 0.5301 0.5330 0.6666 0.6759 1.4708 1.4805 1.6416 1.6484 2.3469 2.3540 2.5821 2.5887 3.1029 3.1098 3.5847 3.5900 4.2398 4.2469 4.5160 4.5303 4.8630 4.8770 5.1457 5.1576 5.3295 5.3400 8.2536 8.2617 8.7744 8.7823 9.5036 9.5105 9.8691 9.8957 10.7104 10.7463 k = 0.0000 0.5288 0.4304 ( 5872 PWs) bands (ev): -7.5745 -7.5745 -6.7930 -6.7930 -6.5254 -6.5254 -6.4583 -6.4583 -2.1155 -2.1155 -1.4803 -1.4803 -1.3901 -1.3901 -1.2291 -1.2291 -0.9854 -0.9854 0.0426 0.0426 0.1029 0.1029 0.2726 0.2726 0.4211 0.4211 0.5317 0.5317 0.6716 0.6716 1.4774 1.4774 1.6443 1.6443 2.3487 2.3487 2.5836 2.5836 3.1059 3.1059 3.5879 3.5879 4.2444 4.2444 4.5235 4.5235 4.8739 4.8739 5.1532 5.1532 5.3285 5.3285 8.2574 8.2574 8.7801 8.7801 9.5107 9.5107 9.8875 9.8875 10.7278 10.7278 k = 0.0000 0.5288 0.4304 ( 5872 PWs) bands (ev): -7.5745 -7.5745 -6.7930 -6.7930 -6.5254 -6.5254 -6.4583 -6.4583 -2.1155 -2.1155 -1.4803 -1.4803 -1.3901 -1.3901 -1.2291 -1.2291 -0.9854 -0.9854 0.0426 0.0426 0.1029 0.1029 0.2726 0.2726 0.4211 0.4211 0.5317 0.5317 0.6716 0.6716 1.4774 1.4774 1.6443 1.6443 2.3487 2.3487 2.5836 2.5836 3.1059 3.1059 3.5879 3.5879 4.2444 4.2444 4.5235 4.5235 4.8739 4.8739 5.1532 5.1532 5.3285 5.3285 8.2574 8.2574 8.7801 8.7801 9.5107 9.5107 9.8875 9.8875 10.7278 10.7278 k = 0.0089 0.5162 0.4458 ( 5874 PWs) bands (ev): -7.5743 -7.5740 -6.7929 -6.7926 -6.5256 -6.5253 -6.4589 -6.4586 -2.1173 -2.1128 -1.4819 -1.4786 -1.3919 -1.3881 -1.2340 -1.2243 -0.9915 -0.9799 0.0408 0.0444 0.0993 0.1069 0.2704 0.2745 0.4159 0.4261 0.5295 0.5340 0.6623 0.6786 1.4662 1.4812 1.6316 1.6467 2.3493 2.3584 2.5833 2.5897 3.1017 3.1136 3.5827 3.5909 4.2372 4.2524 4.5231 4.5295 4.8722 4.8794 5.1497 5.1593 5.3231 5.3326 8.2508 8.2586 8.7732 8.7822 9.5004 9.5130 9.8862 9.8942 10.7208 10.7304 k = 0.0179 0.5037 0.4612 ( 5874 PWs) bands (ev): -7.5735 -7.5727 -6.7924 -6.7918 -6.5260 -6.5255 -6.4605 -6.4598 -2.1184 -2.1094 -1.4834 -1.4768 -1.3935 -1.3860 -1.2387 -1.2196 -0.9981 -0.9751 0.0390 0.0461 0.0961 0.1113 0.2680 0.2762 0.4107 0.4308 0.5275 0.5366 0.6512 0.6833 1.4476 1.4772 1.6098 1.6398 2.3590 2.3760 2.5894 2.6023 3.1013 3.1246 3.5757 3.5917 4.2318 4.2609 4.5284 4.5405 4.8741 4.8886 5.1490 5.1681 5.3163 5.3357 8.2391 8.2545 8.7618 8.7796 9.4826 9.5067 9.8906 9.9058 10.7104 10.7288 k = 0.0268 0.4912 0.4765 ( 5872 PWs) bands (ev): -7.5719 -7.5708 -6.7914 -6.7905 -6.5267 -6.5258 -6.4630 -6.4620 -2.1186 -2.1052 -1.4847 -1.4749 -1.3949 -1.3838 -1.2433 -1.2150 -1.0051 -0.9710 0.0371 0.0478 0.0934 0.1159 0.2655 0.2776 0.4055 0.4352 0.5255 0.5394 0.6386 0.6856 1.4217 1.4640 1.5822 1.6262 2.3742 2.3969 2.6040 2.6232 3.1044 3.1380 3.5675 3.5908 4.2291 4.2697 4.5392 4.5559 4.8790 4.9006 5.1515 5.1794 5.3081 5.3381 8.2232 8.2451 8.7461 8.7718 9.4578 9.4915 9.9002 9.9215 10.6985 10.7239 k = 0.0357 0.4787 0.4919 ( 5876 PWs) bands (ev): -7.5697 -7.5682 -6.7901 -6.7889 -6.5275 -6.5264 -6.4664 -6.4651 -2.1180 -2.1002 -1.4860 -1.4730 -1.3962 -1.3814 -1.2477 -1.2107 -1.0124 -0.9677 0.0353 0.0494 0.0910 0.1208 0.2627 0.2786 0.4003 0.4391 0.5235 0.5426 0.6249 0.6856 1.3888 1.4403 1.5530 1.6084 2.3905 2.4161 2.6296 2.6543 3.1103 3.1529 3.5592 3.5889 4.2298 4.2792 4.5548 4.5750 4.8857 4.9143 5.1576 5.1934 5.2985 5.3405 8.2036 8.2311 8.7261 8.7589 9.4263 9.4675 9.9144 9.9406 10.6873 10.7175 k = 0.0446 0.4662 0.5073 ( 5876 PWs) bands (ev): -7.5668 -7.5649 -6.7883 -6.7868 -6.5284 -6.5271 -6.4707 -6.4691 -2.1165 -2.0945 -1.4871 -1.4710 -1.3972 -1.3790 -1.2519 -1.2070 -1.0199 -0.9650 0.0337 0.0509 0.0891 0.1259 0.2598 0.2794 0.3953 0.4425 0.5213 0.5459 0.6106 0.6835 1.3498 1.4055 1.5251 1.5881 2.4041 2.4305 2.6669 2.6959 3.1185 3.1683 3.5521 3.5871 4.2345 4.2899 4.5741 4.5975 4.8932 4.9283 5.1679 5.2093 5.2879 5.3439 8.1814 8.2132 8.7017 8.7408 9.3882 9.4346 9.9324 9.9624 10.6780 10.7109 k = 0.0536 0.4537 0.5227 ( 5874 PWs) bands (ev): -7.5632 -7.5611 -6.7861 -6.7844 -6.5296 -6.5281 -6.4758 -6.4739 -2.1143 -2.0882 -1.4880 -1.4689 -1.3981 -1.3765 -1.2558 -1.2038 -1.0273 -0.9630 0.0321 0.0525 0.0875 0.1310 0.2567 0.2797 0.3904 0.4454 0.5187 0.5493 0.5965 0.6794 1.3062 1.3619 1.4986 1.5659 2.4135 2.4398 2.7145 2.7467 3.1281 3.1833 3.5479 3.5867 4.2433 4.3023 4.5960 4.6228 4.9005 4.9414 5.1824 5.2262 5.2768 5.3499 8.1573 8.1923 8.6731 8.7177 9.3435 9.3934 9.9536 9.9862 10.6714 10.7053 k = 0.0625 0.4412 0.5380 ( 5874 PWs) bands (ev): -7.5591 -7.5566 -6.7836 -6.7815 -6.5310 -6.5293 -6.4816 -6.4794 -2.1113 -2.0813 -1.4888 -1.4668 -1.3989 -1.3740 -1.2594 -1.2015 -1.0344 -0.9617 0.0307 0.0541 0.0864 0.1360 0.2534 0.2796 0.3858 0.4475 0.5157 0.5518 0.5839 0.6737 1.2597 1.3127 1.4722 1.5419 2.4187 2.4452 2.7696 2.8043 3.1388 3.1974 3.5478 3.5889 4.2562 4.3166 4.6197 4.6505 4.9070 4.9525 5.1996 5.2412 5.2679 5.3604 8.1324 8.1693 8.6404 8.6899 9.2924 9.3443 9.9772 10.0115 10.6669 10.7014 k = 0.0714 0.4287 0.5534 ( 5870 PWs) bands (ev): -7.5544 -7.5515 -6.7807 -6.7784 -6.5326 -6.5307 -6.4881 -6.4857 -2.1076 -2.0738 -1.4895 -1.4647 -1.3995 -1.3716 -1.2627 -1.2001 -1.0411 -0.9610 0.0295 0.0557 0.0856 0.1410 0.2499 0.2791 0.3814 0.4489 0.5119 0.5511 0.5757 0.6668 1.2117 1.2607 1.4448 1.5159 2.4201 2.4472 2.8291 2.8660 3.1503 3.2108 3.5529 3.5950 4.2728 4.3329 4.6441 4.6797 4.9124 4.9616 5.2155 5.2444 5.2734 5.3772 8.1072 8.1450 8.6037 8.6575 9.2353 9.2881 10.0029 10.0381 10.6637 10.6995 k = 0.0804 0.4161 0.5688 ( 5868 PWs) bands (ev): -7.5491 -7.5460 -6.7775 -6.7749 -6.5343 -6.5323 -6.4952 -6.4927 -2.1031 -2.0658 -1.4901 -1.4626 -1.4000 -1.3693 -1.2656 -1.2000 -1.0472 -0.9608 0.0286 0.0575 0.0851 0.1457 0.2463 0.2782 0.3773 0.4494 0.5071 0.5448 0.5745 0.6592 1.1634 1.2079 1.4159 1.4880 2.4181 2.4460 2.8907 2.9298 3.1627 3.2244 3.5636 3.6057 4.2927 4.3507 4.6684 4.7097 4.9170 4.9688 5.2207 5.2427 5.2951 5.4006 8.0827 8.1205 8.5632 8.6212 9.1727 9.2258 10.0304 10.0657 10.6607 10.6991 k = 0.0893 0.4036 0.5842 ( 5868 PWs) bands (ev): -7.5434 -7.5399 -6.7739 -6.7711 -6.5363 -6.5342 -6.5028 -6.5002 -2.0981 -2.0574 -1.4905 -1.4605 -1.4004 -1.3672 -1.2681 -1.2012 -1.0526 -0.9609 0.0278 0.0593 0.0851 0.1500 0.2425 0.2768 0.3734 0.4489 0.5015 0.5360 0.5772 0.6515 1.1157 1.1557 1.3853 1.4584 2.4128 2.4414 2.9525 2.9942 3.1766 3.2397 3.5797 3.6213 4.3154 4.3696 4.6918 4.7391 4.9211 4.9747 5.2136 5.2471 