Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 23:50:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaSb2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 13 4 1236 609 93 Max 22 14 5 1246 628 102 Sum 1557 979 289 89413 44471 7107 bravais-lattice index = 14 lattice parameter (alat) = 8.2326 a.u. unit-cell volume = 1406.1189 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.232591 celldm(2)= 1.188224 celldm(3)= 2.164742 celldm(4)= 0.200309 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.188224 0.000000 ) a(3) = ( 0.000000 0.433616 2.120869 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.841592 -0.172065 ) b(3) = ( 0.000000 0.000000 0.471505 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Sb 5.00 121.76000 Sb( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 254 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0000000 0.0130974), wk = 0.0039370 k( 3) = ( 0.0000000 0.0000000 0.0261947), wk = 0.0039370 k( 4) = ( 0.0000000 0.0000000 0.0392921), wk = 0.0039370 k( 5) = ( 0.0000000 0.0000000 0.0523894), wk = 0.0039370 k( 6) = ( 0.0000000 0.0000000 0.0654868), wk = 0.0039370 k( 7) = ( 0.0000000 0.0000000 0.0785841), wk = 0.0039370 k( 8) = ( 0.0000000 0.0000000 0.0916815), wk = 0.0039370 k( 9) = ( 0.0000000 0.0000000 0.1047788), wk = 0.0039370 k( 10) = ( 0.0000000 0.0000000 0.1178762), wk = 0.0039370 k( 11) = ( 0.0000000 0.0000000 0.1309736), wk = 0.0039370 k( 12) = ( 0.0000000 0.0000000 0.1440709), wk = 0.0039370 k( 13) = ( 0.0000000 0.0000000 0.1571683), wk = 0.0039370 k( 14) = ( 0.0000000 0.0000000 0.1702656), wk = 0.0039370 k( 15) = ( 0.0000000 0.0000000 0.1833630), wk = 0.0039370 k( 16) = ( 0.0000000 0.0000000 0.1964603), wk = 0.0039370 k( 17) = ( 0.0000000 0.0000000 0.2095577), wk = 0.0039370 k( 18) = ( 0.0000000 0.0000000 0.2226550), wk = 0.0039370 k( 19) = ( 0.0000000 0.0000000 0.2357524), wk = 0.0039370 k( 20) = ( 0.0000000 0.0000000 0.2357524), wk = 0.0039370 k( 21) = ( 0.0000000 0.0134547 0.2357524), wk = 0.0039370 k( 22) = ( 0.0000000 0.0269093 0.2357524), wk = 0.0039370 k( 23) = ( 0.0000000 0.0403640 0.2357524), wk = 0.0039370 k( 24) = ( 0.0000000 0.0538187 0.2357524), wk = 0.0039370 k( 25) = ( 0.0000000 0.0672733 0.2357524), wk = 0.0039370 k( 26) = ( 0.0000000 0.0807280 0.2357524), wk = 0.0039370 k( 27) = ( 0.0000000 0.0941827 0.2357524), wk = 0.0039370 k( 28) = ( 0.0000000 0.1076373 0.2357524), wk = 0.0039370 k( 29) = ( 0.0000000 0.1210920 0.2357524), wk = 0.0039370 k( 30) = ( 0.0000000 0.1345467 0.2357524), wk = 0.0039370 k( 31) = ( 0.0000000 0.1480014 0.2357524), wk = 0.0039370 k( 32) = ( 0.0000000 0.1614560 0.2357524), wk = 0.0039370 k( 33) = ( 0.0000000 0.1749107 0.2357524), wk = 0.0039370 k( 34) = ( 0.0000000 0.1883654 0.2357524), wk = 0.0039370 k( 35) = ( 0.0000000 0.2018200 0.2357524), wk = 0.0039370 k( 36) = ( 0.0000000 0.2152747 0.2357524), wk = 0.0039370 k( 37) = ( 0.0000000 0.2287294 0.2357524), wk = 0.0039370 k( 38) = ( 0.0000000 0.2421840 0.2357524), wk = 0.0039370 k( 39) = ( 0.0000000 0.2556387 0.2357524), wk = 0.0039370 k( 40) = ( 0.0000000 0.2690934 0.2357524), wk = 0.0039370 k( 41) = ( 0.0000000 0.2825480 0.2357524), wk = 0.0039370 k( 42) = ( 0.0000000 0.2960027 0.2357524), wk = 0.0039370 k( 43) = ( 0.0000000 0.3094574 0.2357524), wk = 0.0039370 k( 44) = ( 0.0000000 0.3229120 0.2357524), wk = 0.0039370 k( 45) = ( 0.0000000 0.3363667 0.2357524), wk = 0.0039370 k( 46) = ( 0.0000000 0.3498214 0.2357524), wk = 0.0039370 k( 47) = ( 0.0000000 0.3632760 0.2357524), wk = 0.0039370 k( 48) = ( 0.0000000 0.3767307 0.2357524), wk = 0.0039370 k( 49) = ( 0.0000000 0.3901854 0.2357524), wk = 0.0039370 k( 50) = ( 0.0000000 0.3901854 0.2357524), wk = 0.0039370 k( 51) = ( 0.0000000 0.3945583 0.2234620), wk = 0.0039370 k( 52) = ( 0.0000000 0.3989312 0.2111716), wk = 0.0039370 k( 53) = ( 0.0000000 0.4033042 0.1988813), wk = 0.0039370 k( 54) = ( 0.0000000 0.4076771 0.1865909), wk = 0.0039370 k( 55) = ( 0.0000000 0.4120500 0.1743005), wk = 0.0039370 k( 56) = ( 0.0000000 0.4164230 0.1620101), wk = 0.0039370 k( 57) = ( 0.0000000 0.4207959 0.1497198), wk = 0.0039370 k( 58) = ( 0.0000000 0.4207959 0.1497198), wk = 0.0039370 k( 59) = ( 0.0135135 0.4207959 0.1497198), wk = 0.0039370 k( 60) = ( 0.0270270 0.4207959 0.1497198), wk = 0.0039370 k( 61) = ( 0.0405405 0.4207959 0.1497198), wk = 0.0039370 k( 62) = ( 0.0540540 0.4207959 0.1497198), wk = 0.0039370 k( 63) = ( 0.0675676 0.4207959 0.1497198), wk = 0.0039370 k( 64) = ( 0.0810811 0.4207959 0.1497198), wk = 0.0039370 k( 65) = ( 0.0945946 0.4207959 0.1497198), wk = 0.0039370 k( 66) = ( 0.1081081 0.4207959 0.1497198), wk = 0.0039370 k( 67) = ( 0.1216216 0.4207959 0.1497198), wk = 0.0039370 k( 68) = ( 0.1351351 0.4207959 0.1497198), wk = 0.0039370 k( 69) = ( 0.1486486 0.4207959 0.1497198), wk = 0.0039370 k( 70) = ( 0.1621622 0.4207959 0.1497198), wk = 0.0039370 k( 71) = ( 0.1756757 0.4207959 0.1497198), wk = 0.0039370 k( 72) = ( 0.1891892 0.4207959 0.1497198), wk = 0.0039370 k( 73) = ( 0.2027027 0.4207959 0.1497198), wk = 0.0039370 k( 74) = ( 0.2162162 0.4207959 0.1497198), wk = 0.0039370 k( 75) = ( 0.2297297 0.4207959 0.1497198), wk = 0.0039370 k( 76) = ( 0.2432432 0.4207959 0.1497198), wk = 0.0039370 k( 77) = ( 0.2567568 0.4207959 0.1497198), wk = 0.0039370 k( 78) = ( 0.2702703 0.4207959 0.1497198), wk = 0.0039370 k( 79) = ( 0.2837838 0.4207959 0.1497198), wk = 0.0039370 k( 80) = ( 0.2972973 0.4207959 0.1497198), wk = 0.0039370 k( 81) = ( 0.3108108 0.4207959 0.1497198), wk = 0.0039370 k( 82) = ( 0.3243243 0.4207959 0.1497198), wk = 0.0039370 k( 83) = ( 0.3378378 0.4207959 0.1497198), wk = 0.0039370 k( 84) = ( 0.3513514 0.4207959 0.1497198), wk = 0.0039370 k( 85) = ( 0.3648649 0.4207959 0.1497198), wk = 0.0039370 k( 86) = ( 0.3783784 0.4207959 0.1497198), wk = 0.0039370 k( 87) = ( 0.3918919 0.4207959 0.1497198), wk = 0.0039370 k( 88) = ( 0.4054054 0.4207959 0.1497198), wk = 0.0039370 k( 89) = ( 0.4189189 0.4207959 0.1497198), wk = 0.0039370 k( 90) = ( 0.4324324 0.4207959 0.1497198), wk = 0.0039370 k( 91) = ( 0.4459459 0.4207959 0.1497198), wk = 0.0039370 k( 92) = ( 0.4594595 0.4207959 0.1497198), wk = 0.0039370 k( 93) = ( 0.4729730 0.4207959 0.1497198), wk = 0.0039370 k( 94) = ( 0.4864865 0.4207959 0.1497198), wk = 0.0039370 k( 95) = ( 0.5000000 0.4207959 0.1497198), wk = 0.0039370 k( 96) = ( 0.5000000 0.4207959 0.1497198), wk = 0.0039370 k( 97) = ( 0.5000000 0.4251688 0.1374294), wk = 0.0039370 k( 98) = ( 0.5000000 0.4295418 0.1251390), wk = 0.0039370 k( 99) = ( 0.5000000 0.4339147 0.1128486), wk = 0.0039370 k( 100) = ( 0.5000000 0.4382876 0.1005583), wk = 0.0039370 k( 101) = ( 0.5000000 0.4426606 0.0882679), wk = 0.0039370 k( 102) = ( 0.5000000 0.4470335 0.0759775), wk = 0.0039370 k( 103) = ( 0.5000000 0.4514064 0.0636871), wk = 0.0039370 k( 104) = ( 0.5000000 0.4514064 0.0636871), wk = 0.0039370 k( 105) = ( 0.5000000 0.4488556 0.0512105), wk = 0.0039370 k( 106) = ( 0.5000000 0.4463047 0.0387338), wk = 0.0039370 k( 107) = ( 0.5000000 0.4437538 0.0262572), wk = 0.0039370 k( 108) = ( 0.5000000 0.4412029 0.0137805), wk = 0.0039370 k( 109) = ( 0.5000000 0.4386521 0.0013039), wk = 0.0039370 k( 110) = ( 0.5000000 0.4361012 -0.0111728), wk = 0.0039370 k( 111) = ( 0.5000000 0.4335503 -0.0236494), wk = 0.0039370 k( 112) = ( 0.5000000 0.4309994 -0.0361260), wk = 0.0039370 k( 113) = ( 0.5000000 0.4284485 -0.0486027), wk = 0.0039370 k( 114) = ( 0.5000000 0.4258977 -0.0610793), wk = 0.0039370 k( 115) = ( 0.5000000 0.4233468 -0.0735560), wk = 0.0039370 k( 116) = ( 0.5000000 0.4207959 -0.0860326), wk = 0.0039370 k( 117) = ( 0.5000000 0.4207959 -0.0860326), wk = 0.0039370 k( 118) = ( 0.4864865 0.4207959 -0.0860326), wk = 0.0039370 k( 119) = ( 0.4729730 0.4207959 -0.0860326), wk = 0.0039370 k( 120) = ( 0.4594595 0.4207959 -0.0860326), wk = 0.0039370 k( 121) = ( 0.4459459 0.4207959 -0.0860326), wk = 0.0039370 k( 122) = ( 0.4324324 0.4207959 -0.0860326), wk = 0.0039370 k( 123) = ( 0.4189189 0.4207959 -0.0860326), wk = 0.0039370 k( 124) = ( 0.4054054 0.4207959 -0.0860326), wk = 0.0039370 k( 125) = ( 0.3918919 0.4207959 -0.0860326), wk = 0.0039370 k( 126) = ( 0.3783784 0.4207959 -0.0860326), wk = 0.0039370 k( 127) = ( 0.3648649 0.4207959 -0.0860326), wk = 0.0039370 k( 128) = ( 0.3513514 0.4207959 -0.0860326), wk = 0.0039370 k( 129) = ( 0.3378378 0.4207959 -0.0860326), wk = 0.0039370 k( 130) = ( 0.3243243 0.4207959 -0.0860326), wk = 0.0039370 k( 131) = ( 0.3108108 0.4207959 -0.0860326), wk = 0.0039370 k( 132) = ( 0.2972973 0.4207959 -0.0860326), wk = 0.0039370 k( 133) = ( 0.2837838 0.4207959 -0.0860326), wk = 0.0039370 k( 134) = ( 0.2702703 0.4207959 -0.0860326), wk = 0.0039370 k( 135) = ( 0.2567568 0.4207959 -0.0860326), wk = 0.0039370 k( 136) = ( 0.2432432 0.4207959 -0.0860326), wk = 0.0039370 k( 137) = ( 0.2297297 0.4207959 -0.0860326), wk = 0.0039370 k( 138) = ( 0.2162162 0.4207959 -0.0860326), wk = 0.0039370 k( 139) = ( 0.2027027 0.4207959 -0.0860326), wk = 0.0039370 k( 140) = ( 0.1891892 0.4207959 -0.0860326), wk = 0.0039370 k( 141) = ( 0.1756757 0.4207959 -0.0860326), wk = 0.0039370 k( 142) = ( 0.1621622 0.4207959 -0.0860326), wk = 0.0039370 k( 143) = ( 0.1486486 0.4207959 -0.0860326), wk = 0.0039370 k( 144) = ( 0.1351351 0.4207959 -0.0860326), wk = 0.0039370 k( 145) = ( 0.1216216 0.4207959 -0.0860326), wk = 0.0039370 k( 146) = ( 0.1081081 0.4207959 -0.0860326), wk = 0.0039370 k( 147) = ( 0.0945946 0.4207959 -0.0860326), wk = 