5.3246 5.4291 8.0592 8.0962 8.5193 8.5812 9.1052 9.1584 10.0592 10.0940 10.6577 10.6997 k = 0.0982 0.3911 0.5995 ( 5864 PWs) bands (ev): -7.5372 -7.5335 -6.7701 -6.7671 -6.5385 -6.5364 -6.5108 -6.5081 -2.0924 -2.0487 -1.4908 -1.4585 -1.4007 -1.3653 -1.2702 -1.2036 -1.0572 -0.9612 0.0272 0.0613 0.0855 0.1538 0.2384 0.2750 0.3699 0.4470 0.4953 0.5272 0.5808 0.6444 1.0691 1.1053 1.3532 1.4272 2.4040 2.4330 3.0128 3.0577 3.1925 3.2583 3.6005 3.6420 4.3403 4.3888 4.7131 4.7670 4.9255 4.9796 5.2049 5.2524 5.3586 5.4610 8.0373 8.0729 8.4724 8.5380 9.0338 9.0869 10.0891 10.1227 10.6544 10.7005 k = 0.1071 0.3786 0.6149 ( 5868 PWs) bands (ev): -7.5306 -7.5267 -6.7661 -6.7629 -6.5409 -6.5390 -6.5190 -6.5164 -2.0861 -2.0398 -1.4909 -1.4566 -1.4010 -1.3637 -1.2720 -1.2072 -1.0611 -0.9617 0.0267 0.0634 0.0863 0.1570 0.2343 0.2730 0.3666 0.4437 0.4892 0.5188 0.5834 0.6391 1.0238 1.0579 1.3200 1.3950 2.3916 2.4208 3.0704 3.1195 3.2111 3.2817 3.6251 3.6671 4.3665 4.4073 4.7315 4.7925 4.9303 4.9839 5.1991 5.2587 5.3946 5.4947 8.0172 8.0511 8.4229 8.4920 8.9592 9.0126 10.1198 10.1516 10.6512 10.7013 k = 0.1161 0.3661 0.6303 ( 5866 PWs) bands (ev): -7.5238 -7.5196 -6.7619 -6.7585 -6.5437 -6.5420 -6.5271 -6.5247 -2.0794 -2.0307 -1.4910 -1.4547 -1.4013 -1.3626 -1.2733 -1.2117 -1.0646 -0.9620 0.0264 0.0655 0.0878 0.1595 0.2300 0.2707 0.3634 0.4387 0.4839 0.5106 0.5836 0.6370 0.9798 1.0145 1.2859 1.3622 2.3755 2.4050 3.1247 3.1789 3.2332 3.3105 3.6526 3.6960 4.3934 4.4241 4.7459 4.8158 4.9348 4.9879 5.1983 5.2675 5.4314 5.5291 7.9992 8.0309 8.3714 8.4438 8.8826 8.9363 10.1509 10.1805 10.6484 10.7022 k = 0.1250 0.3536 0.6456 ( 5878 PWs) bands (ev): -7.5167 -7.5123 -6.7576 -6.7540 -6.5474 -6.5456 -6.5350 -6.5326 -2.0723 -2.0216 -1.4909 -1.4529 -1.4016 -1.3620 -1.2744 -1.2167 -1.0679 -0.9620 0.0263 0.0675 0.0899 0.1613 0.2256 0.2684 0.3604 0.4322 0.4796 0.5021 0.5806 0.6388 0.9372 0.9760 1.2514 1.3291 2.3558 2.3859 3.1758 3.2346 3.2597 3.3444 3.6819 3.7276 4.4194 4.4378 4.7564 4.8379 4.9379 4.9922 5.2037 5.2801 5.4677 5.5635 7.9832 8.0126 8.3186 8.3939 8.8048 8.8590 10.1820 10.2091 10.6464 10.7037 k = 0.1339 0.3411 0.6610 ( 5868 PWs) bands (ev): -7.5095 -7.5049 -6.7532 -6.7495 -6.5530 -6.5495 -6.5427 -6.5389 -2.0648 -2.0125 -1.4908 -1.4513 -1.4020 -1.3620 -1.2752 -1.2218 -1.0714 -0.9616 0.0263 0.0695 0.0928 0.1621 0.2214 0.2662 0.3574 0.4246 0.4762 0.4932 0.5752 0.6439 0.8965 0.9426 1.2169 1.2963 2.3328 2.3644 3.2243 3.2807 3.2965 3.3821 3.7120 3.7608 4.4418 4.4485 4.7637 4.8603 4.9386 4.9972 5.2152 5.2967 5.5031 5.5975 7.9693 7.9963 8.2651 8.3428 8.7268 8.7815 10.2127 10.2371 10.6458 10.7061 k = 0.1429 0.3285 0.6764 ( 5862 PWs) bands (ev): -7.5022 -7.4975 -6.7488 -6.7450 -6.5601 -6.5551 -6.5487 -6.5436 -2.0570 -2.0036 -1.4906 -1.4497 -1.4025 -1.3627 -1.2758 -1.2266 -1.0751 -0.9608 0.0264 0.0712 0.0964 0.1620 0.2173 0.2642 0.3543 0.4161 0.4734 0.4839 0.5685 0.6513 0.8582 0.9140 1.1828 1.2642 2.3072 2.3412 3.2712 3.3156 3.3448 3.4221 3.7418 3.7945 4.4489 4.4644 4.7702 4.8835 4.9383 5.0030 5.2314 5.3171 5.5369 5.6310 7.9571 7.9817 8.2117 8.2911 8.6496 8.7047 10.2423 10.2645 10.6473 10.7099 k = 0.1518 0.3160 0.6918 ( 5868 PWs) bands (ev): -7.4949 -7.4901 -6.7445 -6.7406 -6.5679 -6.5626 -6.5529 -6.5475 -2.0492 -1.9949 -1.4904 -1.4483 -1.4030 -1.3642 -1.2762 -1.2307 -1.0792 -0.9594 0.0267 0.0728 0.1005 0.1610 0.2135 0.2626 0.3510 0.4070 0.4703 0.4745 0.5616 0.6600 0.8229 0.8898 1.1495 1.2331 2.2798 2.3168 3.3168 3.3508 3.3931 3.4631 3.7702 3.8276 4.4460 4.4765 4.7791 4.9044 4.9425 5.0095 5.2502 5.3400 5.5689 5.6639 7.9463 7.9688 8.1594 8.2397 8.5741 8.6292 10.2700 10.2912 10.6515 10.7156 k = 0.1607 0.3035 0.7071 ( 5866 PWs) bands (ev): -7.4877 -7.4828 -6.7402 -6.7364 -6.5757 -6.5704 -6.5563 -6.5512 -2.0412 -1.9867 -1.4902 -1.4469 -1.4037 -1.3666 -1.2764 -1.2338 -1.0839 -0.9576 0.0272 0.0741 0.1048 0.1594 0.2102 0.2613 0.3475 0.3972 0.4629 0.4692 0.5552 0.6695 0.7911 0.8697 1.1175 1.2033 2.2514 2.2922 3.3610 3.3880 3.4397 3.5041 3.7965 3.8590 4.4360 4.4793 4.7932 4.9149 4.9612 5.0170 5.2694 5.3641 5.5990 5.6961 7.9364 7.9570 8.1093 8.1895 8.5012 8.5559 10.2953 10.3169 10.6588 10.7234 k = 0.1696 0.2910 0.7225 ( 5866 PWs) bands (ev): -7.4808 -7.4759 -6.7362 -6.7324 -6.5831 -6.5779 -6.5597 -6.5546 -2.0334 -1.9789 -1.4899 -1.4456 -1.4046 -1.3699 -1.2765 -1.2358 -1.0890 -0.9555 0.0279 0.0753 0.1090 0.1578 0.2074 0.2606 0.3437 0.3871 0.4526 0.4664 0.5498 0.6792 0.7631 0.8532 1.0872 1.1753 2.2230 2.2678 3.4031 3.4272 3.4846 3.5447 3.8199 3.8881 4.4190 4.4713 4.8135 4.9191 4.9910 5.0264 5.2872 5.3874 5.6273 5.7276 7.9261 7.9460 8.0628 8.1418 8.4318 8.4854 10.3176 10.3414 10.6697 10.7334 k = 0.1786 0.2785 0.7379 ( 5866 PWs) bands (ev): -7.4742 -7.4692 -6.7325 -6.7288 -6.5899 -6.5847 -6.5629 -6.5581 -2.0257 -1.9718 -1.4896 -1.4443 -1.4055 -1.3738 -1.2763 -1.2369 -1.0944 -0.9531 0.0288 0.0763 0.1121 0.1567 0.2050 0.2605 0.3395 0.3765 0.4420 0.4635 0.5459 0.6884 0.7393 0.8398 1.0588 1.1492 2.1953 2.2442 3.4423 3.4676 3.5280 3.5844 3.8402 3.9146 4.3955 4.4534 4.8383 4.9250 5.0204 5.0425 5.3022 5.4080 5.6541 5.7580 7.9138 7.9350 8.0220 8.0980 8.3668 8.4185 10.3369 10.3640 10.6843 10.7458 k = 0.1875 0.2660 0.7533 ( 5872 PWs) bands (ev): -7.4681 -7.4631 -6.7291 -6.7256 -6.5960 -6.5908 -6.5661 -6.5614 -2.0184 -1.9654 -1.4894 -1.4429 -1.4067 -1.3781 -1.2757 -1.2371 -1.0999 -0.9506 0.0300 0.0770 0.1136 0.1572 0.2032 0.2610 0.3350 0.3658 0.4315 0.4604 0.5436 0.6949 0.7216 0.8290 1.0329 1.1254 2.1691 2.2221 3.4786 3.5075 3.5698 3.6231 3.8577 3.9385 4.3661 4.4272 4.8635 4.9369 5.0374 5.0745 5.3136 5.4243 5.6795 5.7870 7.8976 7.9225 7.9894 8.0603 8.3069 8.3561 10.3532 10.3839 10.7023 10.7603 k = 0.1964 0.2535 0.7686 ( 5866 PWs) bands (ev): -7.4625 -7.4575 -6.7262 -6.7228 -6.6013 -6.5960 -6.5691 -6.5647 -2.0116 -1.9597 -1.4892 -1.4414 -1.4082 -1.3826 -1.2749 -1.2367 -1.1054 -0.9482 0.0315 0.0774 0.1131 0.1597 0.2019 0.2621 0.3303 0.3551 0.4214 0.4573 0.5430 0.6910 0.7170 0.8204 1.0097 1.1041 2.1451 2.2019 3.5121 3.5451 3.6097 3.6600 3.8735 3.9606 4.3317 4.3948 4.8838 4.9580 5.0497 5.1130 5.3209 5.4351 5.7035 5.8140 7.8767 7.9065 7.9673 8.0305 8.2530 8.2989 10.3667 10.4008 10.7231 10.7768 k = 0.2054 0.2409 0.7840 ( 5872 PWs) bands (ev): -7.4576 -7.4526 -6.7237 -6.7206 -6.6056 -6.6002 -6.5719 -6.5677 -2.0054 -1.9549 -1.4891 -1.4398 -1.4101 -1.3869 -1.2739 -1.2360 -1.1106 -0.9459 0.0333 0.0772 0.1111 0.1636 0.2011 0.2638 0.3255 0.3447 0.4119 0.4541 0.5438 0.6794 0.7225 0.8136 0.9896 1.0855 2.1237 2.1840 3.5426 3.5787 3.6467 3.6936 3.8895 3.9818 4.2933 4.3580 4.8976 4.9865 5.0624 5.1517 5.3245 5.4399 5.7257 5.8383 7.8538 7.8858 7.9546 8.0092 8.2059 8.2480 10.3776 10.4144 10.7449 10.7948 k = 0.2143 0.2284 0.7994 ( 5874 PWs) bands (ev): -7.4534 -7.4484 -6.7218 -6.7189 -6.6091 -6.6035 -6.5743 -6.5705 -2.0000 -1.9510 -1.4890 -1.4379 -1.4125 -1.3905 -1.2728 -1.2350 -1.1153 -0.9439 0.0352 0.0765 0.1086 0.1682 0.2009 0.2660 0.3206 0.3350 0.4036 0.4513 0.5456 0.6683 0.7291 0.8083 0.9728 1.0698 2.1056 2.1688 3.5698 3.6073 3.6795 3.7219 3.9085 4.0034 4.2523 4.3185 4.9073 5.0157 5.0775 5.1877 5.3255 5.4383 5.7453 5.8592 7.8323 7.8632 7.9481 7.9949 8.1661 8.2043 10.3861 10.4250 10.7657 10.8137 k = 0.2232 0.2159 0.8147 ( 5878 PWs) bands (ev): -7.4500 -7.4451 -6.7203 -6.7177 -6.6116 -6.6058 -6.5763 -6.5730 -1.9956 -1.9479 -1.4889 -1.4357 -1.4155 -1.3933 -1.2717 -1.2340 -1.1193 -0.9423 0.0373 0.0752 0.1062 0.1724 0.2012 0.2686 0.3158 0.3267 0.3967 0.4488 0.5478 0.6593 0.7349 0.8044 0.9597 1.0572 2.0910 2.1567 3.5930 3.6301 3.7066 3.7422 3.9332 4.0260 4.2104 4.2774 4.9145 5.0387 5.0975 5.2170 5.3270 5.4307 5.7617 5.8763 7.8147 7.8418 7.9450 7.9854 8.1345 8.1690 10.3925 10.4327 10.7833 10.8319 k = 0.2321 0.2034 0.8301 ( 5872 PWs) bands (ev): -7.4475 -7.4426 -6.7193 -6.7168 -6.6133 -6.6073 -6.5779 -6.5749 -1.9923 -1.9458 -1.4888 -1.4332 -1.4188 -1.3951 -1.2708 -1.2332 -1.1224 -0.9411 0.0392 0.0737 0.1045 0.1757 0.2020 0.2714 0.3111 0.3204 0.3916 0.4470 0.5500 0.6527 0.7393 0.8016 0.9504 1.0480 2.0804 2.1479 3.6114 3.6463 3.7273 3.7536 3.9647 4.0479 4.1717 4.2366 4.9197 5.0526 5.1211 5.2341 5.3347 5.4178 5.7740 5.8889 7.8023 7.8243 7.9439 7.9789 8.1115 8.1428 10.3969 10.4379 10.7963 10.8471 k = 0.2411 0.1909 0.8455 ( 5872 PWs) bands (ev): -7.4461 -7.4412 -6.7187 -6.7164 -6.6143 -6.6082 -6.5788 -6.5761 -1.9903 -1.9445 -1.4888 -1.4306 -1.4221 -1.3961 -1.2703 -1.2327 -1.1243 -0.9403 0.0407 0.0723 0.1035 0.1776 0.2029 0.2736 0.3073 0.3167 0.3884 0.4459 0.5516 0.6486 0.7420 0.8000 0.9448 1.0424 2.0739 2.1425 3.6234 3.6559 3.7414 3.7574 4.0009 4.0571 4.1487 4.1987 4.9229 5.0596 5.1415 5.2379 5.3504 5.4011 5.7817 5.8966 7.7954 7.8125 7.9440 7.9748 8.0976 8.1268 10.3994 10.4408 10.8043 10.8570 k = 0.2500 0.1784 0.8609 ( 5868 PWs) bands (ev): -7.4456 -7.4407 -6.7185 -6.7162 -6.6146 -6.6084 -6.5791 -6.5765 -1.9896 -1.9441 -1.4888 -1.4289 -1.4239 -1.3965 -1.2701 -1.2325 -1.1250 -0.9401 0.0412 0.0718 0.1032 0.1783 0.2032 0.2745 0.3057 0.3155 0.3874 0.4455 0.5522 0.6473 0.7430 0.7994 0.9429 1.0405 2.0717 2.1407 3.6277 3.6590 3.7475 3.7570 4.0332 4.0399 4.1518 4.1754 4.9240 5.0617 5.1500 5.2370 5.3629 5.3891 5.7843 5.8992 7.7934 7.8083 7.9441 7.9734 8.0930 8.1214 10.4003 10.4418 10.8070 10.8604 k = 0.2500 0.1784 0.8609 ( 5868 PWs) bands (ev): -7.4456 -7.4407 -6.7185 -6.7162 -6.6146 -6.6084 -6.5791 -6.5765 -1.9896 -1.9441 -1.4888 -1.4289 -1.4239 -1.3965 -1.2701 -1.2325 -1.1250 -0.9401 0.0412 0.0718 0.1032 0.1783 0.2032 0.2745 0.3057 0.3155 0.3874 0.4455 0.5522 0.6473 0.7430 0.7994 0.9429 1.0405 2.0717 2.1407 3.6277 3.6590 3.7475 3.7570 4.0332 4.0399 4.1518 4.1754 4.9240 5.0617 5.1500 5.2370 5.3629 5.3891 5.7843 5.8992 7.7934 7.8083 7.9441 7.9734 8.0930 8.1214 10.4003 10.4418 10.8070 10.8604 k = 0.2639 0.1883 0.8487 ( 5880 PWs) bands (ev): -7.4457 -7.4408 -6.7186 -6.7163 -6.6145 -6.6084 -6.5790 -6.5764 -1.9898 -1.9443 -1.4888 -1.4294 -1.4237 -1.3960 -1.2701 -1.2326 -1.1245 -0.9406 0.0413 0.0718 0.1033 0.1781 0.2031 0.2741 0.3063 0.3164 0.3876 0.4454 0.5514 0.6444 0.7461 0.8003 0.9434 1.0407 2.0749 2.1435 3.6214 3.6510 3.7386 3.7487 4.0213 4.0554 4.1565 4.1897 4.9250 5.0594 5.1518 5.2382 5.3588 5.3940 5.7833 5.8979 7.7813 7.7943 7.9573 7.9847 8.0940 8.1226 10.4013 10.4427 10.8058 10.8583 k = 0.2778 0.1982 0.8365 ( 5876 PWs) bands (ev): -7.4461 -7.4412 -6.7188 -6.7165 -6.6142 -6.6082 -6.5787 -6.5760 -1.9902 -1.9450 -1.4887 -1.4306 -1.4235 -1.3944 -1.2701 -1.2332 -1.1230 -0.9421 0.0415 0.0716 0.1038 0.1775 0.2026 0.2731 0.3071 0.3195 0.3881 0.4451 0.5493 0.6368 0.7544 0.8031 0.9449 1.0416 2.0845 2.1518 3.6035 3.6292 3.7130 3.7280 4.0129 4.0639 4.1829 4.2225 4.9283 5.0535 5.1569 5.2416 5.3514 5.4037 5.7804 5.8942 7.7501 7.7614 7.9862 8.0131 8.0982 8.1270 10.4043 10.4454 10.8021 10.8520 k = 0.2917 0.2081 0.8243 ( 5875 PWs) bands (ev): -7.4466 -7.4419 -6.7192 -6.7168 -6.6137 -6.6078 -6.5783 -6.5755 -1.9910 -1.9462 -1.4885 -1.4323 -1.4232 -1.3920 -1.2701 -1.2342 -1.1204 -0.9445 0.0420 0.0709 0.1050 0.1764 0.2018 0.2719 0.3076 0.3251 0.3889 0.4448 0.5461 0.6261 0.7649 0.8085 0.9473 1.0435 2.0999 2.1653 3.5755 3.5977 3.6769 3.6969 4.0106 4.0631 4.2262 4.2639 4.9340 5.0451 5.1639 5.2478 5.3441 5.4147 5.7759 5.8884 7.7095 7.7203 8.0156 8.0453 8.1105 8.1376 10.4089 10.4492 10.7958 10.8416 k = 0.3056 0.2180 0.8122 ( 5875 PWs) bands (ev): -7.4473 -7.4427 -6.7197 -6.7174 -6.6131 -6.6074 -6.5778 -6.5749 -1.9921 -1.9478 -1.4882 -1.4343 -1.4229 -1.3889 -1.2701 -1.2358 -1.1166 -0.9475 0.0429 0.0695 0.1070 0.1746 0.2009 0.2709 0.3078 0.3325 0.3898 0.4447 0.5421 0.6140 0.7742 0.8181 0.9506 1.0468 2.1207 2.1836 3.5393 3.5600 3.6351 3.6575 4.0122 4.0615 4.2727 4.3087 4.9417 5.0352 5.1712 5.2575 5.3381 5.4263 5.7703 5.8805 7.6654 7.6758 8.0360 8.0658 8.1397 8.1604 10.4146 10.4539 10.7869 10.8280 k = 0.3194 0.2279 0.8000 ( 5876 PWs) bands (ev): -7.4480 -7.4435 -6.7205 -6.7181 -6.6123 -6.6068 -6.5772 -6.5743 -1.9935 -1.9497 -1.4878 -1.4366 -1.4226 -1.3853 -1.2700 -1.2380 -1.1118 -0.9509 0.0442 0.0676 0.1096 0.1724 0.2001 0.2702 0.3081 0.3410 0.3907 0.4448 0.5378 0.6016 0.7800 0.8327 0.9546 1.0518 2.1465 2.2064 3.4980 3.5182 3.5897 3.6127 4.0154 4.0620 4.3155 4.3542 4.9504 5.0244 5.1769 5.2697 5.3351 5.4387 5.7642 5.8709 7.6208 7.6303 8.0455 8.0725 8.1826 8.1976 10.4209 10.4588 10.7756 10.8122 k = 0.3333 0.2378 0.7878 ( 5874 PWs) bands (ev): -7.4488 -7.4445 -6.7214 -6.7190 -6.6114 -6.6060 -6.5767 -6.5736 -1.9954 -1.9521 -1.4873 -1.4391 -1.4221 -1.3814 -1.2699 -1.2407 -1.1060 -0.9544 0.0455 0.0656 0.1125 