0.0039370 k( 148) = ( 0.0810811 0.4207959 -0.0860326), wk = 0.0039370 k( 149) = ( 0.0675676 0.4207959 -0.0860326), wk = 0.0039370 k( 150) = ( 0.0540540 0.4207959 -0.0860326), wk = 0.0039370 k( 151) = ( 0.0405405 0.4207959 -0.0860326), wk = 0.0039370 k( 152) = ( 0.0270270 0.4207959 -0.0860326), wk = 0.0039370 k( 153) = ( 0.0135135 0.4207959 -0.0860326), wk = 0.0039370 k( 154) = ( 0.0000000 0.4207959 -0.0860326), wk = 0.0039370 k( 155) = ( 0.0000000 0.4207959 -0.0860326), wk = 0.0039370 k( 156) = ( 0.0000000 0.4233468 -0.0735560), wk = 0.0039370 k( 157) = ( 0.0000000 0.4258977 -0.0610793), wk = 0.0039370 k( 158) = ( 0.0000000 0.4284485 -0.0486027), wk = 0.0039370 k( 159) = ( 0.0000000 0.4309994 -0.0361260), wk = 0.0039370 k( 160) = ( 0.0000000 0.4335503 -0.0236494), wk = 0.0039370 k( 161) = ( 0.0000000 0.4361012 -0.0111728), wk = 0.0039370 k( 162) = ( 0.0000000 0.4386521 0.0013039), wk = 0.0039370 k( 163) = ( 0.0000000 0.4412029 0.0137805), wk = 0.0039370 k( 164) = ( 0.0000000 0.4437538 0.0262572), wk = 0.0039370 k( 165) = ( 0.0000000 0.4463047 0.0387338), wk = 0.0039370 k( 166) = ( 0.0000000 0.4488556 0.0512105), wk = 0.0039370 k( 167) = ( 0.0000000 0.4514064 0.0636871), wk = 0.0039370 k( 168) = ( 0.5000000 0.3901854 0.2357524), wk = 0.0039370 k( 169) = ( 0.5000000 0.3767307 0.2357524), wk = 0.0039370 k( 170) = ( 0.5000000 0.3632760 0.2357524), wk = 0.0039370 k( 171) = ( 0.5000000 0.3498214 0.2357524), wk = 0.0039370 k( 172) = ( 0.5000000 0.3363667 0.2357524), wk = 0.0039370 k( 173) = ( 0.5000000 0.3229120 0.2357524), wk = 0.0039370 k( 174) = ( 0.5000000 0.3094574 0.2357524), wk = 0.0039370 k( 175) = ( 0.5000000 0.2960027 0.2357524), wk = 0.0039370 k( 176) = ( 0.5000000 0.2825480 0.2357524), wk = 0.0039370 k( 177) = ( 0.5000000 0.2690934 0.2357524), wk = 0.0039370 k( 178) = ( 0.5000000 0.2556387 0.2357524), wk = 0.0039370 k( 179) = ( 0.5000000 0.2421840 0.2357524), wk = 0.0039370 k( 180) = ( 0.5000000 0.2287294 0.2357524), wk = 0.0039370 k( 181) = ( 0.5000000 0.2152747 0.2357524), wk = 0.0039370 k( 182) = ( 0.5000000 0.2018200 0.2357524), wk = 0.0039370 k( 183) = ( 0.5000000 0.1883654 0.2357524), wk = 0.0039370 k( 184) = ( 0.5000000 0.1749107 0.2357524), wk = 0.0039370 k( 185) = ( 0.5000000 0.1614560 0.2357524), wk = 0.0039370 k( 186) = ( 0.5000000 0.1480014 0.2357524), wk = 0.0039370 k( 187) = ( 0.5000000 0.1345467 0.2357524), wk = 0.0039370 k( 188) = ( 0.5000000 0.1210920 0.2357524), wk = 0.0039370 k( 189) = ( 0.5000000 0.1076373 0.2357524), wk = 0.0039370 k( 190) = ( 0.5000000 0.0941827 0.2357524), wk = 0.0039370 k( 191) = ( 0.5000000 0.0807280 0.2357524), wk = 0.0039370 k( 192) = ( 0.5000000 0.0672733 0.2357524), wk = 0.0039370 k( 193) = ( 0.5000000 0.0538187 0.2357524), wk = 0.0039370 k( 194) = ( 0.5000000 0.0403640 0.2357524), wk = 0.0039370 k( 195) = ( 0.5000000 0.0269093 0.2357524), wk = 0.0039370 k( 196) = ( 0.5000000 0.0134547 0.2357524), wk = 0.0039370 k( 197) = ( 0.5000000 -0.0000000 0.2357524), wk = 0.0039370 k( 198) = ( 0.5000000 -0.0000000 0.2357524), wk = 0.0039370 k( 199) = ( 0.5000000 -0.0000000 0.2226550), wk = 0.0039370 k( 200) = ( 0.5000000 -0.0000000 0.2095577), wk = 0.0039370 k( 201) = ( 0.5000000 -0.0000000 0.1964603), wk = 0.0039370 k( 202) = ( 0.5000000 -0.0000000 0.1833630), wk = 0.0039370 k( 203) = ( 0.5000000 -0.0000000 0.1702656), wk = 0.0039370 k( 204) = ( 0.5000000 -0.0000000 0.1571683), wk = 0.0039370 k( 205) = ( 0.5000000 -0.0000000 0.1440709), wk = 0.0039370 k( 206) = ( 0.5000000 -0.0000000 0.1309736), wk = 0.0039370 k( 207) = ( 0.5000000 -0.0000000 0.1178762), wk = 0.0039370 k( 208) = ( 0.5000000 -0.0000000 0.1047788), wk = 0.0039370 k( 209) = ( 0.5000000 -0.0000000 0.0916815), wk = 0.0039370 k( 210) = ( 0.5000000 -0.0000000 0.0785841), wk = 0.0039370 k( 211) = ( 0.5000000 -0.0000000 0.0654868), wk = 0.0039370 k( 212) = ( 0.5000000 -0.0000000 0.0523894), wk = 0.0039370 k( 213) = ( 0.5000000 -0.0000000 0.0392921), wk = 0.0039370 k( 214) = ( 0.5000000 -0.0000000 0.0261947), wk = 0.0039370 k( 215) = ( 0.5000000 -0.0000000 0.0130974), wk = 0.0039370 k( 216) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039370 k( 217) = ( 0.0000000 0.0000000 0.2357524), wk = 0.0039370 k( 218) = ( 0.0135135 -0.0000000 0.2357524), wk = 0.0039370 k( 219) = ( 0.0270270 -0.0000000 0.2357524), wk = 0.0039370 k( 220) = ( 0.0405405 -0.0000000 0.2357524), wk = 0.0039370 k( 221) = ( 0.0540540 -0.0000000 0.2357524), wk = 0.0039370 k( 222) = ( 0.0675676 -0.0000000 0.2357524), wk = 0.0039370 k( 223) = ( 0.0810811 -0.0000000 0.2357524), wk = 0.0039370 k( 224) = ( 0.0945946 -0.0000000 0.2357524), wk = 0.0039370 k( 225) = ( 0.1081081 -0.0000000 0.2357524), wk = 0.0039370 k( 226) = ( 0.1216216 -0.0000000 0.2357524), wk = 0.0039370 k( 227) = ( 0.1351351 -0.0000000 0.2357524), wk = 0.0039370 k( 228) = ( 0.1486486 -0.0000000 0.2357524), wk = 0.0039370 k( 229) = ( 0.1621622 -0.0000000 0.2357524), wk = 0.0039370 k( 230) = ( 0.1756757 -0.0000000 0.2357524), wk = 0.0039370 k( 231) = ( 0.1891892 -0.0000000 0.2357524), wk = 0.0039370 k( 232) = ( 0.2027027 -0.0000000 0.2357524), wk = 0.0039370 k( 233) = ( 0.2162162 -0.0000000 0.2357524), wk = 0.0039370 k( 234) = ( 0.2297297 -0.0000000 0.2357524), wk = 0.0039370 k( 235) = ( 0.2432432 -0.0000000 0.2357524), wk = 0.0039370 k( 236) = ( 0.2567568 -0.0000000 0.2357524), wk = 0.0039370 k( 237) = ( 0.2702703 -0.0000000 0.2357524), wk = 0.0039370 k( 238) = ( 0.2837838 -0.0000000 0.2357524), wk = 0.0039370 k( 239) = ( 0.2972973 -0.0000000 0.2357524), wk = 0.0039370 k( 240) = ( 0.3108108 -0.0000000 0.2357524), wk = 0.0039370 k( 241) = ( 0.3243243 -0.0000000 0.2357524), wk = 0.0039370 k( 242) = ( 0.3378378 -0.0000000 0.2357524), wk = 0.0039370 k( 243) = ( 0.3513514 -0.0000000 0.2357524), wk = 0.0039370 k( 244) = ( 0.3648649 -0.0000000 0.2357524), wk = 0.0039370 k( 245) = ( 0.3783784 -0.0000000 0.2357524), wk = 0.0039370 k( 246) = ( 0.3918919 -0.0000000 0.2357524), wk = 0.0039370 k( 247) = ( 0.4054054 -0.0000000 0.2357524), wk = 0.0039370 k( 248) = ( 0.4189189 -0.0000000 0.2357524), wk = 0.0039370 k( 249) = ( 0.4324324 -0.0000000 0.2357524), wk = 0.0039370 k( 250) = ( 0.4459459 -0.0000000 0.2357524), wk = 0.0039370 k( 251) = ( 0.4594595 -0.0000000 0.2357524), wk = 0.0039370 k( 252) = ( 0.4729730 -0.0000000 0.2357524), wk = 0.0039370 k( 253) = ( 0.4864865 -0.0000000 0.2357524), wk = 0.0039370 k( 254) = ( 0.5000000 -0.0000000 0.2357524), wk = 0.0039370 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0039370 k( 3) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0039370 k( 4) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039370 k( 5) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0039370 k( 6) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0039370 k( 7) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039370 k( 8) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0039370 k( 9) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0039370 k( 10) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039370 k( 11) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0039370 k( 12) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0039370 k( 13) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039370 k( 14) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0039370 k( 15) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0039370 k( 16) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039370 k( 17) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0039370 k( 18) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0039370 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.0159872 0.5058342), wk = 0.0039370 k( 22) = ( 0.0000000 0.0319743 0.5116683), wk = 0.0039370 k( 23) = ( 0.0000000 0.0479615 0.5175025), wk = 0.0039370 k( 24) = ( 0.0000000 0.0639487 0.5233366), wk = 0.0039370 k( 25) = ( 0.0000000 0.0799358 0.5291708), wk = 0.0039370 k( 26) = ( 0.0000000 0.0959230 0.5350050), wk = 0.0039370 k( 27) = ( 0.0000000 0.1119102 0.5408391), wk = 0.0039370 k( 28) = ( 0.0000000 0.1278973 0.5466733), wk = 0.0039370 k( 29) = ( 0.0000000 0.1438845 0.5525075), wk = 0.0039370 k( 30) = ( 0.0000000 0.1598717 0.5583416), wk = 0.0039370 k( 31) = ( 0.0000000 0.1758588 0.5641758), wk = 0.0039370 k( 32) = ( 0.0000000 0.1918460 0.5700100), wk = 0.0039370 k( 33) = ( 0.0000000 0.2078332 0.5758441), wk = 0.0039370 k( 34) = ( 0.0000000 0.2238203 0.5816783), wk = 0.0039370 k( 35) = ( 0.0000000 0.2398075 0.5875124), wk = 0.0039370 k( 36) = ( 0.0000000 0.2557947 0.5933466), wk = 0.0039370 k( 37) = ( 0.0000000 0.2717818 0.5991808), wk = 0.0039370 k( 38) = ( 0.0000000 0.2877690 0.6050149), wk = 0.0039370 k( 39) = ( 0.0000000 0.3037562 0.6108491), wk = 0.0039370 k( 40) = ( 0.0000000 0.3197433 0.6166833), wk = 0.0039370 k( 41) = ( 0.0000000 0.3357305 0.6225174), wk = 0.0039370 k( 42) = ( 0.0000000 0.3517177 0.6283516), wk = 0.0039370 k( 43) = ( 0.0000000 0.3677048 0.6341858), wk = 0.0039370 k( 44) = ( 0.0000000 0.3836920 0.6400199), wk = 0.0039370 k( 45) = ( 0.0000000 0.3996791 0.6458541), wk = 0.0039370 k( 46) = ( 0.0000000 0.4156663 0.6516882), wk = 0.0039370 k( 47) = ( 0.0000000 0.4316535 0.6575224), wk = 0.0039370 k( 48) = ( 0.0000000 0.4476406 0.6633566), wk = 0.0039370 k( 49) = ( 0.0000000 0.4636278 0.6691907), wk = 0.0039370 k( 50) = ( 0.0000000 0.4636278 0.6691907), wk = 0.0039370 k( 51) = ( 0.0000000 0.4688238 0.6450206), wk = 0.0039370 k( 52) = ( 0.0000000 0.4740199 