0.1697 0.1995 0.2699 0.3085 0.3501 0.3915 0.4454 0.5333 0.5895 0.7829 0.8509 0.9589 1.0587 2.1767 2.2333 3.4542 3.4738 3.5413 3.5649 4.0181 4.0645 4.3524 4.3981 4.9584 5.0135 5.1798 5.2788 5.3401 5.4529 5.7579 5.8598 7.5774 7.5857 8.0483 8.0726 8.2295 8.2451 10.4272 10.4632 10.7619 10.7956 k = 0.3472 0.2477 0.7756 ( 5876 PWs) bands (ev): -7.4495 -7.4454 -6.7225 -6.7201 -6.6104 -6.6051 -6.5762 -6.5731 -1.9976 -1.9548 -1.4866 -1.4416 -1.4215 -1.3774 -1.2697 -1.2437 -1.0996 -0.9576 0.0466 0.0637 0.1155 0.1667 0.1994 0.2699 0.3089 0.3596 0.3920 0.4469 0.5291 0.5785 0.7840 0.8710 0.9635 1.0674 2.2108 2.2638 3.4096 3.4280 3.4907 3.5164 4.0194 4.0678 4.3837 4.4391 4.9636 5.0036 5.1794 5.2774 5.3579 5.4695 5.7519 5.8477 7.5365 7.5437 8.0479 8.0696 8.2776 8.2975 10.4327 10.4660 10.7461 10.7793 k = 0.3611 0.2577 0.7635 ( 5874 PWs) bands (ev): -7.4502 -7.4463 -6.7239 -6.7215 -6.6093 -6.6040 -6.5758 -6.5726 -2.0002 -1.9578 -1.4859 -1.4442 -1.4208 -1.3735 -1.2694 -1.2470 -1.0928 -0.9603 0.0470 0.0627 0.1184 0.1634 0.2000 0.2702 0.3095 0.3687 0.3927 0.4493 0.5252 0.5687 0.7840 0.8918 0.9683 1.0778 2.2481 2.2975 3.3652 3.3816 3.4389 3.4693 4.0187 4.0704 4.4100 4.4765 4.9636 4.9964 5.1755 5.2666 5.3840 5.4891 5.7467 5.8351 7.4989 7.5059 8.0463 8.0653 8.3259 8.3513 10.4364 10.4664 10.7287 10.7643 k = 0.3750 0.2676 0.7513 ( 5871 PWs) bands (ev): -7.4509 -7.4472 -6.7254 -6.7231 -6.6080 -6.6028 -6.5755 -6.5723 -2.0033 -1.9609 -1.4850 -1.4468 -1.4201 -1.3697 -1.2692 -1.2502 -1.0860 -0.9620 0.0464 0.0628 0.1208 0.1599 0.2012 0.2709 0.3101 0.3758 0.3950 0.4529 0.5219 0.5605 0.7837 0.9124 0.9735 1.0894 2.2881 2.3339 3.3209 3.3353 3.3873 3.4251 4.0155 4.0709 4.4324 4.5103 4.9578 4.9924 5.1677 5.2495 5.4118 5.5118 5.7423 5.8226 7.4657 7.4738 8.0442 8.0605 8.3735 8.4049 10.4373 10.4631 10.7107 10.7508 k = 0.3889 0.2775 0.7391 ( 5869 PWs) bands (ev): -7.4515 -7.4480 -6.7273 -6.7250 -6.6066 -6.6013 -6.5752 -6.5720 -2.0068 -1.9643 -1.4840 -1.4493 -1.4193 -1.3662 -1.2692 -1.2534 -1.0796 -0.9623 0.0450 0.0640 0.1228 0.1563 0.2030 0.2718 0.3110 0.3784 0.4013 0.4574 0.5193 0.5540 0.7833 0.9321 0.9792 1.1019 2.3301 2.3723 3.2760 3.2900 3.3379 3.3851 4.0098 4.0687 4.4516 4.5408 4.9485 4.9896 5.1557 5.2273 5.4367 5.5364 5.7382 5.8114 7.4379 7.4486 8.0424 8.0561 8.4196 8.4574 10.4341 10.4551 10.6934 10.7391 k = 0.4028 0.2874 0.7269 ( 5871 PWs) bands (ev): -7.4521 -7.4488 -6.7294 -6.7272 -6.6051 -6.5997 -6.5750 -6.5717 -2.0106 -1.9677 -1.4828 -1.4517 -1.4186 -1.3631 -1.2694 -1.2561 -1.0739 -0.9609 0.0432 0.0656 0.1241 0.1529 0.2051 0.2732 0.3121 0.3773 0.4105 0.4629 0.5178 0.5493 0.7832 0.9506 0.9857 1.1148 2.3735 2.4122 3.2296 3.2459 3.2933 3.3500 4.0012 4.0631 4.4682 4.5682 4.9381 4.9865 5.1397 5.2007 5.4562 5.5609 5.7332 5.8030 7.4169 7.4309 8.0415 8.0527 8.4637 8.5081 10.4251 10.4419 10.6774 10.7294 k = 0.4167 0.2973 0.7148 ( 5872 PWs) bands (ev): -7.4527 -7.4496 -6.7318 -6.7298 -6.6034 -6.5979 -6.5748 -6.5715 -2.0148 -1.9713 -1.4816 -1.4540 -1.4179 -1.3604 -1.2700 -1.2583 -1.0691 -0.9577 0.0415 0.0674 0.1248 0.1498 0.2072 0.2749 0.3137 0.3745 0.4206 0.4691 0.5177 0.5461 0.7836 0.9674 0.9932 1.1279 2.4173 2.4526 3.1828 3.2020 3.2557 3.3203 3.9899 4.0541 4.4825 4.5926 4.9277 4.9823 5.1202 5.1703 5.4691 5.5832 5.7256 5.7987 7.4034 7.4212 8.0420 8.0510 8.5050 8.5564 10.4085 10.4244 10.6634 10.7216 k = 0.4306 0.3072 0.7026 ( 5874 PWs) bands (ev): -7.4533 -7.4503 -6.7344 -6.7326 -6.6016 -6.5959 -6.5745 -6.5712 -2.0194 -1.9748 -1.4802 -1.4561 -1.4172 -1.3583 -1.2709 -1.2601 -1.0653 -0.9527 0.0401 0.0690 0.1247 0.1472 0.2090 0.2767 0.3162 0.3709 0.4302 0.4761 0.5192 0.5446 0.7850 0.9824 1.0018 1.1408 2.4605 2.4924 3.1374 3.1590 3.2255 3.2960 3.9758 4.0418 4.4943 4.6135 4.9179 4.9770 5.0979 5.1369 5.4755 5.6012 5.7152 5.7980 7.3979 7.4194 8.0443 8.0517 8.5432 8.6016 10.3836 10.4030 10.6510 10.7152 k = 0.4444 0.3171 0.6904 ( 5873 PWs) bands (ev): -7.4540 -7.4511 -6.7374 -6.7358 -6.5996 -6.5937 -6.5740 -6.5707 -2.0242 -1.9784 -1.4789 -1.4580 -1.4166 -1.3566 -1.2719 -1.2616 -1.0623 -0.9462 0.0391 0.0702 0.1239 0.1452 0.2104 0.2786 0.3196 0.3670 0.4383 0.4841 0.5227 0.5444 0.7875 0.9958 1.0113 1.1534 2.5017 2.5303 3.0953 3.1190 3.2015 3.2769 3.9593 4.0264 4.5033 4.6303 4.9089 4.9701 5.0739 5.1019 5.4762 5.6132 5.7031 5.7990 7.4001 7.4253 8.0491 8.0557 8.5776 8.6432 10.3521 10.3773 10.6397 10.7094 k = 0.4583 0.3270 0.6783 ( 5875 PWs) bands (ev): -7.4548 -7.4520 -6.7408 -6.7393 -6.5974 -6.5914 -6.5733 -6.5699 -2.0292 -1.9820 -1.4775 -1.4596 -1.4162 -1.3555 -1.2729 -1.2630 -1.0598 -0.9387 0.0387 0.0710 0.1223 0.1440 0.2113 0.2803 0.3240 0.3630 0.4444 0.4928 0.5280 0.5457 0.7914 1.0081 1.0213 1.1656 2.5389 2.5642 3.0587 3.0845 3.1832 3.2626 3.9408 4.0084 4.5090 4.6419 4.9006 4.9607 5.0481 5.0684 5.4723 5.6186 5.6910 5.7994 7.4095 7.4379 8.0571 8.0635 8.6079 8.6805 10.3160 10.3474 10.6285 10.7030 k = 0.4722 0.3369 0.6661 ( 5879 PWs) bands (ev): -7.4558 -7.4530 -6.7443 -6.7431 -6.5952 -6.5889 -6.5723 -6.5689 -2.0343 -1.9856 -1.4763 -1.4607 -1.4158 -1.3548 -1.2736 -1.2645 -1.0577 -0.9307 0.0387 0.0714 0.1200 0.1435 0.2118 0.2817 0.3293 0.3592 0.4484 0.5013 0.5353 0.5486 0.7971 1.0198 1.0316 1.1774 2.5695 2.5919 3.0302 3.0581 3.1697 3.2528 3.9206 3.9883 4.5108 4.6471 4.8918 4.9482 5.0176 5.0438 5.4650 5.6176 5.6799 5.7978 7.4247 7.4558 8.0691 8.0756 8.6335 8.7132 10.2772 10.3143 10.6164 10.6947 k = 0.4861 0.3468 0.6539 ( 5879 PWs) bands (ev): -7.4570 -7.4543 -6.7482 -6.7470 -6.5927 -6.5864 -6.5709 -6.5675 -2.0396 -1.9892 -1.4755 -1.4612 -1.4156 -1.3544 -1.2741 -1.2661 -1.0558 -0.9225 0.0393 0.0713 0.1172 0.1436 0.2121 0.2827 0.3350 0.3560 0.4509 0.5085 0.5445 0.5531 0.8048 1.0301 1.0430 1.1891 2.5903 2.6112 3.0125 3.0423 3.1608 3.2470 3.8994 3.9669 4.5079 4.6446 4.8795 4.9331 4.9853 5.0293 5.4557 5.6116 5.6697 5.7938 7.4443 7.4773 8.0860 8.0924 8.6542 8.7404 10.2371 10.2793 10.6025 10.6834 k = 0.5000 0.3568 0.6417 ( 5874 PWs) bands (ev): -7.4587 -7.4558 -6.7522 -6.7510 -6.5901 -6.5838 -6.5691 -6.5657 -2.0448 -1.9927 -1.4752 -1.4610 -1.4156 -1.3543 -1.2745 -1.2677 -1.0541 -0.9147 0.0404 0.0707 0.1141 0.1442 0.2124 0.2835 0.3401 0.3542 0.4522 0.5135 0.5541 0.5605 0.8147 1.0384 1.0568 1.2007 2.5989 2.6205 3.0074 3.0388 3.1559 3.2445 3.8778 3.9447 4.4997 4.6337 4.8595 4.9169 4.9585 5.0215 5.4455 5.6028 5.6598 5.7873 7.4666 7.5005 8.1084 8.1140 8.6696 8.7619 10.1971 10.2439 10.5858 10.6680 k = 0.5000 0.3568 0.6417 ( 5874 PWs) bands (ev): -7.4587 -7.4558 -6.7522 -6.7510 -6.5901 -6.5838 -6.5691 -6.5657 -2.0448 -1.9927 -1.4752 -1.4610 -1.4156 -1.3543 -1.2745 -1.2677 -1.0541 -0.9147 0.0404 0.0707 0.1141 0.1442 0.2124 0.2835 0.3401 0.3542 0.4522 0.5135 0.5541 0.5605 0.8147 1.0384 1.0568 1.2007 2.5989 2.6205 3.0074 3.0388 3.1559 3.2445 3.8778 3.9447 4.4997 4.6337 4.8595 4.9169 4.9585 5.0215 5.4455 5.6028 5.6598 5.7873 7.4666 7.5005 8.1084 8.1140 8.6696 8.7619 10.1971 10.2439 10.5858 10.6680 k = 0.5000 0.3568 0.6203 ( 5870 PWs) bands (ev): -7.4621 -7.4592 -6.7597 -6.7584 -6.5851 -6.5791 -6.5649 -6.5618 -2.0540 -1.9991 -1.4750 -1.4600 -1.4156 -1.3546 -1.2760 -1.2693 -1.0512 -0.9019 0.0427 0.0695 0.1085 0.1457 0.2123 0.2853 0.3471 0.3532 0.4530 0.5177 0.5687 0.5802 0.8366 1.0512 1.0851 1.2216 2.6026 2.6278 3.0100 3.0433 3.1506 3.2411 3.8415 3.9065 4.4804 4.6045 4.8153 4.8840 4.9279 5.0118 5.4265 5.5848 5.6418 5.7727 7.5087 7.5434 8.1527 8.1561 8.6892 8.7910 10.1280 10.1822 10.5493 10.6306 k = 0.5000 0.3568 0.5990 ( 5866 PWs) bands (ev): -7.4661 -7.4630 -6.7679 -6.7664 -6.5797 -6.5742 -6.5596 -6.5569 -2.0630 -2.0057 -1.4748 -1.4589 -1.4155 -1.3556 -1.2788 -1.2691 -1.0485 -0.8903 0.0451 0.0681 0.1035 0.1474 0.2116 0.2883 0.3523 0.3539 0.4525 0.5186 0.5822 0.6026 0.8634 1.0666 1.1148 1.2429 2.6055 2.6349 3.0127 3.0476 3.1447 3.2347 3.8094 3.8711 4.4606 4.5709 4.7721 4.8474 4.9084 5.0013 5.4061 5.5648 5.6220 5.7559 7.5535 7.5888 8.1967 8.1973 8.7028 8.8125 10.0598 10.1211 10.5037 10.5808 k = 0.5000 0.3568 0.5776 ( 5874 PWs) bands (ev): -7.4705 -7.4673 -6.7767 -6.7750 -6.5739 -6.5690 -6.5534 -6.5512 -2.0717 -2.0124 -1.4745 -1.4578 -1.4154 -1.3571 -1.2820 -1.2680 -1.0463 -0.8802 0.0467 0.0666 0.0999 0.1491 0.2104 0.2921 0.3514 0.3606 0.4509 0.5183 0.5938 0.6250 0.8955 1.0860 1.1448 1.2644 2.6072 2.6415 3.0156 3.0516 3.1384 3.2250 3.7826 3.8396 4.4404 4.5333 4.7323 4.8126 4.8936 4.9904 5.3843 5.5431 5.6007 5.7370 7.6007 7.6362 8.2367 8.2397 8.7097 8.8253 9.9933 10.0614 10.4492 10.5195 k = 0.5000 0.3568 0.5562 ( 5862 PWs) bands (ev): -7.4754 -7.4722 -6.7861 -6.7841 -6.5678 -6.5634 -6.5463 -6.5446 -2.0800 -2.0190 -1.4743 -1.4567 -1.4154 -1.3589 -1.2852 -1.2665 -1.0447 -0.8718 0.0467 0.0652 0.0985 0.1509 0.2089 0.2964 0.3505 0.3670 0.4484 0.5175 0.6030 0.6458 0.9328 1.1099 1.1748 1.2858 2.6074 2.6472 3.0186 3.0552 3.1315 3.2121 3.7619 3.8129 4.4196 4.4930 4.6968 4.7826 4.8807 4.9791 5.3616 5.5202 5.5779 5.7164 7.6494 7.6851 8.2738 8.2806 8.7096 8.8286 9.9292 10.0038 10.3860 10.4485 k = 0.5000 0.3568 0.5348 ( 5854 PWs) bands (ev): -7.4807 -7.4775 -6.7959 -6.7937 -6.5612 -6.5573 -6.5385 -6.5372 -2.0878 -2.0256 -1.4739 -1.4555 -1.4155 -1.3609 -1.2881 -1.2650 -1.0439 -0.8651 0.0444 0.0643 0.0992 0.1530 0.2073 0.3010 0.3496 0.3732 0.4454 0.5166 0.6097 0.6638 0.9751 1.1385 1.2045 1.3068 2.6057 2.6514 3.0219 3.0585 3.1244 3.1967 3.7474 3.7916 4.3983 4.4518 4.6659 4.7581 4.8687 4.9676 5.3382 5.4963 5.5538 5.6943 7.6992 7.7348 8.3078 8.3190 8.7024 8.8223 9.8682 9.9488 10.3150 10.3699 k = 0.5000 0.3568 0.5134 ( 5842 PWs) bands (ev): -7.4865 -7.4833 -6.8061 -6.8036 -6.5541 -6.5506 -6.5301 -6.5290 -2.0951 -2.0321 -1.4736 -1.4542 -1.4157 -1.3629 -1.2906 -1.2634 -1.0438 -0.8604 0.0402 0.0637 0.1017 0.1556 0.2056 0.3055 0.3487 0.3790 0.4418 0.5158 0.6140 0.6784 1.0219 1.1718 1.2340 1.3272 2.6019 2.6537 3.0255 3.0614 3.1171 3.1796 3.7390 3.7760 4.3764 4.4116 4.6399 4.7390 4.8572 4.9560 5.3142 5.4719 5.5285 5.6708 7.7494 7.7848 8.3380 8.3540 8.6885 8.8067 9.8107 9.8969 10.2371 10.2862 k = 0.5000 0.3568 0.4920 ( 5860 PWs) bands (ev): -7.4928 -7.4896 -6.8165 -6.8139 -6.5464 -6.5433 -6.5214 -6.5203 -2.1020 -2.0383 -1.4733 -1.4528 -1.4161 -1.3649 -1.2928 -1.2619 -1.0448 -0.8578 0.0347 0.0633 0.1051 0.1590 0.2039 0.3097 0.3479 0.3844 0.4381 0.5150 0.6160 0.6892 1.0726 1.2089 1.2636 1.3468 2.5956 2.6535 3.0295 3.0640 3.1099 3.1621 3.7361 3.7663 4.3534 4.3752 4.6189 4.7249 4.8462 4.9445 5.2901 5.4471 5.5022 5.6462 7.7995 7.8345 8.3638 8.3849 8.6684 8.7826 9.7568 9.8482 10.1535 10.1993 k = 0.5000 0.3568 0.4706 ( 5848 PWs) bands (ev): -7.4994 -7.4963 -6.8272 -6.8244 -6.5383 -6.5353 -6.5123 -6.5112 -2.1082 -2.0443 -1.4730 -1.4513 -1.4167 -1.3668 -1.2944 -1.2604 -1.0467 -0.8572 0.0286 0.0628 0.1087 0.1634 0.2022 0.3132 0.3473 0.3892 0.4346 0.5143 0.6161 0.6963 1.1266 1.2475 1.2949 1.3657 2.5870 2.6502 3.0342 3.0662 3.1031 3.1452 3.7381 3.7623 4.3266 4.3472 4.6032 4.7151 4.8357 4.9331 5.2659 5.4224 5.4751 5.6207 7.8489 7.8833 8.3848 8.4112 8.6430 8.7510 9.7065 9.8030 10.0654 10.1110 k = 0.5000 0.3568 0.4492 ( 5858 PWs) bands (ev): -7.5064 -7.5033 -6.8379 -6.8351 -6.5295 -6.5267 -6.5029 -6.5017 -2.1139 -2.0501 -1.4727 -1.4496 -1.4175 -1.3684 -1.2957 -1.2589 -1.0496 -0.8589 0.0224 0.0624 0.1120 0.1687 0.2007 0.3157 0.3473 0.3929 0.4316 0.5136 0.6143 0.6997 1.1829 1.2830 1.3313 1.3842 2.5760 2.6435 3.0396 3.0677 3.0972 3.1297 3.7442 3.7637 4.2978 4.3277 4.5924 4.7095 4.8256 4.9219 5.2419 5.3978 5.4474 5.5944 7.8971 7.9306 8.4003 8.4320 8.6132 8.7135 9.6599 9.7612 9.9744 10.0226 k = 0.5000 0.3568 0.4278 ( 5864 PWs) bands (ev): -7.5137 -7.5107 -6.8488 -6.8458 -6.5203 -6.5175 -6.4932 -6.4920 -2.1190 -2.0555 -1.4724 -1.4477 -1.4186 -1.3698 -1.2964 -1.2575 -1.0536 -0.8626 0.0162 0.0620 0.1147 0.1744 0.1998 0.3168 0.3478 0.3953 0.4298 0.5128 0.6111 0.6999 1.2402 1.3122 1.3743 1.4044 2.5630 2.6333 3.0458 3.0675 3.0933 3.1159 3.7541 3.7701 4.2718 4.3136 4.5863 4.7075 4.8159 4.9110 5.2184 5.3737 5.4190 5.5674 7.9434 7.9760 8.4095 8.4469 8.5804 8.6718 9.6166 9.7224 9.8823 9.9348 k = 0.5000 0.3568 0.4064 ( 5852 PWs) bands (ev): -7.5213 -7.5183 -6.8595 -6.8565 -6.5106 -6.5079 -6.4834 -6.4822 -2.1235 -2.0606 -1.4720 -1.4457 -1.4199 -1.3709 -1.2967 -1.2562 -1.0586 -0.8685 0.0102 0.0617 0.1170 0.1788 0.2008 0.3164 0.3489 0.3960 0.4296 0.5120 0.6065 0.6972 1.2957 1.3363 1.4126 1.4373 2.5484 2.6198 3.0525 3.0646 3.0921 3.1040 3.7675 3.7807 4.2506 4.3041 4.5843 4.7091 4.8067 4.9005 5.1954 5.3502 5.3903 5.5398 7.9875 8.0190 8.4113 8.4550 8.5462 8.6282 9.5764 9.6862 9.7907 9.8486 k = 0.5000 0.3568 0.3850 ( 5844 