0.6208505), wk = 0.0039370 k( 53) = ( 0.0000000 0.4792159 0.5966804), wk = 0.0039370 k( 54) = ( 0.0000000 0.4844119 0.5725103), wk = 0.0039370 k( 55) = ( 0.0000000 0.4896079 0.5483402), wk = 0.0039370 k( 56) = ( 0.0000000 0.4948040 0.5241701), wk = 0.0039370 k( 57) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 58) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 59) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0039370 k( 60) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0039370 k( 61) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0039370 k( 62) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0039370 k( 63) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0039370 k( 64) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0039370 k( 65) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0039370 k( 66) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0039370 k( 67) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0039370 k( 68) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0039370 k( 69) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0039370 k( 70) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0039370 k( 71) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0039370 k( 72) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0039370 k( 73) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0039370 k( 74) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0039370 k( 75) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0039370 k( 76) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0039370 k( 77) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0039370 k( 78) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0039370 k( 79) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0039370 k( 80) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0039370 k( 81) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0039370 k( 82) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0039370 k( 83) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0039370 k( 84) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0039370 k( 85) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0039370 k( 86) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0039370 k( 87) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0039370 k( 88) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0039370 k( 89) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0039370 k( 90) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0039370 k( 91) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0039370 k( 92) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0039370 k( 93) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0039370 k( 94) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0039370 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 97) = ( 0.5000000 0.5051960 0.4758299), wk = 0.0039370 k( 98) = ( 0.5000000 0.5103921 0.4516598), wk = 0.0039370 k( 99) = ( 0.5000000 0.5155881 0.4274897), wk = 0.0039370 k( 100) = ( 0.5000000 0.5207841 0.4033196), wk = 0.0039370 k( 101) = ( 0.5000000 0.5259801 0.3791495), wk = 0.0039370 k( 102) = ( 0.5000000 0.5311762 0.3549794), wk = 0.0039370 k( 103) = ( 0.5000000 0.5363722 0.3308093), wk = 0.0039370 k( 104) = ( 0.5000000 0.5363722 0.3308093), wk = 0.0039370 k( 105) = ( 0.5000000 0.5333412 0.3032418), wk = 0.0039370 k( 106) = ( 0.5000000 0.5303102 0.2756744), wk = 0.0039370 k( 107) = ( 0.5000000 0.5272791 0.2481069), wk = 0.0039370 k( 108) = ( 0.5000000 0.5242481 0.2205395), wk = 0.0039370 k( 109) = ( 0.5000000 0.5212171 0.1929721), wk = 0.0039370 k( 110) = ( 0.5000000 0.5181861 0.1654046), wk = 0.0039370 k( 111) = ( 0.5000000 0.5151551 0.1378372), wk = 0.0039370 k( 112) = ( 0.5000000 0.5121241 0.1102697), wk = 0.0039370 k( 113) = ( 0.5000000 0.5090931 0.0827023), wk = 0.0039370 k( 114) = ( 0.5000000 0.5060620 0.0551349), wk = 0.0039370 k( 115) = ( 0.5000000 0.5030310 0.0275674), wk = 0.0039370 k( 116) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 117) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 118) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0039370 k( 119) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0039370 k( 120) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0039370 k( 121) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0039370 k( 122) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0039370 k( 123) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0039370 k( 124) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0039370 k( 125) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0039370 k( 126) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0039370 k( 127) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0039370 k( 128) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0039370 k( 129) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0039370 k( 130) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0039370 k( 131) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0039370 k( 132) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0039370 k( 133) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0039370 k( 134) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0039370 k( 135) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0039370 k( 136) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0039370 k( 137) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0039370 k( 138) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0039370 k( 139) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0039370 k( 140) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0039370 k( 141) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0039370 k( 142) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0039370 k( 143) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0039370 k( 144) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0039370 k( 145) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0039370 k( 146) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0039370 k( 147) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0039370 k( 148) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0039370 k( 149) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0039370 k( 150) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0039370 k( 151) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0039370 k( 152) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0039370 k( 153) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0039370 k( 154) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 155) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 156) = ( 0.0000000 0.5030310 0.0275674), wk = 0.0039370 k( 157) = ( 0.0000000 0.5060620 0.0551349), wk = 0.0039370 k( 158) = ( 0.0000000 0.5090931 0.0827023), wk = 0.0039370 k( 159) = ( 0.0000000 0.5121241 0.1102698), wk = 0.0039370 k( 160) = ( 0.0000000 0.5151551 0.1378372), wk = 0.0039370 k( 161) = ( 0.0000000 0.5181861 0.1654046), wk = 0.0039370 k( 162) = ( 0.0000000 0.5212171 0.1929721), wk = 0.0039370 k( 163) = ( 0.0000000 0.5242481 0.2205395), wk = 0.0039370 k( 164) = ( 0.0000000 0.5272791 0.2481069), wk = 0.0039370 k( 165) = ( 0.0000000 0.5303102 0.2756744), wk = 0.0039370 k( 166) = ( 0.0000000 0.5333412 0.3032418), wk = 0.0039370 k( 167) = ( 0.0000000 0.5363722 0.3308093), wk = 0.0039370 k( 168) = ( 0.5000000 0.4636278 0.6691907), wk = 0.0039370 k( 169) = ( 0.5000000 0.4476406 0.6633566), wk = 0.0039370 k( 170) = ( 0.5000000 0.4316535 0.6575224), wk = 0.0039370 k( 171) = ( 0.5000000 0.4156663 0.6516882), wk = 0.0039370 k( 172) = ( 0.5000000 0.3996791 0.6458541), wk = 0.0039370 k( 173) = ( 0.5000000 0.3836920 0.6400199), wk = 0.0039370 k( 174) = ( 0.5000000 0.3677048 0.6341858), wk = 0.0039370 k( 175) = ( 0.5000000 0.3517177 0.6283516), wk = 0.0039370 k( 176) = ( 0.5000000 0.3357305 0.6225174), wk = 0.0039370 k( 177) = ( 0.5000000 0.3197433 0.6166833), wk = 0.0039370 k( 178) = ( 0.5000000 0.3037562 0.6108491), wk = 0.0039370 k( 179) = ( 0.5000000 0.2877690 0.6050149), wk = 0.0039370 k( 180) = ( 0.5000000 0.2717818 0.5991808), wk = 0.0039370 k( 181) = ( 0.5000000 0.2557947 0.5933466), wk = 0.0039370 k( 182) = ( 0.5000000 0.2398075 0.5875124), wk = 0.0039370 k( 183) = ( 0.5000000 0.2238203 0.5816783), wk = 0.0039370 k( 184) = ( 0.5000000 0.2078332 0.5758441), wk = 0.0039370 k( 185) = ( 0.5000000 0.1918460 0.5700100), wk = 0.0039370 k( 186) = ( 0.5000000 0.1758588 0.5641758), wk = 0.0039370 k( 187) = ( 0.5000000 0.1598717 0.5583416), wk = 0.0039370 k( 188) = ( 0.5000000 0.1438845 0.5525075), wk = 0.0039370 k( 189) = ( 0.5000000 0.1278973 0.5466733), wk = 0.0039370 k( 190) = ( 0.5000000 0.1119102 0.5408391), wk = 0.0039370 k( 191) = ( 0.5000000 0.0959230 0.5350050), wk = 0.0039370 k( 192) = ( 0.5000000 0.0799358 0.5291708), wk = 0.0039370 k( 193) = ( 0.5000000 0.0639487 0.5233366), wk = 0.0039370 k( 194) = ( 0.5000000 0.0479615 0.5175025), wk = 0.0039370 k( 195) = ( 0.5000000 0.0319743 0.5116683), wk = 0.0039370 k( 196) = ( 0.5000000 0.0159872 0.5058342), wk = 0.0039370 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 k( 199) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0039370 k( 200) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0039370 k( 201) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0039370 k( 202) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0039370 k( 203) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0039370 k( 204) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0039370 k( 205) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0039370 k( 206) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0039370 k( 207) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0039370 k( 208) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0039370 k( 209) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0039370 k( 210) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0039370 k( 211) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0039370 k( 212) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0039370 k( 213) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0039370 k( 214) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0039370 k( 215) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0039370 k( 216) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039370 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 218) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0039370 k( 219) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0039370 k( 220) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0039370 k( 221) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0039370 k( 222) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0039370 k( 223) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0039370 k( 224) = ( 0.0945946 0.0000000 0.5000000), wk = 0.0039370 k( 225) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0039370 k( 226) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0039370 k( 227) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0039370 k( 228) = ( 0.1486486 0.0000000 0.5000000), wk = 0.0039370 k( 229) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0039370 k( 230) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0039370 k( 231) = ( 0.1891892 0.0000000 0.5000000), wk = 0.0039370 k( 232) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0039370 k( 233) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0039370 k( 234) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0039370 k( 235) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0039370 k( 236) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0039370 k( 237) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0039370 k( 238) = ( 0.2837838 0.0000000 0.5000000), wk = 0.0039370 k( 239) = ( 0.2972973 0.0000000 0.5000000), wk = 0.0039370 k( 240) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0039370 k( 241) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0039370 k( 242) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0039370 k( 243) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0039370 k( 244) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0039370 k( 245) = ( 0.3783784 0.0000000 0.5000000), wk = 0.0039370 k( 246) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0039370 k( 247) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0039370 k( 248) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0039370 k( 249) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0039370 k( 250) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0039370 k( 251) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0039370 k( 252) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0039370 k( 253) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0039370 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 Dense grid: 89413 G-vectors FFT dimensions: ( 45, 50, 90) Smooth grid: 44471 G-vectors FFT dimensions: ( 36, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 164, 48) NL pseudopotentials 0.26 Mb ( 82, 206) Each V/rho on FFT grid 0.07 Mb ( 4500) Each G-vector array 0.01 Mb ( 1246) G-vector shells 0.01 Mb ( 1203) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 164, 192) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.30 Mb ( 206, 2, 48) The potential is recalculated from file : ./BaSb2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 7.7 secs Computing kpt #: 3 total cpu time spent up to now is 10.1 secs Computing kpt #: 4 total cpu time spent up to now is 12.2 secs Computing kpt #: 5 total cpu time spent up to now is 14.4 secs Computing kpt #: 6 total cpu time spent up to now is 16.4 secs Computing kpt #: 7 total cpu time spent up to now is 18.9 secs Computing kpt #: 8 total cpu time spent up to now is 20.8 secs Computing kpt #: 9 total cpu time spent up to now is 22.7 secs Computing kpt #: 10 total cpu time spent up to now is 24.4 secs Computing kpt #: 11 total cpu time spent up to now is 26.4 secs Computing kpt #: 12 total cpu time spent up to now is 28.4 secs Computing kpt #: 13 total cpu time spent up to now is 30.1 secs Computing kpt #: 14 total cpu time spent up to now is 31.9 secs Computing kpt #: 15 total cpu time spent up to now is 33.4 secs Computing kpt #: 16 total cpu time spent up to now is 34.9 secs Computing kpt #: 17 total cpu time spent up to now is 36.5 secs Computing kpt #: 18 total cpu time spent up to now is 38.3 secs Computing kpt #: 19 total cpu time spent up to now is 40.2 secs Computing kpt #: 20 total cpu time spent up to now is 42.2 secs Computing kpt #: 21 total cpu time spent up to now is 43.7 secs Computing kpt #: 22 total cpu time spent up to now is 45.1 secs Computing kpt #: 23 total cpu time spent up to now is 46.5 secs Computing kpt #: 24 total cpu time spent up to now is 48.3 secs Computing kpt #: 25 total cpu time spent up to now is 50.0 secs Computing kpt #: 26 total cpu time spent up to now is 52.6 secs Computing kpt #: 27 total cpu time spent up to now is 54.3 secs Computing kpt #: 28 total cpu time spent up to now is 56.1 secs Computing kpt #: 29 total cpu time spent up to now is 57.8 secs Computing kpt #: 30 total cpu time spent up to now is 59.8 secs Computing kpt #: 31 total cpu time spent up to now is 61.9 secs Computing kpt #: 32 total cpu time spent up to now is 64.2 secs Computing kpt #: 33 total cpu time spent up to now is 66.7 secs Computing kpt #: 34 total cpu time spent up to now is 68.9 secs Computing kpt #: 35 total cpu time spent up to now is 71.6 secs Computing kpt #: 36 total cpu time spent up to now is 73.9 secs Computing kpt #: 37 total cpu time spent up to now is 75.9 secs Computing kpt #: 38 total cpu time spent up to now is 78.3 secs Computing kpt #: 39 total cpu time spent up to now is 81.3 secs Computing kpt #: 40 total cpu time spent up to now is 83.4 secs Computing kpt #: 41 total cpu time spent up to now is 85.1 secs Computing kpt #: 42 total cpu time spent up to now is 86.6 secs Computing kpt #: 43 total cpu time spent up to now is 88.2 secs Computing kpt #: 44 total cpu time spent up to now is 89.8 secs Computing kpt #: 45 total cpu time spent up to now is 91.5 secs Computing kpt #: 46 total cpu time spent up to now is 92.9 secs Computing kpt #: 47 total cpu time spent up to now is 94.6 secs Computing kpt #: 48 total cpu time spent up to now is 96.3 secs Computing kpt #: 49 total cpu time spent up to now is 98.0 secs Computing kpt #: 50 total cpu time spent up to now is 99.6 secs Computing kpt #: 51 total cpu time spent up to now is 101.2 secs Computing kpt #: 52 total cpu time spent up to now is 102.6 secs Computing kpt #: 53 total cpu time spent up to now is 103.9 secs Computing kpt #: 54 total cpu time spent up to now is 105.3 secs Computing kpt #: 55 total cpu time spent up to now is 106.8 secs Computing kpt #: 56 total cpu time spent up to now is 108.5 secs Computing kpt #: 57 total cpu time spent up to now is 110.0 secs Computing kpt #: 58 total cpu time spent up to now is 111.1 secs Computing kpt #: 59 total cpu time spent up to now is 112.9 secs Computing kpt #: 60 total cpu time spent up to now is 114.4 secs Computing kpt #: 61 total cpu time spent up to now is 115.8 secs Computing kpt #: 62 total cpu time spent up to now is 117.1 secs Computing kpt #: 63 total cpu time spent up to now is 118.6 secs Computing kpt #: 64 total cpu time spent up to now is 120.1 secs Computing kpt #: 65 total cpu time spent up to now is 121.7 secs Computing kpt #: 66 total cpu time spent up to now is 123.4 secs Computing kpt #: 67 total cpu time spent up to now is 124.9 secs Computing kpt #: 68 total cpu time spent up to now is 126.5 secs Computing kpt #: 69 total cpu time spent up to now is 128.3 secs Computing kpt #: 70 total cpu time spent up to now is 129.7 secs Computing kpt #: 71 total cpu time spent up to now is 131.4 secs Computing kpt #: 72 total cpu time spent up to now is 132.9 secs Computing kpt #: 73 total cpu time spent up to now is 133.8 secs Computing kpt #: 74 total cpu time spent up to now is 135.4 secs Computing kpt #: 75 total cpu time spent up to now is 137.0 secs Computing kpt #: 76 total cpu time spent up to now is 138.9 secs Computing kpt #: 77 total cpu time spent up to now is 140.4 secs Computing kpt #: 78 total cpu time spent up to now is 142.1 secs Computing kpt #: 79 total cpu time spent up to now is 144.0 secs Computing kpt #: 80 total cpu time spent up to now is 146.1 secs Computing kpt #: 81 total cpu time spent up to now is 148.3 secs Computing kpt #: 82 total cpu time spent up to now is 150.3 secs Computing kpt #: 83 total cpu time spent up to now is 152.0 secs Computing kpt #: 84 total cpu time spent up to now is 154.5 secs Computing kpt #: 85 total cpu time spent up to now is 156.5 secs Computing kpt #: 86 total cpu time