PWs) bands (ev): -7.5290 -7.5261 -6.8702 -6.8672 -6.5004 -6.4978 -6.4736 -6.4723 -2.1273 -2.0654 -1.4717 -1.4434 -1.4214 -1.3716 -1.2965 -1.2548 -1.0646 -0.8765 0.0045 0.0616 0.1189 0.1803 0.2052 0.3145 0.3502 0.3952 0.4311 0.5112 0.6007 0.6921 1.3427 1.3585 1.4427 1.4888 2.5326 2.6037 3.0585 3.0606 3.0900 3.0967 3.7845 3.7951 4.2349 4.2996 4.5860 4.7139 4.7981 4.8904 5.1733 5.3274 5.3613 5.5118 8.0287 8.0590 8.4042 8.4556 8.5125 8.5860 9.5389 9.6510 9.7020 9.7647 k = 0.5000 0.3568 0.3636 ( 5846 PWs) bands (ev): -7.5368 -7.5341 -6.8806 -6.8776 -6.4900 -6.4873 -6.4637 -6.4625 -2.1306 -2.0699 -1.4713 -1.4410 -1.4231 -1.3720 -1.2959 -1.2535 -1.0715 -0.8865 -0.0008 0.0617 0.1206 0.1788 0.2125 0.3113 0.3512 0.3937 0.4338 0.5102 0.5941 0.6848 1.3691 1.3843 1.4834 1.5456 2.5161 2.5855 3.0530 3.0664 3.0815 3.0978 3.8051 3.8131 4.2252 4.3000 4.5909 4.7218 4.7900 4.8808 5.1521 5.3054 5.3323 5.4834 8.0663 8.0955 8.3864 8.4463 8.4813 8.5495 9.5034 9.6011 9.6326 9.6841 k = 0.5000 0.3568 0.3423 ( 5842 PWs) bands (ev): -7.5447 -7.5421 -6.8908 -6.8879 -6.4793 -6.4766 -6.4540 -6.4527 -2.1333 -2.0741 -1.4709 -1.4383 -1.4249 -1.3720 -1.2949 -1.2523 -1.0793 -0.8985 -0.0055 0.0622 0.1221 0.1755 0.2214 0.3071 0.3513 0.3924 0.4372 0.5090 0.5867 0.6758 1.3852 1.4037 1.5369 1.6041 2.4995 2.5661 3.0463 3.0689 3.0756 3.0998 3.8291 3.8348 4.2213 4.3052 4.5983 4.7323 4.7826 4.8719 5.1320 5.2841 5.3037 5.4547 8.0992 8.1279 8.3594 8.4203 8.4591 8.5217 9.4686 9.5230 9.5962 9.6089 k = 0.5000 0.3568 0.3209 ( 5846 PWs) bands (ev): -7.5525 -7.5500 -6.9007 -6.8978 -6.4684 -6.4658 -6.4444 -6.4431 -2.1355 -2.0780 -1.4704 -1.4354 -1.4267 -1.3716 -1.2935 -1.2510 -1.0879 -0.9121 -0.0097 0.0629 0.1237 0.1712 0.2308 0.3021 0.3500 0.3919 0.4409 0.5077 0.5788 0.6654 1.3983 1.4160 1.5968 1.6633 2.4831 2.5462 3.0394 3.0614 3.0787 3.1008 3.8556 3.8612 4.2232 4.3151 4.6078 4.7448 4.7761 4.8636 5.1131 5.2626 5.2769 5.4257 8.1257 8.1553 8.3274 8.3810 8.4448 8.5004 9.4260 9.4530 9.5349 9.5696 k = 0.5000 0.3568 0.2995 ( 5846 PWs) bands (ev): -7.5603 -7.5579 -6.9103 -6.9075 -6.4575 -6.4549 -6.4350 -6.4338 -2.1370 -2.0816 -1.4700 -1.4328 -1.4280 -1.3708 -1.2918 -1.2498 -1.0971 -0.9275 -0.0132 0.0640 0.1253 0.1660 0.2403 0.2964 0.3472 0.3924 0.4447 0.5062 0.5707 0.6540 1.4093 1.4244 1.6590 1.7222 2.4672 2.5265 3.0325 3.0528 3.0814 3.1000 3.8841 3.8928 4.2304 4.3289 4.6184 4.7573 4.7723 4.8562 5.0957 5.2385 5.2542 5.3967 8.1426 8.1760 8.2956 8.3397 8.4327 8.4821 9.3588 9.4113 9.4705 9.5414 k = 0.5000 0.3568 0.2781 ( 5850 PWs) bands (ev): -7.5678 -7.5656 -6.9194 -6.9167 -6.4467 -6.4442 -6.4259 -6.4247 -2.1381 -2.0850 -1.4694 -1.4324 -1.4267 -1.3697 -1.2899 -1.2487 -1.1068 -0.9443 -0.0161 0.0654 0.1271 0.1603 0.2492 0.2904 0.3434 0.3937 0.4485 0.5046 0.5625 0.6419 1.4185 1.4305 1.7214 1.7803 2.4523 2.5073 3.0257 3.0443 3.0820 3.0973 3.9154 3.9288 4.2423 4.3460 4.6294 4.7600 4.7803 4.8498 5.0797 5.2121 5.2358 5.3677 8.1453 8.1862 8.2690 8.3041 8.4221 8.4657 9.2892 9.3737 9.4158 9.5137 k = 0.5000 0.3568 0.2567 ( 5850 PWs) bands (ev): -7.5751 -7.5730 -6.9280 -6.9254 -6.4362 -6.4336 -6.4172 -6.4160 -2.1386 -2.0881 -1.4688 -1.4340 -1.4231 -1.3682 -1.2876 -1.2476 -1.1169 -0.9623 -0.0182 0.0672 0.1288 0.1542 0.2569 0.2843 0.3390 0.3956 0.4522 0.5027 0.5545 0.6293 1.4262 1.4351 1.7829 1.8369 2.4385 2.4892 3.0192 3.0363 3.0801 3.0924 3.9498 3.9686 4.2583 4.3656 4.6400 4.7563 4.7962 4.8445 5.0653 5.1857 5.2200 5.3389 8.1316 8.1781 8.2511 8.2809 8.4144 8.4524 9.2246 9.3309 9.3738 9.4858 k = 0.5000 0.3568 0.2353 ( 5860 PWs) bands (ev): -7.5821 -7.5802 -6.9361 -6.9337 -6.4259 -6.4234 -6.4089 -6.4078 -2.1387 -2.0911 -1.4682 -1.4359 -1.4187 -1.3663 -1.2852 -1.2465 -1.1273 -0.9814 -0.0195 0.0693 0.1302 0.1482 0.2619 0.2791 0.3348 0.3977 0.4559 0.5008 0.5469 0.6164 1.4325 1.4385 1.8426 1.8916 2.4261 2.4723 3.0130 3.0286 3.0758 3.0854 3.9872 4.0116 4.2777 4.3869 4.6493 4.7523 4.8129 4.8405 5.0527 5.1606 5.2059 5.3104 8.1059 8.1507 8.2404 8.2672 8.4110 8.4441 9.1664 9.2868 9.3401 9.4570 k = 0.5000 0.3568 0.2139 ( 5868 PWs) bands (ev): -7.5887 -7.5869 -6.9436 -6.9414 -6.4160 -6.4136 -6.4011 -6.4000 -2.1383 -2.0939 -1.4676 -1.4380 -1.4138 -1.3641 -1.2826 -1.2456 -1.1377 -1.0012 -0.0200 0.0715 0.1302 0.1435 0.2616 0.2765 0.3321 0.3998 0.4595 0.4987 0.5399 0.6036 1.4374 1.4413 1.9000 1.9438 2.4151 2.4570 3.0071 3.0215 3.0693 3.0765 4.0271 4.0573 4.2998 4.4087 4.6566 4.7486 4.8278 4.8382 5.0422 5.1376 5.1932 5.2826 8.0749 8.1149 8.2291 8.2537 8.4130 8.4421 9.1153 9.2465 9.3092 9.4270 k = 0.5000 0.3568 0.1925 ( 5866 PWs) bands (ev): -7.5948 -7.5932 -6.9505 -6.9484 -6.4067 -6.4043 -6.3939 -6.3928 -2.1375 -2.0965 -1.4669 -1.4401 -1.4083 -1.3616 -1.2797 -1.2448 -1.1480 -1.0216 -0.0196 0.0736 0.1274 0.1421 0.2566 0.2750 0.3320 0.4017 0.4631 0.4966 0.5335 0.5909 1.4410 1.4435 1.9544 1.9930 2.4057 2.4432 3.0018 3.0148 3.0608 3.0661 4.0690 4.1050 4.3238 4.4304 4.6615 4.7450 4.8326 4.8442 5.0343 5.1177 5.1818 5.2558 8.0426 8.0778 8.2142 8.2361 8.4198 8.4460 9.0719 9.2122 9.2792 9.3954 k = 0.5000 0.3568 0.1711 ( 5848 PWs) bands (ev): -7.6005 -7.5990 -6.9568 -6.9549 -6.3981 -6.3958 -6.3873 -6.3861 -2.1364 -2.0991 -1.4661 -1.4421 -1.4025 -1.3589 -1.2768 -1.2440 -1.1578 -1.0423 -0.0183 0.0749 0.1229 0.1435 0.2500 0.2713 0.3349 0.4031 0.4666 0.4946 0.5279 0.5785 1.4434 1.4456 2.0053 2.0387 2.3979 2.4312 2.9969 3.0088 3.0508 3.0547 4.1122 4.1538 4.3491 4.4510 4.6642 4.7412 4.8295 4.8534 5.0297 5.1017 5.1716 5.2304 8.0113 8.0420 8.1963 8.2147 8.4299 8.4539 9.0366 9.1845 9.2496 9.3619 k = 0.5000 0.3568 0.1497 ( 5850 PWs) bands (ev): -7.6055 -7.6042 -6.9624 -6.9607 -6.3902 -6.3879 -6.3813 -6.3801 -2.1349 -2.1016 -1.4653 -1.4441 -1.3962 -1.3562 -1.2736 -1.2434 -1.1671 -1.0629 -0.0162 0.0744 0.1194 0.1459 0.2431 0.2651 0.3401 0.4040 0.4701 0.4929 0.5228 0.5665 1.4448 1.4473 2.0522 2.0805 2.3917 2.4207 2.9926 3.0034 3.0398 3.0428 4.1560 4.2026 4.3753 4.4698 4.6649 4.7372 4.8240 4.8578 5.0292 5.0903 5.1622 5.2070 7.9822 8.0087 8.1768 8.1914 8.4418 8.4640 9.0095 9.1633 9.2207 9.3261 k = 0.5000 0.3568 0.1283 ( 5846 PWs) bands (ev): -7.6100 -7.6089 -6.9673 -6.9658 -6.3832 -6.3810 -6.3760 -6.3748 -2.1331 -2.1041 -1.4644 -1.4461 -1.3897 -1.3536 -1.2702 -1.2429 -1.1753 -1.0831 -0.0131 0.0713 0.1185 0.1486 