spent up to now is 158.1 secs Computing kpt #: 87 total cpu time spent up to now is 159.7 secs Computing kpt #: 88 total cpu time spent up to now is 161.8 secs Computing kpt #: 89 total cpu time spent up to now is 163.4 secs Computing kpt #: 90 total cpu time spent up to now is 165.2 secs Computing kpt #: 91 total cpu time spent up to now is 166.9 secs Computing kpt #: 92 total cpu time spent up to now is 168.7 secs Computing kpt #: 93 total cpu time spent up to now is 169.9 secs Computing kpt #: 94 total cpu time spent up to now is 171.5 secs Computing kpt #: 95 total cpu time spent up to now is 173.2 secs Computing kpt #: 96 total cpu time spent up to now is 175.0 secs Computing kpt #: 97 total cpu time spent up to now is 177.0 secs Computing kpt #: 98 total cpu time spent up to now is 179.2 secs Computing kpt #: 99 total cpu time spent up to now is 181.4 secs Computing kpt #: 100 total cpu time spent up to now is 183.8 secs Computing kpt #: 101 total cpu time spent up to now is 185.7 secs Computing kpt #: 102 total cpu time spent up to now is 187.7 secs Computing kpt #: 103 total cpu time spent up to now is 189.7 secs Computing kpt #: 104 total cpu time spent up to now is 191.8 secs Computing kpt #: 105 total cpu time spent up to now is 194.0 secs Computing kpt #: 106 total cpu time spent up to now is 195.7 secs Computing kpt #: 107 total cpu time spent up to now is 197.4 secs Computing kpt #: 108 total cpu time spent up to now is 199.3 secs Computing kpt #: 109 total cpu time spent up to now is 201.1 secs Computing kpt #: 110 total cpu time spent up to now is 202.7 secs Computing kpt #: 111 total cpu time spent up to now is 204.2 secs Computing kpt #: 112 total cpu time spent up to now is 205.8 secs Computing kpt #: 113 total cpu time spent up to now is 206.7 secs Computing kpt #: 114 total cpu time spent up to now is 207.9 secs Computing kpt #: 115 total cpu time spent up to now is 209.4 secs Computing kpt #: 116 total cpu time spent up to now is 210.6 secs Computing kpt #: 117 total cpu time spent up to now is 212.1 secs Computing kpt #: 118 total cpu time spent up to now is 213.5 secs Computing kpt #: 119 total cpu time spent up to now is 215.2 secs Computing kpt #: 120 total cpu time spent up to now is 217.0 secs Computing kpt #: 121 total cpu time spent up to now is 219.2 secs Computing kpt #: 122 total cpu time spent up to now is 221.1 secs Computing kpt #: 123 total cpu time spent up to now is 222.9 secs Computing kpt #: 124 total cpu time spent up to now is 224.6 secs Computing kpt #: 125 total cpu time spent up to now is 226.3 secs Computing kpt #: 126 total cpu time spent up to now is 228.0 secs Computing kpt #: 127 total cpu time spent up to now is 229.9 secs Computing kpt #: 128 total cpu time spent up to now is 231.7 secs Computing kpt #: 129 total cpu time spent up to now is 233.6 secs Computing kpt #: 130 total cpu time spent up to now is 235.6 secs Computing kpt #: 131 total cpu time spent up to now is 237.5 secs Computing kpt #: 132 total cpu time spent up to now is 239.5 secs Computing kpt #: 133 total cpu time spent up to now is 241.3 secs Computing kpt #: 134 total cpu time spent up to now is 243.0 secs Computing kpt #: 135 total cpu time spent up to now is 244.7 secs Computing kpt #: 136 total cpu time spent up to now is 246.4 secs Computing kpt #: 137 total cpu time spent up to now is 248.0 secs Computing kpt #: 138 total cpu time spent up to now is 249.6 secs Computing kpt #: 139 total cpu time spent up to now is 251.2 secs Computing kpt #: 140 total cpu time spent up to now is 252.7 secs Computing kpt #: 141 total cpu time spent up to now is 254.3 secs Computing kpt #: 142 total cpu time spent up to now is 255.6 secs Computing kpt #: 143 total cpu time spent up to now is 257.6 secs Computing kpt #: 144 total cpu time spent up to now is 259.2 secs Computing kpt #: 145 total cpu time spent up to now is 260.9 secs Computing kpt #: 146 total cpu time spent up to now is 262.6 secs Computing kpt #: 147 total cpu time spent up to now is 263.9 secs Computing kpt #: 148 total cpu time spent up to now is 265.2 secs Computing kpt #: 149 total cpu time spent up to now is 266.8 secs Computing kpt #: 150 total cpu time spent up to now is 268.3 secs Computing kpt #: 151 total cpu time spent up to now is 269.7 secs Computing kpt #: 152 total cpu time spent up to now is 271.3 secs Computing kpt #: 153 total cpu time spent up to now is 272.7 secs Computing kpt #: 154 total cpu time spent up to now is 274.1 secs Computing kpt #: 155 total cpu time spent up to now is 275.6 secs Computing kpt #: 156 total cpu time spent up to now is 277.1 secs Computing kpt #: 157 total cpu time spent up to now is 278.3 secs Computing kpt #: 158 total cpu time spent up to now is 279.5 secs Computing kpt #: 159 total cpu time spent up to now is 280.9 secs Computing kpt #: 160 total cpu time spent up to now is 282.3 secs Computing kpt #: 161 total cpu time spent up to now is 283.5 secs Computing kpt #: 162 total cpu time spent up to now is 285.0 secs Computing kpt #: 163 total cpu time spent up to now is 286.4 secs Computing kpt #: 164 total cpu time spent up to now is 287.7 secs Computing kpt #: 165 total cpu time spent up to now is 289.2 secs Computing kpt #: 166 total cpu time spent up to now is 290.6 secs Computing kpt #: 167 total cpu time spent up to now is 291.9 secs Computing kpt #: 168 total cpu time spent up to now is 293.8 secs Computing kpt #: 169 total cpu time spent up to now is 295.9 secs Computing kpt #: 170 total cpu time spent up to now is 298.0 secs Computing kpt #: 171 total cpu time spent up to now is 300.1 secs Computing kpt #: 172 total cpu time spent up to now is 302.4 secs Computing kpt #: 173 total cpu time spent up to now is 304.9 secs Computing kpt #: 174 total cpu time spent up to now is 306.8 secs Computing kpt #: 175 total cpu time spent up to now is 308.6 secs Computing kpt #: 176 total cpu time spent up to now is 310.5 secs Computing kpt #: 177 total cpu time spent up to now is 312.3 secs Computing kpt #: 178 total cpu time spent up to now is 314.1 secs Computing kpt #: 179 total cpu time spent up to now is 315.8 secs Computing kpt #: 180 total cpu time spent up to now is 317.5 secs Computing kpt #: 181 total cpu time spent up to now is 319.3 secs Computing kpt #: 182 total cpu time spent up to now is 321.1 secs Computing kpt #: 183 total cpu time spent up to now is 323.0 secs Computing kpt #: 184 total cpu time spent up to now is 324.7 secs Computing kpt #: 185 total cpu time spent up to now is 326.6 secs Computing kpt #: 186 total cpu time spent up to now is 328.7 secs Computing kpt #: 187 total cpu time spent up to now is 330.7 secs Computing kpt #: 188 total cpu time spent up to now is 332.2 secs Computing kpt #: 189 total cpu time spent up to now is 333.8 secs Computing kpt #: 190 total cpu time spent up to now is 335.2 secs Computing kpt #: 191 total cpu time spent up to now is 337.0 secs Computing kpt #: 192 total cpu time spent up to now is 338.9 secs Computing kpt #: 193 total cpu time spent up to now is 340.4 secs Computing kpt #: 194 total cpu time spent up to now is 342.0 secs Computing kpt #: 195 total cpu time spent up to now is 343.5 secs Computing kpt #: 196 total cpu time spent up to now is 345.0 secs Computing kpt #: 197 total cpu time spent up to now is 346.5 secs Computing kpt #: 198 total cpu time spent up to now is 348.1 secs Computing kpt #: 199 total cpu time spent up to now is 349.5 secs Computing kpt #: 200 total cpu time spent up to now is 351.2 secs Computing kpt #: 201 total cpu time spent up to now is 352.7 secs Computing kpt #: 202 total cpu time spent up to now is 354.4 secs Computing kpt #: 203 total cpu time spent up to now is 355.8 secs Computing kpt #: 204 total cpu time spent up to now is 357.2 secs Computing kpt #: 205 total cpu time spent up to now is 358.8 secs Computing kpt #: 206 total cpu time spent up to now is 360.3 secs Computing kpt #: 207 total cpu time spent up to now is 361.7 secs Computing kpt #: 208 total cpu time spent up to now is 363.3 secs Computing kpt #: 209 total cpu time spent up to now is 364.9 secs Computing kpt #: 210 total cpu time spent up to now is 366.4 secs Computing kpt #: 211 total cpu time spent up to now is 368.2 secs Computing kpt #: 212 total cpu time spent up to now is 369.6 secs Computing kpt #: 213 total cpu time spent up to now is 370.9 secs Computing kpt #: 214 total cpu time spent up to now is 372.3 secs Computing kpt #: 215 total cpu time spent up to now is 373.8 secs Computing kpt #: 216 total cpu time spent up to now is 375.3 secs Computing kpt #: 217 total cpu time spent up to now is 376.9 secs Computing kpt #: 218 total cpu time spent up to now is 378.4 secs Computing kpt #: 219 total cpu time spent up to now is 380.4 secs Computing kpt #: 220 total cpu time spent up to now is 382.2 secs Computing kpt #: 221 total cpu time spent up to now is 384.2 secs Computing kpt #: 222 total cpu time spent up to now is 386.3 secs Computing kpt #: 223 total cpu time spent up to now is 388.9 secs Computing kpt #: 224 total cpu time spent up to now is 391.2 secs Computing kpt #: 225 total cpu time spent up to now is 394.0 secs Computing kpt #: 226 total cpu time spent up to now is 396.6 secs Computing kpt #: 227 total cpu time spent up to now is 399.5 secs Computing kpt #: 228 total cpu time spent up to now is 402.1 