0.2362 0.2572 0.3468 0.4043 0.4737 0.4917 0.5184 0.5551 1.4458 1.4486 2.0944 2.1178 2.3870 2.4119 2.9889 2.9986 3.0284 3.0308 4.1996 4.2500 4.4019 4.4862 4.6639 4.7327 4.8156 4.8562 5.0333 5.0835 5.1536 5.1860 7.9560 7.9786 8.1573 8.1681 8.4543 8.4751 8.9908 9.1485 9.1929 9.2877 k = 0.5000 0.3568 0.1070 ( 5848 PWs) bands (ev): -7.6139 -7.6129 -6.9714 -6.9702 -6.3771 -6.3750 -6.3714 -6.3702 -2.1312 -2.1066 -1.4634 -1.4481 -1.3830 -1.3514 -1.2667 -1.2427 -1.1822 -1.1027 -0.0090 0.0656 0.1206 0.1512 0.2296 0.2486 0.3541 0.4037 0.4774 0.4911 0.5144 0.5444 1.4465 1.4494 2.1314 2.1501 2.3839 2.4046 2.9858 2.9945 3.0172 3.0194 4.2420 4.2944 4.4283 4.5001 4.6615 4.7278 4.8047 4.8482 5.0415 5.0811 5.1455 5.1677 7.9333 7.9522 8.1389 8.1463 8.4666 8.4861 8.9802 9.1391 9.1673 9.2464 k = 0.5000 0.3568 0.0856 ( 5862 PWs) bands (ev): -7.6170 -7.6163 -6.9748 -6.9738 -6.3721 -6.3701 -6.3676 -6.3663 -2.1290 -2.1090 -1.4623 -1.4500 -1.3764 -1.3498 -1.2629 -1.2428 -1.1872 -1.1213 -0.0041 0.0581 0.1248 0.1534 0.2236 0.2400 0.3616 0.4023 0.4813 0.4913 0.5107 0.5343 1.4470 1.4497 2.1628 2.1770 2.3820 2.3986 2.9834 2.9911 3.0068 3.0090 4.2821 4.3336 4.4539 4.5119 4.6579 4.7223 4.7927 4.8349 5.0526 5.0821 5.1376 5.1519 7.9145 7.9298 8.1225 8.1272 8.4783 8.4960 8.9774 9.1321 9.1463 9.2030 k = 0.5000 0.3568 0.0642 ( 5876 PWs) bands (ev): -7.6195 -7.6190 -6.9775 -6.9767 -6.3681 -6.3664 -6.3644 -6.3633 -2.1266 -2.1115 -1.4611 -1.4519 -1.3700 -1.3491 -1.2590 -1.2433 -1.1897 -1.1386 0.0017 0.0496 0.1303 0.1547 0.2186 0.2319 0.3689 0.4000 0.4854 0.4920 0.5074 0.5251 1.4475 1.4497 2.1880 2.1981 2.3814 2.3939 2.9816 2.9884 2.9977 3.0003 4.3186 4.3649 4.4771 4.5223 4.6541 4.7156 4.7819 4.8183 5.0653 5.0858 5.1297 5.1384 7.9000 7.9115 8.1089 8.1117 8.4890 8.5040 8.9819 9.1170 9.1375 9.1622 k = 0.5000 0.3568 0.0428 ( 5878 PWs) bands (ev): -7.6213 -7.6209 -6.9793 -6.9788 -6.3652 -6.3640 -6.3619 -6.3611 -2.1242 -2.1141 -1.4598 -1.4536 -1.3640 -1.3496 -1.2552 -1.2444 -1.1892 -1.1541 0.0082 0.0408 0.1366 0.1544 0.2153 0.2248 0.3758 0.3968 0.4899 0.4934 0.5045 0.5167 1.4479 1.4496 2.2066 2.2130 2.3818 2.3902 2.9805 2.9865 2.9905 2.9937 4.3500 4.3856 4.4967 4.5305 4.6534 4.7059 4.7746 4.8011 5.0785 5.0912 5.1216 5.1264 7.8900 7.8978 8.0987 8.1002 8.4983 8.5093 8.9931 9.0928 9.1329 9.1344 k = 0.5000 0.3568 0.0214 ( 5878 PWs) bands (ev): -7.6223 -7.6221 -6.9804 -6.9801 -6.3633 -6.3627 -6.3602 -6.3598 -2.1217 -2.1166 -1.4584 -1.4553 -1.3588 -1.3514 -1.2517 -1.2462 -1.1853 -1.1673 0.0156 0.0320 0.1427 0.1523 0.2142 0.2193 0.3821 0.3927 0.4944 0.4951 0.5023 0.5093 1.4484 1.4492 2.2184 2.2215 2.3830 2.3872 2.9804 2.9845 2.9866 2.9892 4.3743 4.3940 4.5128 4.5325 4.6601 4.6917 4.7727 4.7865 5.0914 5.0979 5.1134 5.1151 7.8847 7.8886 8.0924 8.0931 8.5055 8.5114 9.0106 9.0625 9.1227 9.1280 k = 0.5000 0.3568 0.0000 ( 5862 PWs) bands (ev): -7.6226 -7.6226 -6.9807 -6.9807 -6.3625 -6.3625 -6.3595 -6.3595 -2.1192 -2.1192 -1.4569 -1.4569 -1.3545 -1.3545 -1.2487 -1.2487 -1.1779 -1.1779 0.0235 0.0235 0.1482 0.1482 0.2156 0.2156 0.3878 0.3878 0.4965 0.4965 0.5035 0.5035 1.4488 1.4488 2.2233 2.2233 2.3848 2.3848 2.9817 2.9817 2.9869 2.9869 4.3897 4.3897 4.5257 4.5257 4.6747 4.6747 4.7768 4.7768 5.1035 5.1035 5.1055 5.1055 7.8843 7.8843 8.0905 8.0905 8.5101 8.5101 9.0340 9.0340 9.1228 9.1228 k = 0.0000 0.0000 0.8609 ( 5876 PWs) bands (ev): -7.4433 -7.4433 -6.7181 -6.7181 -6.6111 -6.6111 -6.5771 -6.5771 -1.9680 -1.9680 -1.4713 -1.4713 -1.3954 -1.3954 -1.2508 -1.2508 -1.0472 -1.0472 0.0634 0.0634 0.1245 0.1245 0.2539 0.2539 0.3340 0.3340 0.3898 0.3898 0.5088 0.5088 0.8123 0.8123 1.0495 1.0495 2.5716 2.5716 3.0021 3.0021 3.2021 3.2021 4.1933 4.1933 4.6907 4.6907 5.0295 5.0295 5.3233 5.3233 5.5667 5.5667 5.7868 5.7868 7.2736 7.2736 7.8252 7.8252 8.4417 8.4417 10.6474 10.6474 10.6924 10.6924 k = 0.0179 0.0127 0.8609 ( 5870 PWs) bands (ev): -7.4436 -7.4430 -6.7182 -6.7180 -6.6115 -6.6108 -6.5772 -6.5769 -1.9706 -1.9655 -1.4740 -1.4684 -1.3985 -1.3925 -1.2532 -1.2485 -1.0574 -1.0367 0.0626 0.0641 0.1188 0.1307 0.2489 0.2581 0.3321 0.3357 0.3864 0.3938 0.5072 0.5115 0.8124 0.8132 1.0442 1.0519 2.5532 2.5661 3.0107 3.0208 3.2053 3.2075 4.1915 4.1940 4.6834 4.6874 5.0270 5.0308 5.3126 5.3339 5.5581 5.5685 5.7790 5.7959 7.2775 7.2780 7.8279 7.8292 8.4383 8.4385 10.6299 10.6505 10.6919 10.7054 k = 0.0357 0.0255 0.8609 ( 5872 PWs) bands (ev): -7.4438 -7.4427 -6.7183 -6.7178 -6.6118 -6.6104 -6.5774 -6.5768 -1.9730 -1.9629 -1.4765 -1.4652 -1.4019 -1.3900 -1.2556 -1.2463 -1.0672 -1.0259 0.0615 0.0647 0.1138 0.1372 0.2435 0.2617 0.3300 0.3370 0.3836 0.3984 0.5069 0.5155 0.8136 0.8151 1.0359 1.0516 2.5164 2.5394 3.0438 3.0615 3.2169 3.2213 4.1883 4.1935 4.6659 4.6735 5.0231 5.0311 5.3028 5.3438 5.5427 5.5631 5.7726 5.8060 7.2898 7.2907 7.8372 7.8397 8.4285 8.4290 10.6084 10.6365 10.7067 10.7204 k = 0.0536 0.0382 0.8609 ( 5872 PWs) bands (ev): -7.4441 -7.4425 -6.7184 -6.7176 -6.6122 -6.6101 -6.5776 -6.5767 -1.9754 -1.9604 -1.4787 -1.4618 -1.4053 -1.3879 -1.2579 -1.2441 -1.0763 -1.0150 0.0602 0.0652 0.1095 0.1437 0.2376 0.2645 0.3276 0.3378 0.3815 0.4036 0.5078 0.5207 0.8155 0.8176 1.0249 1.0491 2.4688 2.4992 3.0935 3.1164 3.2367 3.2436 4.1838 4.1916 4.6389 4.6495 5.0178 5.0308 5.2941 5.3521 5.5212 5.5509 5.7680 5.8170 7.3100 7.3114 7.8524 7.8562 8.4125 8.4131 10.5855 10.6169 10.7253 10.7349 k = 0.0714 0.0510 0.8609 ( 5862 PWs) bands (ev): -7.4443 -7.4422 -6.7185 -6.7175 -6.6125 -6.6098 -6.5777 -6.5766 -1.9777 -1.9579 -1.4806 -1.4582 -1.4087 -1.3863 -1.2601 -1.2422 -1.0848 -1.0043 0.0585 0.0659 0.1062 0.1502 0.2316 0.2666 0.3251 0.3380 0.3801 0.4091 0.5099 0.5272 0.8179 0.8203 1.0117 1.0451 2.4162 2.4525 3.1525 3.1792 3.2646 3.2741 4.1778 4.1885 4.6032 4.6159 5.0112 5.0304 5.2866 5.3581 5.4942 5.5327 5.7655 5.8286 7.3379 7.3395 7.8727 7.8775 8.3903 8.3912 10.5620 10.5956 10.7442 10.7481 k = 0.0893 0.0637 0.8609 ( 5852 PWs) bands (ev): -7.4445 -7.4419 -6.7185 -6.7173 -6.6128 -6.6096 -6.5779 -6.5766 -1.9798 -1.9556 -1.4824 -1.4543 -1.4120 -1.3854 -1.2621 -1.2403 -1.0925 -0.9938 0.0565 0.0665 0.1038 0.1565 0.2256 0.2682 0.3224 0.3372 0.3795 0.4149 0.5131 0.5351 0.8202 0.8226 0.9971 1.0405 2.3625 2.4036 3.2154 3.2452 3.3010 3.3129 4.1702 4.1838 4.5599 4.5742 5.0036 5.0302 5.2802 5.3610 5.4632 5.5100 5.7649 5.8403 7.3728 7.3744 7.8968 7.9026 8.3623 8.3636 10.5383 10.5735 10.7600 10.7627 k = 0.1071 0.0764 0.8609 ( 5870 PWs) bands (ev): -7.4447 -7.4417 -6.7185 -6.7171 -6.6132 -6.6093 -6.5781 -6.5766 -1.9818 -1.9534 -1.4838 -1.4504 -1.4152 -1.3850 -1.2640 -1.2387 -1.0994 -0.9839 0.0542 0.0672 0.1023 0.1624 0.2199 0.2694 0.3197 0.3355 0.3797 0.4207 0.5173 0.5445 0.8213 0.8240 0.9821 1.0361 2.3098 2.3555 3.2786 3.3087 3.3482 3.3599 4.1605 4.1773 4.5103 4.5255 4.9948 5.0305 5.2745 5.3585 5.4316 5.4844 5.7661 5.8517 7.4139 7.4153 7.9235 7.9300 8.3290 8.3307 10.5149 10.5513 10.7704 10.7804 k = 0.1250 0.0892 0.8609 ( 5880 PWs) bands (ev): -7.4449 -7.4415 -6.7186 -6.7169 -6.6135 -6.6091 -6.5783 -6.5765 -1.9835 -1.9514 -1.4851 -1.4463 -1.4181 -1.3854 -1.2655 -1.2372 -1.1055 -0.9745 0.0517 0.0680 0.1015 0.1676 0.2146 0.2703 0.3170 0.3330 0.3805 0.4262 0.5223 0.5555 0.8202 0.8239 0.9681 1.0328 2.2599 2.3099 3.3397 3.3650 3.4083 3.4143 4.1488 4.1689 4.4561 4.4716 4.9851 5.0315 5.2690 5.3446 5.4073 5.4582 5.7685 5.8623 7.4604 7.4615 7.9511 7.9580 8.2909 8.2932 10.4922 10.5297 10.7793 10.7970 k = 0.1429 0.1019 0.8609 ( 5874 PWs) bands (ev): -7.4451 -7.4413 -6.7186 -6.7168 -6.6137 -6.6089 -6.5785 -6.5765 -1.9851 -1.9495 -1.4862 -1.4421 -1.4208 -1.3864 -1.2669 -1.2360 -1.1108 -0.9660 0.0493 0.0688 0.1013 0.1721 0.2101 0.2711 0.3144 0.3300 0.3817 0.4312 0.5278 0.5682 0.8156 0.8220 0.9566 1.0312 2.2139 2.2681 3.3981 3.4176 3.4740 3.4750 4.1345 4.1579 4.3989 4.4143 4.9743 5.0334 5.2635 5.3154 5.3961 5.4331 5.7716 5.8718 7.5114 7.5119 7.9783 7.9848 8.2487 8.2520 10.4707 10.5091 10.7869 10.8123 k = 0.1607 0.1147 0.8609 ( 5882 PWs) bands (ev): -7.4452 -7.4411 -6.7186 -6.7166 -6.6140 -6.6088 -6.5787 -6.5765 -1.9865 -1.9479 -1.4870 -1.4380 -1.4232 -1.3879 -1.2679 -1.2349 -1.1152 -0.9584 0.0470 0.0695 0.1015 0.1754 0.2066 0.2719 0.3120 0.3266 0.3831 0.4355 0.5336 0.5825 0.8065 0.8184 0.9486 1.0314 2.1729 2.2310 3.4541 3.4702 3.5357 3.5416 4.1178 4.1439 4.3411 4.3555 4.9629 5.0363 5.2576 5.2786 5.3921 5.4109 5.7749 5.8801 7.5655 7.5659 8.0031 8.0080 8.2034 8.2089 10.4510 10.4903 10.7932 10.8260 k = 0.1786 0.1274 0.8609 ( 5884 PWs) bands (ev): -7.4453 -7.4409 -6.7186 -6.7165 -6.6142 -6.6087 -6.5788 -6.5765 -1.9876 -1.9466 -1.4877 -1.4339 -1.4252 -1.3899 -1.2688 -1.2340 -1.1187 -0.9520 0.0451 0.0702 0.1019 0.1775 0.2044 0.2726 0.3099 0.3232 0.3845 0.4391 0.5393 0.5980 0.7934 0.8135 0.9443 1.0331 2.1379 2.1995 3.5068 3.5225 3.5964 3.6046 4.0987 4.1257 4.2859 4.2975 4.9514 5.0405 5.2412 5.2517 5.3905 5.3928 5.7780 5.8869 7.6211 7.6226 8.0233 8.0235 8.1573 8.1674 10.4338 10.4738 10.7982 10.8378 k = 0.1964 0.1402 0.8609 ( 5880 PWs) bands (ev): -7.4454 -7.4408 -6.7186 -6.7164 -6.6144 -6.6086 -6.5789 -6.5765 -1.9885 -1.9455 -1.4882 -1.4302 -1.4268 -1.3921 -1.2693 -1.2334 -1.1215 -0.9469 0.0434 0.0709 0.1024 0.1785 0.2033 0.2733 0.3082 0.3201 0.3857 0.4419 0.5444 0.6142 0.7776 0.8084 0.9426 1.0355 2.1096 2.1742 3.5544 3.5724 3.6536 3.6608 4.0784 4.1019 4.2381 4.2432 4.9407 5.0461 5.2067 5.2460 5.3792 5.3898 5.7806 5.8923 7.6769 7.6802 8.0230 8.0332 8.1160 8.1357 10.4196 10.4603 10.8021 10.8474 k = 0.2143 0.1529 0.8609 ( 5888 PWs) bands (ev): -7.4455 -7.4407 -6.7186 -6.7163 -6.6145 -6.6085 -6.5790 -6.5765 -1.9891 -1.9447 -1.4885 -1.4280 -1.4270 -1.3942 -1.2698 -1.2329 -1.1234 -0.9431 0.0422 0.0713 0.1028 0.1786 0.2031 0.2739 0.3068 0.3177 0.3866 0.4439 0.5486 0.6297 0.7615 0.8037 0.9424 1.0380 2.0887 2.1557 3.5931 3.6160 3.7042 3.7065 4.0592 4.0728 4.1968 4.2027 4.9319 5.0527 5.1779 5.2413 5.3699 5.3894 5.7826 5.8961 7.7301 7.7362 7.9993 8.0200 8.0944 8.1225 10.4090 10.4502 10.8048 10.8545 k = 0.2321 0.1656 0.8609 ( 5884 PWs) bands (ev): -7.4455 -7.4407 -6.7186 -6.7162 -6.6145 -6.6085 -6.5791 -6.5765 -1.9895 -1.9443 -1.4888 -1.4287 -1.4248 -1.3958 -1.2700 -1.2326 -1.1246 -0.9408 0.0415 0.0716 0.1031 0.1784 0.2032 0.2743 0.3060 0.3161 0.3872 0.4451 0.5512 0.6422 0.7483 0.8006 0.9427 1.0398 2.0760 2.1445 3.6187 3.6473 3.7368 3.7421 4.0451 4.0452 4.1639 4.1821 4.9260 5.0589 5.1576 5.2381 5.3646 5.3892 5.7839 5.8984 7.7741 7.7850 7.9638 7.9895 8.0923 8.1210 10.4025 10.4439 10.8065 10.8589 k = 0.2500 0.1784 0.8609 ( 5868 PWs) bands (ev): -7.4456 -7.4407 -6.7185 -6.7162 -6.6146 -6.6084 -6.5791 -6.5765 -1.9896 -1.9441 -1.4888 -1.4289 -1.4239 -1.3965 -1.2701 -1.2325 -1.1250 -0.9401 0.0412 0.0718 0.1032 0.1783 0.2032 0.2745 0.3057 0.3155 0.3874 0.4455 0.5522 0.6473 0.7430 0.7994 0.9429 1.0405 2.0717 2.1407 3.6277 3.6590 3.7475 3.7570 4.0332 4.0399 4.1518 4.1754 4.9240 5.0617 5.1500 5.2370 5.3629 5.3891 5.7843 5.8992 7.7934 7.8083 7.9441 7.9734 8.0930 8.1214 10.4003 10.4418 10.8070 10.8604 Writing output data file Hg2GeSe4.save init_run : 3.75s CPU 11.84s WALL ( 1 calls) electrons : 1493.94s CPU 1505.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.45s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1493.83s CPU 1504.78s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.89s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.16s CPU 0.67s WALL ( 1 calls) newd : 0.31s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.17s WALL ( 272 calls) cegterg : 1434.42s CPU 1442.37s WALL ( 605 calls) Called by sum_band: Called by *egterg: h_psi : 848.69s CPU 858.33s WALL ( 11270 calls) s_psi : 33.00s CPU 33.16s WALL ( 11270 calls) g_psi : 1.54s CPU 1.54s WALL ( 10393 calls) cdiaghg : 387.10s CPU 384.73s WALL ( 10665 calls) cegterg:over : 108.71s CPU 106.91s WALL ( 10393 calls) cegterg:upda : 31.00s CPU 33.84s WALL ( 10393 calls) cegterg:last : 27.95s CPU 28.87s WALL ( 2413 calls) Called by h_psi: h_psi:vloc : 773.38s CPU 780.82s WALL ( 11270 calls) h_psi:vnl : 74.68s CPU 76.04s WALL ( 11270 calls) add_vuspsi : 24.93s CPU 28.39s WALL ( 11270 calls) General routines calbec : 49.70s CPU 47.57s WALL ( 11270 calls) fft : 0.45s CPU 1.30s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 717.01s CPU 719.31s WALL ( 1788276 calls) interpolate : 0.11s CPU 0.19s WALL ( 4 calls) davcio : 0.03s CPU 1.39s WALL ( 544 calls) Parallel routines fft_scatter : 407.04s CPU 402.70s WALL ( 1788299 calls) PWSCF : 25m55.71s CPU 28m11.02s WALL This run was terminated on: 14:37:20 27Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=