secs Computing kpt #: 229 total cpu time spent up to now is 404.1 secs Computing kpt #: 230 total cpu time spent up to now is 406.3 secs Computing kpt #: 231 total cpu time spent up to now is 408.6 secs Computing kpt #: 232 total cpu time spent up to now is 410.7 secs Computing kpt #: 233 total cpu time spent up to now is 412.8 secs Computing kpt #: 234 total cpu time spent up to now is 415.0 secs Computing kpt #: 235 total cpu time spent up to now is 417.4 secs Computing kpt #: 236 total cpu time spent up to now is 419.4 secs Computing kpt #: 237 total cpu time spent up to now is 420.9 secs Computing kpt #: 238 total cpu time spent up to now is 422.6 secs Computing kpt #: 239 total cpu time spent up to now is 424.2 secs Computing kpt #: 240 total cpu time spent up to now is 425.7 secs Computing kpt #: 241 total cpu time spent up to now is 427.3 secs Computing kpt #: 242 total cpu time spent up to now is 428.7 secs Computing kpt #: 243 total cpu time spent up to now is 430.5 secs Computing kpt #: 244 total cpu time spent up to now is 432.4 secs Computing kpt #: 245 total cpu time spent up to now is 434.4 secs Computing kpt #: 246 total cpu time spent up to now is 436.0 secs Computing kpt #: 247 total cpu time spent up to now is 437.7 secs Computing kpt #: 248 total cpu time spent up to now is 439.5 secs Computing kpt #: 249 total cpu time spent up to now is 441.3 secs Computing kpt #: 250 total cpu time spent up to now is 443.0 secs Computing kpt #: 251 total cpu time spent up to now is 445.1 secs Computing kpt #: 252 total cpu time spent up to now is 446.8 secs Computing kpt #: 253 total cpu time spent up to now is 448.3 secs Computing kpt #: 254 total cpu time spent up to now is 449.8 secs ethr = 2.50E-08, avg # of iterations = 22.9 total cpu time spent up to now is 449.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5559 PWs) bands (ev): -20.5051 -20.5051 -20.4914 -20.4914 -7.2347 -7.2347 -7.1424 -7.1424 -5.4778 -5.4778 -5.2101 -5.2101 -5.0994 -5.0994 -5.0389 -5.0389 -3.6943 -3.6943 -2.8512 -2.8512 -0.2869 -0.2869 0.8204 0.8204 4.6259 4.6259 4.8045 4.8045 4.9348 4.9348 4.9676 4.9676 5.1518 5.1518 5.3608 5.3608 6.8271 6.8271 7.5480 7.5480 7.9061 7.9061 8.1217 8.1217 9.0211 9.0211 9.0782 9.0782 k = 0.0000 0.0000 0.0131 ( 5562 PWs) bands (ev): -20.5051 -20.5051 -20.4914 -20.4914 -7.2346 -7.2346 -7.1426 -7.1426 -5.4774 -5.4774 -5.2106 -5.2106 -5.0994 -5.0994 -5.0392 -5.0392 -3.6927 -3.6927 -2.8529 -2.8529 -0.2853 -0.2853 0.8197 0.8197 4.6236 4.6236 4.7871 4.7871 4.9404 4.9404 4.9733 4.9733 5.1526 5.1526 5.3698 5.3698 6.8270 6.8270 7.5481 7.5481 7.9056 7.9056 8.1226 8.1226 9.0209 9.0209 9.0781 9.0781 k = 0.0000 0.0000 0.0262 ( 5567 PWs) bands (ev): -20.5051 -20.5051 -20.4914 -20.4914 -7.2341 -7.2341 -7.1430 -7.1430 -5.4762 -5.4762 -5.2122 -5.2122 -5.0992 -5.0992 -5.0403 -5.0403 -3.6879 -3.6879 -2.8581 -2.8581 -0.2807 -0.2807 0.8178 0.8178 4.6159 4.6159 4.7477 4.7477 4.9483 4.9483 4.9882 4.9882 5.1549 5.1549 5.3960 5.3960 6.8264 6.8264 7.5486 7.5486 7.9042 7.9042 8.1256 8.1256 9.0198 9.0198 9.0778 9.0778 k = 0.0000 0.0000 0.0393 ( 5569 PWs) bands (ev): -20.5051 -20.5051 -20.4914 -20.4914 -7.2333 -7.2333 -7.1437 -7.1437 -5.4742 -5.4742 -5.2149 -5.2149 -5.0990 -5.0990 -5.0419 -5.0419 -3.6800 -3.6800 -2.8666 -2.8666 -0.2732 -0.2732 0.8147 0.8147 4.5995 4.5995 4.7041 4.7041 4.9548 4.9548 5.0046 5.0046 5.1576 5.1576 5.4373 5.4373 6.8251 6.8251 7.5497 7.5497 7.9019 7.9019 8.1309 8.1309 9.0166 9.0166 9.0779 9.0779 k = 0.0000 0.0000 0.0524 ( 5575 PWs) bands (ev): -20.5050 -20.5050 -20.4915 -20.4915 -7.2323 -7.2323 -7.1447 -7.1447 -5.4714 -5.4714 -5.2187 -5.2187 -5.0986 -5.0986 -5.0440 -5.0440 -3.6691 -3.6691 -2.8784 -2.8784 -0.2629 -0.2629 0.8105 0.8105 4.5681 4.5681 4.6694 4.6694 4.9614 4.9614 5.0182 5.0182 5.1602 5.1602 5.4904 5.4904 6.8226 6.8226 7.5517 7.5517 7.8989 7.8989 8.1390 8.1390 9.0092 9.0092 9.0797 9.0797 k = 0.0000 0.0000 0.0655 ( 5583 PWs) bands (ev): -20.5050 -20.5050 -20.4915 -20.4915 -7.2309 -7.2309 -7.1460 -7.1460 -5.4677 -5.4677 -5.2235 -5.2235 -5.0982 -5.0982 -5.0466 -5.0466 -3.6553 -3.6553 -2.8932 -2.8932 -0.2501 -0.2501 0.8051 0.8051 4.5212 4.5212 4.6478 4.6478 4.9684 4.9684 5.0286 5.0286 5.1625 5.1625 5.5515 5.5515 6.8183 6.8183 7.5555 7.5555 7.8953 7.8953 8.1501 8.1501 8.9956 8.9956 9.0841 9.0841 k = 0.0000 0.0000 0.0786 ( 5576 PWs) bands (ev): -20.5049 -20.5049 -20.4916 -20.4916 -7.2293 -7.2293 -7.1475 -7.1475 -5.4633 -5.4633 -5.2293 -5.2293 -5.0977 -5.0977 -5.0495 -5.0495 -3.6388 -3.6388 -2.9110 -2.9110 -0.2351 -0.2351 0.7986 0.7986 4.4668 4.4668 4.6335 4.6335 4.9757 4.9757 5.0368 5.0368 5.1646 5.1646 5.6176 5.6176 6.8112 6.8112 7.5619 7.5619 7.8914 7.8914 8.1641 8.1641 8.9746 8.9746 9.0916 9.0916 k = 0.0000 0.0000 0.0917 ( 5566 PWs) bands (ev): -20.5049 -20.5049 -20.4916 -20.4916 -7.2275 -7.2275 -7.1493 -7.1493 -5.4582 -5.4582 -5.2362 -5.2362 -5.0970 -5.0970 -5.0526 -5.0526 -3.6198 -3.6198 -2.9314 -2.9314 -0.2184 -0.2184 0.7913 0.7913 4.4107 4.4107 4.6224 4.6224 4.9832 4.9832 5.0433 5.0433 5.1665 5.1665 5.6865 5.6865 6.8007 6.8007 7.5720 7.5720 7.8874 7.8874 8.1809 8.1809 8.9460 8.9460 9.1017 9.1017 k = 0.0000 0.0000 0.1048 ( 5571 PWs) bands (ev): -20.5048 -20.5048 -20.4917 -20.4917 -7.2254 -7.2254 -7.1512 -7.1512 -5.4523 -5.4523 -5.2440 -5.2440 -5.0964 -5.0964 -5.0558 -5.0558 -3.5984 -3.5984 -2.9543 -2.9543 -0.2003 -0.2003 0.7832 0.7832 4.3558 4.3558 4.6128 4.6128 4.9906 4.9906 5.0487 5.0487 5.1684 5.1684 5.7565 5.7565 6.7858 6.7858 7.5871 7.5871 7.8835 7.8835 8.1995 8.1995 8.9103 8.9103 9.1140 9.1140 k = 0.0000 0.0000 0.1179 ( 5562 PWs) bands (ev): -20.5047 -20.5047 -20.4917 -20.4917 -7.2231 -7.2231 -7.1534 -7.1534 -5.4457 -5.4457 -5.2527 -5.2527 -5.0956 -5.0956 -5.0589 -5.0589 -3.5749 -3.5749 -2.9792 -2.9792 -0.1814 -0.1814 0.7745 0.7745 4.3037 4.3037 4.6040 4.6040 4.9976 4.9976 5.0533 5.0533 5.1704 5.1704 5.8265 5.8265 6.7661 6.7661 7.6080 7.6080 7.8799 7.8799 8.2189 8.2189 8.8688 8.8688 9.1278 9.1278 k = 0.0000 0.0000 0.1310 ( 5559 PWs) bands (ev): -20.5047 -20.5047 -20.4918 -20.4918 -7.2207 -7.2207 -7.1557 -7.1557 -5.4384 -5.4384 -5.2622 -5.2622 -5.0948 -5.0948 -5.0620 -5.0620 -3.5496 -3.5496 -3.0060 -3.0060 -0.1622 -0.1622 0.7655 0.7655 4.2552 4.2552 4.5960 4.5960 5.0043 5.0043 5.0570 5.0570 5.1726 5.1726 5.8958 5.8958 6.7412 6.7412 7.6355 7.6355 7.8767 7.8767 8.2374 8.2374 8.8229 8.8229 9.1424 9.1424 k = 0.0000 0.0000 0.1441 ( 5557 PWs) bands (ev): -20.5046 -20.5046 -20.4919 -20.4919 -7.2182 -7.2182 -7.1581 -7.1581 -5.4304 -5.4304 -5.2723 -5.2723 -5.0939 -5.0939 -5.0650 -5.0650 -3.5228 -3.5228 -3.0343 -3.0343 -0.1432 -0.1432 0.7564 0.7564 4.2112 4.2112 4.5888 4.5888 5.0104 5.0104 5.0600 5.0600 5.1749 5.1749 5.9638 5.9638 6.7111 6.7111 7.6697 7.6697 7.8741 7.8741 8.2527 8.2527 8.7750 8.7750 9.1572 9.1572 k = 0.0000 0.0000 0.1572 ( 5560 PWs) bands (ev): -20.5046 -20.5046 -20.4919 -20.4919 -7.2157 -7.2157 -7.1605 -7.1605 -5.4219 -5.4219 -5.2829 -5.2829 -5.0930 -5.0930 -5.0677 -5.0677 -3.4947 -3.4947 -3.0637 -3.0637 -0.1250 -0.1250 0.7474 0.7474 4.1721 4.1721 4.5824 4.5824 5.0159 5.0159 5.0623 5.0623 5.1774 5.1774 6.0304 6.0304 6.6762 6.6762 7.7102 7.7102 7.8723 7.8723 8.2619 8.2619 8.7281 8.7281 9.1717 9.1717 k = 0.0000 0.0000 0.1703 ( 5559 PWs) bands (ev): -20.5045 -20.5045 -20.4920 -20.4920 -7.2131 -7.2131 -7.1630 -7.1630 -5.4129 -5.4129 -5.2939 -5.2939 -5.0920 -5.0920 -5.0702 -5.0702 -3.4659 -3.4659 -3.0938 -3.0938 -0.1083 -0.1083 0.7390 0.7390 4.1383 4.1383 4.5768 4.5768 5.0207 5.0207 5.0639 5.0639 5.1799 5.1799 6.0952 6.0952 6.6369 6.6369 7.7557 7.7557 7.8719 7.8719 8.2616 8.2616 8.6858 8.6858 9.1851 9.1851 k = 0.0000 0.0000 0.1834 ( 5555 PWs) bands (ev): -20.5045 -20.5045 -20.4920 -20.4920 -7.2108 -7.2108 -7.1653 -7.1653 -5.4035 -5.4035 -5.3050 -5.3050 -5.0911 -5.0911 -5.0725 -5.0725 -3.4369 -3.4369 -3.1238 -3.1238 -0.0936 -0.0936 0.7314 0.7314 4.1102 4.1102 4.5722 4.5722 5.0249 5.0249 5.0649 5.0649 5.1822 5.1822 6.1583 6.1583 6.5938 6.5938 7.8030 7.8030 7.8754 7.8754 8.2486 8.2486 8.6515 8.6515 9.1970 9.1970 k = 0.0000 0.0000 0.1965 ( 5552 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2086 -7.2086 -7.1673 -7.1673 -5.3939 -5.3939 -5.3160 -5.3160 -5.0902 -5.0902 -5.0744 -5.0744 -3.4087 -3.4087 -3.1529 -3.1529 -0.0815 -0.0815 0.7251 0.7251 4.0881 4.0881 4.5685 4.5685 5.0283 5.0283 5.0654 5.0654 5.1842 5.1842 6.2196 6.2196 6.5474 6.5474 7.8389 7.8389 7.8947 7.8947 8.2214 8.2214 8.6273 8.6273 9.2068 9.2068 k = 0.0000 0.0000 0.2096 ( 5547 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2069 -7.2069 -7.1690 -7.1690 -5.3846 -5.3846 -5.3263 -5.3263 -5.0893 -5.0893 -5.0759 -5.0759 -3.3830 -3.3830 -3.1792 -3.1792 -0.0725 -0.0725 0.7203 0.7203 4.0721 4.0721 4.5659 4.5659 5.0308 5.0308 5.0656 5.0656 5.1858 5.1858 6.2791 6.2791 6.4982 6.4982 7.8506 7.8506 7.9405 7.9405 8.1817 8.1817 8.6126 8.6126 9.2142 9.2142 k = 0.0000 0.0000 0.2227 ( 5551 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2058 -7.2058 -7.1701 -7.1701 -5.3768 -5.3768 -5.3348 -5.3348 -5.0888 -5.0888 -5.0769 -5.0769 -3.3634 -3.3634 -3.1992 -3.1992 -0.0669 -0.0669 0.7173 0.7173 4.0625 4.0625 4.5643 4.5643 5.0324 5.0324 5.0656 5.0656 5.1868 5.1868 6.3367 6.3367 6.4465 6.4465 7.8533 7.8533 7.9936 7.9936 8.1353 8.1353 8.6054 8.6054 9.2187 9.2187 k = 0.0000 0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2054 -7.2054 -7.1705 -7.1705 -5.3733 -5.3733 -5.3385 -5.3385 -5.0885 -5.0885 -5.0773 -5.0773 -3.3556 -3.3556 -3.2071 -3.2071 -0.0650 -0.0650 0.7163 0.7163 4.0593 4.0593 4.5637 4.5637 5.0329 5.0329 5.0656 5.0656 5.1871 5.1871 6.3915 6.3915 6.3936 6.3936 7.8538 7.8538 8.0264 8.0264 8.1049 8.1049 8.6032 8.6032 9.2202 9.2202 k = 0.0000 0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2054 -7.2054 -7.1705 -7.1705 -5.3733 -5.3733 -5.3385 -5.3385 -5.0885 -5.0885 -5.0773 -5.0773 -3.3556 -3.3556 -3.2071 -3.2071 -0.0650 -0.0650 0.7163 0.7163 4.0593 4.0593 4.5637 4.5637 5.0329 5.0329 5.0656 5.0656 5.1871 5.1871 6.3915 6.3915 6.3936 6.3936 7.8538 7.8538 8.0264 8.0264 8.1049 8.1049 8.6032 8.6032 9.2202 9.2202 k = 0.0000 0.0135 0.2358 ( 5550 PWs) bands (ev): -20.5043 -20.5043 -20.4921 -20.4921 -7.2054 -7.2054 -7.1706 -7.1706 -5.3737 -5.3737 -5.3386 -5.3386 -5.0887 -5.0887 -5.0775 -5.0775 -3.3546 -3.3546 -3.2064 -3.2064 -0.0642 -0.0642 0.7135 0.7135 4.0574 4.0574 4.5675 4.5675 5.0316 5.0316 5.0658 5.0658 5.1881 5.1881 6.3805 6.3805 6.4074 6.4074 7.8381 7.8381 8.0250 8.0250 8.1142 8.1142 8.6056 8.6056 9.2155 9.2155 k = 0.0000 0.0269 0.2358 ( 5545 PWs) bands (ev): -20.5043 -20.5043 -20.4921 -20.4921 -7.2056 -7.2056 -7.1710 -7.1710 -5.3750 -5.3750 -5.3388 -5.3388 -5.0892 -5.0892 -5.0781 -5.0781 -3.3516 -3.3516 -3.2040 -3.2040 -0.0618 -0.0618 0.7053 0.7053 4.0520 4.0520 4.5786 4.5786 5.0276 5.0276 5.0662 5.0662 5.1913 5.1913 6.3709 6.3709 6.4251 6.4251 7.7961 7.7961 8.0226 8.0226 8.1355 8.1355 8.6129 8.6129 9.2012 9.2012 k = 0.0000 0.0404 0.2358 ( 5553 PWs) bands (ev): -20.5043 -20.5043 -20.4921 -20.4921 -7.2060 -7.2060 -7.1716 -7.1716 -5.3771 -5.3771 -5.3391 -5.3391 -5.0899 -5.0899 -5.0792 -5.0792 -3.3468 -3.3468 -3.2002 -3.2002 -0.0578 -0.0578 0.6919 0.6919 4.0431 4.0431 4.5968 4.5968 5.0214 5.0214 5.0668 5.0668 5.1967 5.1967 6.3632 6.3632 6.4459 6.4459 7.7371 7.7371 8.0195 8.0195 8.1606 8.1606 8.6249 8.6249 9.1781 9.1781 k = 0.0000 0.0538 0.2358 ( 5555 PWs) bands (ev): -20.5042 -20.5042 -20.4920 -20.4920 -7.2065 -7.2065 -7.1724 -7.1724 -5.3800 -5.3800 -5.3397 -5.3397 -5.0910 -5.0910 -5.0805 -5.0805 -3.3401 -3.3401 -3.1949 -3.1949 -0.0522 -0.0522 0.6734 0.6734 4.0309 4.0309 4.6216 4.6216 5.0132 5.0132 5.0674 5.0674 5.2044 5.2044 6.3570 6.3570 6.4698 6.4698 7.6677 7.6677 8.0140 8.0140 8.1870 8.1870 8.6412 8.6412 9.1472 9.1472 k = 0.0000 0.0673 0.2358 ( 5565 PWs) bands (ev): -20.5042 -20.5042 -20.4919 -20.4919 -7.2071 -7.2071 -7.1734 -7.1734 -5.3837 -5.3837 -5.3405 -5.3405 -5.0923 -5.0923 -5.0820 -5.0820 -3.3318 -3.3318 -3.1880 -3.1880 -0.0453 -0.0453 0.6503 0.6503 4.0158 4.0158 4.6520 4.6520 5.0034 5.0034 5.0679 5.0679 5.2148 5.2148 6.3519 6.3519 6.4966 6.4966 7.5921 7.5921 8.0043 8.0043 8.2155 8.2155 8.6605 8.6605 9.1102 9.1102 k = 0.0000 0.0807 0.2358 ( 5567 PWs) bands (ev): -20.5041 -20.5041 -20.4918 -20.4918 -7.2078 -7.2078 -7.1746 -7.1746 -5.3880 -5.3880 -5.3417 -5.3417 -5.0938 -5.0938 -5.0836 -5.0836 -3.3220 -3.3220 -3.1797 -3.1797 -0.0370 -0.0370 0.6231 0.6231 3.9979 3.9979 4.6870 4.6870 4.9926 4.9926 5.0681 5.0681 5.2284 5.2284 6.3472 6.3472 6.5262 6.5262 7.5129 7.5129 7.9898 7.9898 8.2477 8.2477 8.6811 8.6811 9.0688 9.0688 k = 0.0000 0.0942 0.2358 ( 5571 PWs) bands (ev): -20.5040 -20.5040 -20.4917 -20.4917 -7.2087 -7.2087 -7.1761 -7.1761 -5.3930 -5.3930 -5.3431 -5.3431 -5.0956 -5.0956 -5.0853 -5.0853 -3.3110 -3.3110 -3.1700 -3.1700 -0.0274 -0.0274 0.5923 0.5923 3.9778 3.9778 4.7253 4.7253 4.9813 4.9813 5.0679 5.0679 5.2457 5.2457 6.3426 6.3426 6.5583 6.5583 7.4321 7.4321 7.9709 7.9709 8.2846 8.2846 8.7011 8.7011 9.0251 9.0251 k = 0.0000 0.1076 0.2358 ( 5568 PWs) bands (ev): -20.5038 -20.5038 -20.4916 -20.4916 -7.2097 -7.2097 -7.1777 -7.1777 -5.3986 -5.3986 -5.3449 -5.3449 -5.0975 -5.0975 -5.0868 -5.0868 -3.2988 -3.2988 -3.1589 -3.1589 -0.0169 -0.0169 0.5584 0.5584 3.9558 3.9558 4.7649 4.7649 4.9700 4.9700 5.0675 5.0675 5.2672 5.2672 6.3373 6.3373 6.5925 6.5925 7.3514 7.3514 7.9487 7.9487 8.3267 8.3267 8.7183 8.7183 8.9809 8.9809 k = 0.0000 0.1211 0.2358 ( 5575 PWs) bands (ev): -20.5037 -20.5037 -20.4915 -20.4915 -7.2108 -7.2108 -7.1795 -7.1795 -5.4047 -5.4047 -5.3471 -5.3471 -5.0995 -5.0995 -5.0882 -5.0882 -3.2858 -3.2858 -3.1465 -3.1465 -0.0055 -0.0055 0.5221 0.5221 3.9324 3.9324 4.8029 4.8029 4.9600 4.9600 5.0674 5.0674 5.2938 5.2938 6.3310 6.3310 6.6282 6.6282 7.2723 7.2723 7.9244 7.9244 8.3733 8.3733 8.7306 8.7306 8.9386 8.9386 k = 0.0000 0.1345 0.2358 ( 5571 PWs) bands (ev): -20.5036 -20.5036 -20.4913 -20.4913 -7.2120 -7.2120 -7.1815 -7.1815 -5.4112 -5.4112 -5.3496 -5.3496 -5.1016 -5.1016 -5.0893 -5.0893 -3.2722 -3.2722 -3.1329 -3.1329 0.0064 0.0064 0.4841 0.4841 3.9082 3.9082 4.8352 4.8352 4.9532 4.9532 5.0683 5.0683 5.3261 5.3261 6.3230 6.3230 6.6646 6.6646 7.1967 7.1967 7.8992 7.8992 8.4236 8.4236 8.7353 8.7353 8.9015 8.9015 k = 0.0000 0.1480 0.2358 ( 5571 PWs) bands (ev): -20.5034 -20.5034 -20.4912 -20.4912 -7.2133 -7.2133 -7.1836 -7.1836 -5.4182 -5.4182 -5.3526 -5.3526 -5.1037 -5.1037 -5.0901 -5.0901 -3.2580 -3.2580 -3.1182 -3.1182 0.0185 0.0185 0.4452 0.4452 3.8835 3.8835 4.8558 4.8558 4.9528 4.9528 5.0719 5.0719 5.3647 5.3647 6.3128 6.3128 6.7005 6.7005 7.1266 7.1266 7.8742 7.8742 8.4753 8.4753 8.7306 8.7306 8.8728 8.8728 k = 0.0000 0.1615 0.2358 ( 5567 PWs) bands (ev): -20.5033 -20.5033 -20.4910 -20.4910 -7.2146 -7.2146 -7.1858 -7.1858 -5.4255 -5.4255 -5.3558 -5.3558 -5.1058 -5.1058 -5.0906 -5.0906 -3.2437 -3.2437 -3.1026 -3.1026 0.0302 0.0302 0.4062 0.4062 3.8590 3.8590 4.8611 4.8611 4.9589 4.9589 5.0802 5.0802 5.4100 5.4100 6.2999 6.2999 6.7335 6.7335 7.0651 7.0651 7.8502 7.8502 8.5237 8.5237 8.7188 8.7188 8.8542 8.8542 k = 0.0000 0.1749 0.2358 ( 5567 PWs) bands (ev): -20.5031 -20.5031 -20.4909 -20.4909 -7.2160 -7.2160 -7.1882 -7.1882 -5.4330 -5.4330 -5.3594 -5.3594 -5.1077 -5.1077 -5.0907 -5.0907 -3.2291 -3.2291 -3.0862 -3.0862 0.0408 0.0408 0.3682 0.3682 3.8349 3.8349 4.8553 4.8553 4.9653 4.9653 5.0948 5.0948 5.4618 5.4618 6.2838 6.2838 6.7590 6.7590 7.0177 7.0177 7.8277 7.8277 8.5575 8.5575 8.7117 8.7117 8.8444 8.8444 k = 0.0000 0.1884 0.2358 ( 5560 PWs) bands (ev): -20.5029 -20.5029 -20.4907 -20.4907 -7.2175 -7.2175 -7.1906 -7.1906 -5.4407 -5.4407 -5.3633 -5.3633 -5.1095 -5.1095 -5.0905 -5.0905 -3.2146 -3.2146 -3.0692 -3.0692 0.0491 0.0491 0.3328 0.3328 3.8119 3.8119 4.8437 4.8437 4.9671 4.9671 5.1149 5.1149 5.5194 5.5194 6.2641 6.2641 6.7691 6.7691 6.9926 6.9926 7.8072 7.8072 8.5616 8.5616 8.7215 8.7215 8.8453 8.8453 k = 0.0000 0.2018 0.2358 ( 5560 PWs) bands (ev): -20.5028 -20.5028 -20.4905 -20.4905 -7.2191 -7.2191 -7.1931 -7.1931 -5.4484 -5.4484 -5.3675 -5.3675 -5.1112 -5.1112 -5.0900 -5.0900 -3.2002 -3.2002 -3.0519 -3.0519 0.0533 0.0533 0.3017 0.3017 3.7903 3.7903 4.8293 4.8293 4.9638 4.9638 5.1382 5.1382 5.5819 5.5819 6.2409 6.2409 6.7590 6.7590 6.9951 6.9951 7.7889 7.7889 8.5408 8.5408 8.7317 8.7317 8.8675 8.8675 k = 0.0000 0.2153 0.2358 ( 5556 PWs) bands (ev): -20.5026 -20.5026 -20.4904 -20.4904 -7.2206 -7.2206 -7.1956 -7.1956 -5.4560 -5.4560 -5.3718 -5.3718 -5.1128 -5.1128 -5.0891 -5.0891 -3.1860 -3.1860 -3.0344 -3.0344 0.0515 0.0515 0.2774 0.2774 3.7705 3.7705 4.8132 4.8132 4.9569 4.9569 5.1626 5.1626 5.6475 5.6475 6.2146 6.2146 6.7352 6.7352 7.0187 7.0187 7.7731 7.7731 8.5096 8.5096 8.7230 8.7230 8.9148 8.9148 k = 0.0000 0.2287 0.2358 ( 5557 PWs) bands (ev): -20.5024 -20.5024 -20.4902 -20.4902 -7.2222 -7.2222 -7.1982 -7.1982 -5.4635 -5.4635 -5.3763 -5.3763 -5.1142 -5.1142 -5.0880 -5.0880 -3.1721 -3.1721 -3.0170 -3.0170 0.0418 0.0418 0.2619 0.2619 3.7529 3.7529 4.7959 4.7959 4.9475 4.9475 5.1867 5.1867 5.7144 5.7144 6.1864 6.1864 6.7073 6.7073 7.0533 7.0533 7.7596 7.7596 8.4749 8.4749 8.6993 8.6993 8.9747 8.9747 k = 0.0000 0.2422 0.2358 ( 5553 PWs) bands (ev): -20.5023 -20.5023 -20.4900 -20.4900 -7.2237 -7.2237 -7.2007 -7.2007 -5.4708 -5.4708 -5.3809 -5.3809 -5.1154 -5.1154 -5.0866 -5.0866 -3.1585 -3.1585 -2.9999 -2.9999 0.0241 0.0241 0.2553 0.2553 3.7378 3.7378 4.7777 4.7777 4.9363 4.9363 5.2102 5.2102 5.7798 5.7798 6.1587 6.1587 6.6804 6.6804 7.0929 7.0929 7.7485 7.7485 8.4392 8.4392 8.6661 8.6661 9.0368 9.0368 k = 0.0000 0.2556 0.2358 ( 5545 PWs) bands (ev): -20.5021 -20.5021 -20.4899 -20.4899 -7.2252 -7.2252 -7.2032 -7.2032 -5.4777 -5.4777 -5.3856 -5.3856 -5.1166 -5.1166 -5.0850 -5.0850 -3.1452 -3.1452 -2.9833 -2.9833 0.0002 0.0002 0.2561 0.2561 3.7253 3.7253 4.7586 4.7586 4.9239 4.9239 5.2326 5.2326 5.8393 5.8393 6.1358 6.1358 6.6567 6.6567 7.1342 7.1342 7.7396 7.7396 8.4035 8.4035 8.6266 8.6266 9.0926 9.0926 k = 0.0000 0.2691 0.2358 ( 5544 PWs) bands (ev): -20.5020 -20.5020 -20.4897 -20.4897 -7.2267 -7.2267 -7.2057 -7.2057 -5.4843 -5.4843 -5.3903 -5.3903 -5.1176 -5.1176 -5.0831 -5.0831 -3.1323 -3.1323 -2.9676 -2.9676 -0.0274 -0.0274 0.2619 0.2619 3.7159 3.7159 4.7388 4.7388 4.9107 4.9107 5.2539 5.2539 5.8846 5.8846 6.1259 6.1259 6.6367 6.6367 7.1754 7.1754 7.7325 7.7325 8.3677 8.3677 8.5828 8.5828 9.0695 9.0695 k = 0.0000 0.2825 0.2358 ( 5535 PWs) bands (ev): -20.5018 -20.5018 -20.4895 -20.4895 -7.2281 -7.2281 -7.2080 -7.2080 -5.4904 -5.4904 -5.3950 -5.3950 -5.1185 -5.1185 -5.0812 -5.0812 -3.1199 -3.1199 -2.9529 -2.9529 -0.0564 -0.0564 0.2705 0.2705 3.7096 3.7096 4.7181 4.7181 4.8972 4.8972 5.2740 5.2740 5.9054 5.9054 6.1392 6.1392 6.6205 6.6205 7.2153 7.2153 7.7269 7.7269 8.3312 8.3312 8.5366 8.5366 9.0052 9.0052 k = 0.0000 0.2960 0.2358 ( 5533 PWs) bands (ev): -20.5017 -20.5017 -20.4894 -20.4894 -7.2294 -7.2294 -7.2103 -7.2103 -5.4959 -5.4959 -5.3996 -5.3996 -5.1194 -5.1194 -5.0791 -5.0791 -3.1079 -3.1079 -2.9394 -2.9394 -0.0854 -0.0854 0.2805 0.2805 3.7066 3.7066 4.6968 4.6968 4.8837 4.8837 5.2926 5.2926 5.9013 5.9013 6.1760 6.1760 6.6083 6.6083 7.2528 7.2528 7.7224 7.7224 8.2931 8.2931 8.4902 8.4902 8.9447 8.9447 k = 0.0000 0.3095 0.2358 ( 5527 PWs) bands (ev): -20.5015 -20.5015 -20.4893 -20.4893 -7.2306 -7.2306 -7.2124 -7.2124 -5.5009 -5.5009 -5.4041 -5.4041 -5.1203 -5.1203 -5.0769 -5.0769 -3.0963 -3.0963 -2.9275 -2.9275 -0.1133 -0.1133 0.2908 0.2908 3.7071 3.7071 4.6747 4.6747 4.8705 4.8705 5.3098 5.3098 5.8830 5.8830 6.2245 6.2245 6.6007 6.6007 7.2872 7.2872 7.7181 7.7181 8.2525 8.2525 8.4456 8.4456 8.8897 8.8897 k = 0.0000 0.3229 0.2358 ( 5523 PWs) bands (ev): -20.5014 -20.5014 -20.4891 -20.4891 -7.2317 -7.2317 -7.2144 -7.2144 -5.5051 -5.5051 -5.4084 -5.4084 -5.1211 -5.1211 -5.0747 -5.0747 -3.0852 -3.0852 -2.9172 -2.9172 -0.1393 -0.1393 0.3009 0.3009 3.7110 3.7110 4.6521 4.6521 4.8579 4.8579 5.3254 5.3254 5.8593 5.8593 6.2741 6.2741 6.5993 6.5993 7.3176 7.3176 7.7132 7.7132 8.2089 8.2089 8.4042 8.4042 8.8415 8.8415 k = 0.0000 0.3364 0.2358 ( 5519 PWs) bands (ev): -20.5013 -20.5013 -20.4890 -20.4890 -7.2327 -7.2327 -7.2161 -7.2161 -5.5087 -5.5087 -5.4125 -5.4125 -5.1219 -5.1219 -5.0725 -5.0725 -3.0745 -3.0745 -2.9087 -2.9087 -0.1628 -0.1628 0.3101 0.3101 3.7184 3.7184 4.6290 4.6290 4.8462 4.8462 5.3392 5.3392 5.8348 5.8348 6.3175 6.3175 6.6062 6.6062 7.3435 7.3435 7.7067 7.7067 8.1629 8.1629 8.3668 8.3668 8.8010 8.8010 k = 0.0000 0.3498 0.2358 ( 5523 PWs) bands (ev): -20.5012 -20.5012 -20.4889 -20.4889 -7.2335 -7.2335 -7.2177 -7.2177 -5.5116 -5.5116 -5.4164 -5.4164 -5.1227 -5.1227 -5.0703 -5.0703 -3.0644 -3.0644 -2.9023 -2.9023 -0.1835 -0.1835 0.3182 0.3182 3.7292 3.7292 4.6056 4.6056 4.8356 4.8356 5.3511 5.3511 5.8115 5.8115 6.3496 6.3496 6.6239 6.6239 7.3646 7.3646 7.6970 7.6970 8.1163 8.1163 8.3332 8.3332 8.7693 8.7693 k = 0.0000 0.3633 0.2358 ( 5523 PWs) bands (ev): -20.5012 -20.5012 -20.4888 -20.4888 -7.2342 -7.2342 -7.2191 -7.2191 -5.5137 -5.5137 -5.4201 -5.4201 -5.1235 -5.1235 -5.0682 -5.0682 -3.0546 -3.0546 -2.8982 -2.8982 -0.2009 -0.2009 0.3248 0.3248 3.7436 3.7436 4.5823 4.5823 4.8263 4.8263 5.3609 5.3609 5.7905 5.7905 6.3683 6.3683 6.6528 6.6528 7.3806 7.3806 7.6826 7.6826 8.0718 8.0718 8.3027 8.3027 8.7466 8.7466 k = 0.0000 0.3767 0.2358 ( 5520 PWs) bands (ev): -20.5011 -20.5011 -20.4888 -20.4888 -7.2348 -7.2348 -7.2201 -7.2201 -5.5149 -5.5149 -5.4236 -5.4236 -5.1244 -5.1244 -5.0661 -5.0661 -3.0453 -3.0453 -2.8964 -2.8964 -0.2149 -0.2149 0.3297 0.3297 3.7612 3.7612 4.5592 4.5592 4.8182 4.8182 5.3686 5.3686 5.7723 5.7723 6.3751 6.3751 6.6900 6.6900 7.3912 7.3912 7.6627 7.6627 8.0324 8.0324 8.2750 8.2750 8.7333 8.7333 k = 0.0000 0.3902 0.2358 ( 5521 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2353 -7.2353 -7.2209 -7.2209 -5.5154 -5.5154 -5.4268 -5.4268 -5.1253 -5.1253 -5.0642 -5.0642 -3.0365 -3.0365 -2.8971 -2.8971 -0.2251 -0.2251 0.3327 0.3327 3.7820 3.7820 4.5367 4.5367 4.8117 4.8117 5.3741 5.3741 5.7572 5.7572 6.3732 6.3732 6.7308 6.7308 7.3954 7.3954 7.6378 7.6378 8.0000 8.0000 8.2499 8.2499 8.7291 8.7291 k = 0.0000 0.3902 0.2358 ( 5521 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2353 -7.2353 -7.2209 -7.2209 -5.5154 -5.5154 -5.4268 -5.4268 -5.1253 -5.1253 -5.0642 -5.0642 -3.0365 -3.0365 -2.8971 -2.8971 -0.2251 -0.2251 0.3327 0.3327 3.7820 3.7820 4.5367 4.5367 4.8117 4.8117 5.3741 5.3741 5.7572 5.7572 6.3732 6.3732 6.7308 6.7308 7.3954 7.3954 7.6378 7.6378 8.0000 8.0000 8.2499 8.2499 8.7291 8.7291 k = 0.0000 0.3946 0.2235 ( 5520 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2358 -7.2358 -7.2206 -7.2206 -5.5122 -5.5122 -5.4316 -5.4316 -5.1260 -5.1260 -5.0630 -5.0630 -3.0277 -3.0277 -2.9039 -2.9039 -0.2232 -0.2232 0.3309 0.3309 3.8015 3.8015 4.4825 4.4825 4.8102 4.8102 5.3649 5.3649 5.7926 5.7926 6.4013 6.4013 6.7245 6.7245 7.3719 7.3719 7.6607 7.6607 7.9931 7.9931 8.2663 8.2663 8.7190 8.7190 k = 0.0000 0.3989 0.2112 ( 5516 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2363 -7.2363 -7.2203 -7.2203 -5.5088 -5.5088 -5.4364 -5.4364 -5.1266 -5.1266 -5.0620 -5.0620 -3.0180 -3.0180 -2.9119 -2.9119 -0.2214 -0.2214 0.3290 0.3290 3.8239 3.8239 4.4283 4.4283 4.8114 4.8114 5.3561 5.3561 5.8267 5.8267 6.4263 6.4263 6.7130 6.7130 7.3484 7.3484 7.6884 7.6884 7.9844 7.9844 8.2836 8.2836 8.7090 8.7090 k = 0.0000 0.4033 0.1989 ( 5525 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2366 -7.2366 -7.2201 -7.2201 -5.5053 -5.5053 -5.4412 -5.4412 -5.1270 -5.1270 -5.0612 -5.0612 -3.0078 -3.0078 -2.9209 -2.9209 -0.2196 -0.2196 0.3273 0.3273 3.8483 3.8483 4.3766 4.3766 4.8137 4.8137 5.3481 5.3481 5.8582 5.8582 6.4488 6.4488 6.6973 6.6973 7.3274 7.3274 7.7178 7.7178 7.9741 7.9741 8.3006 8.3006 8.6993 8.6993 k = 0.0000 0.4077 0.1866 ( 5525 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2369 -7.2369 -7.2199 -7.2199 -5.5020 -5.5020 -5.4455 -5.4455 -5.1273 -5.1273 -5.0606 -5.0606 -2.9970 -2.9970 -2.9306 -2.9306 -0.2182 -0.2182 0.3259 0.3259 3.8731 3.8731 4.3299 4.3299 4.8162 4.8162 5.3413 5.3413 5.8851 5.8851 6.4690 6.4690 6.6790 6.6790 7.3104 7.3104 7.7461 7.7461 7.9629 7.9629 8.3158 8.3158 8.6906 8.6906 k = 0.0000 0.4121 0.1743 ( 5528 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2371 -7.2371 -7.2198 -7.2198 -5.4991 -5.4991 -5.4491 -5.4491 -5.1276 -5.1276 -5.0601 -5.0601 -2.9859 -2.9859 -2.9409 -2.9409 -0.2170 -0.2170 0.3247 0.3247 3.8955 3.8955 4.2914 4.2914 4.8184 4.8184 5.3362 5.3362 5.9059 5.9059 6.4865 6.4865 6.6608 6.6608 7.2980 7.2980 7.7707 7.7707 7.9520 7.9520 8.3279 8.3279 8.6835 8.6835 k = 0.0000 0.4164 0.1620 ( 5537 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2372 -7.2372 -7.2197 -7.2197 -5.4972 -5.4972 -5.4515 -5.4515 -5.1277 -5.1277 -5.0598 -5.0598 -2.9748 -2.9748 -2.9517 -2.9517 -0.2163 -0.2163 0.3240 0.3240 3.9119 3.9119 4.2653 4.2653 4.8198 4.8198 5.3330 5.3330 5.9191 5.9191 6.4993 6.4993 6.6466 6.6466 7.2905 7.2905 7.7880 7.7880 7.9433 7.9433 8.3358 8.3358 8.6789 8.6789 k = 0.0000 0.4208 0.1497 ( 5538 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2373 -7.2373 -7.2197 -7.2197 -5.4964 -5.4964 -5.4524 -5.4524 -5.1278 -5.1278 -5.0597 -5.0597 -2.9657 -2.9657 -2.9606 -2.9606 -0.2161 -0.2161 0.3238 0.3238 3.9180 3.9180 4.2560 4.2560 4.8203 4.8203 5.3320 5.3320 5.9237 5.9237 6.5043 6.5043 6.6410 6.6410 7.2880 7.2880 7.7944 7.7944 7.9399 7.9399 8.3385 8.3385 8.6772 8.6772 k = 0.0000 0.4208 0.1497 ( 5538 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2373 -7.2373 -7.2197 -7.2197 -5.4964 -5.4964 -5.4524 -5.4524 -5.1278 -5.1278 -5.0597 -5.0597 -2.9657 -2.9657 -2.9606 -2.9606 -0.2161 -0.2161 0.3238 0.3238 3.9180 3.9180 4.2560 4.2560 4.8203 4.8203 5.3320 5.3320 5.9237 5.9237 6.5043 6.5043 6.6410 6.6410 7.2880 7.2880 7.7944 7.7944 7.9399 7.9399 8.3385 8.3385 8.6772 8.6772 k = 0.0135 0.4208 0.1497 ( 5532 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2373 -7.2373 -7.2197 -7.2197 -5.4962 -5.4962 -5.4521 -5.4521 -5.1283 -5.1283 -5.0602 -5.0602 -2.9652 -2.9652 -2.9592 -2.9592 -0.2163 -0.2163 0.3214 0.3214 3.9197 3.9197 4.2564 4.2564 4.8158 4.8158 5.3128 5.3128 5.9271 5.9271 6.5115 6.5115 6.6445 6.6445 7.2802 7.2802 7.7858 7.7858 7.9499 7.9499 8.3479 8.3479 8.6854 8.6854 k = 0.0270 0.4208 0.1497 ( 5530 PWs) bands (ev): -20.5008 -20.5008 -20.4886 -20.4886 -7.2374 -7.2374 -7.2198 -7.2198 -5.4954 -5.4954 -5.4513 -5.4513 -5.1297 -5.1297 -5.0616 -5.0616 -2.9637 -2.9637 -2.9550 -2.9550 -0.2172 -0.2172 0.3143 0.3143 3.9246 3.9246 4.2579 4.2579 4.8025 4.8025 5.2591 5.2591 5.9357 5.9357 6.5290 6.5290 6.6558 6.6558 7.2576 7.2576 7.7675 7.7675 7.9745 7.9745 8.3750 8.3750 8.7090 8.7090 k = 0.0405 0.4208 0.1497 ( 5540 PWs) bands (ev): -20.5006 -20.5006 -20.4884 -20.4884 -7.2375 -7.2375 -7.2199 -7.2199 -5.4941 -5.4941 -5.4499 -5.4499 -5.1321 -5.1321 -5.0639 -5.0639 -2.9606 -2.9606 -2.9485 -2.9485 -0.2186 -0.2186 0.3025 0.3025 3.9329 3.9329 4.2601 4.2601 4.7811 4.7811 5.1797 5.1797 5.9462 5.9462 6.5461 6.5461 6.6758 6.6758 7.2225 7.2225 7.7522 7.7522 8.0066 8.0066 8.4173 8.4173 8.7462 8.7462 k = 0.0541 0.4208 0.1497 ( 5528 PWs) bands (ev): -20.5003 -20.5003 -20.4882 -20.4882 -7.2377 -7.2377 -7.2201 -7.2201 -5.4922 -5.4922 -5.4480 -5.4480 -5.1355 -5.1355 -5.0671 -5.0671 -2.9560 -2.9560 -2.9398 -2.9398 -0.2207 -0.2207 0.2860 0.2860 3.9444 3.9444 4.2627 4.2627 4.7525 4.7525 5.0837 5.0837 5.9565 5.9565 6.5535 6.5535 6.7011 6.7011 7.1788 7.1788 7.7493 7.7493 8.0438 8.0438 8.4715 8.4715 8.7942 8.7942 k = 0.0676 0.4208 0.1497 ( 5518 PWs) bands (ev): -20.4999 -20.4999 -20.4879 -20.4879 -7.2380 -7.2380 -7.2203 -7.2203 -5.4899 -5.4899 -5.4455 -5.4455 -5.1397 -5.1397 -5.0711 -5.0711 -2.9497 -2.9497 -2.9289 -2.9289 -0.2235 -0.2235 0.2648 0.2648 3.9590 3.9590 4.2651 4.2651 4.7179 4.7179 4.9783 4.9783 5.9659 5.9659 6.5473 6.5473 6.7222 6.7222 7.1309 7.1309 7.7661 7.7661 8.0857 8.0857 8.5346 8.5346 8.8504 8.8504 k = 0.0811 0.4208 0.1497 ( 5522 PWs) bands (ev): -20.4995 -20.4995 -20.4876 -20.4876 -7.2383 -7.2383 -7.2206 -7.2206 -5.4871 -5.4871 -5.4426 -5.4426 -5.1448 -5.1448 -5.0759 -5.0759 -2.9419 -2.9419 -2.9157 -2.9157 -0.2272 -0.2272 0.2391 0.2391 3.9765 3.9765 4.2665 4.2665 4.6781 4.6781 4.8696 4.8696 5.9744 5.9744 6.5260 6.5260 6.7305 6.7305 7.0834 7.0834 7.8061 7.8061 8.1320 8.1320 8.6044 8.6044 8.9124 8.9124 k = 0.0946 0.4208 0.1497 ( 5518 PWs) bands (ev): -20.4990 -20.4990 -20.4872 -20.4872 -7.2386 -7.2386 -7.2210 -7.2210 -5.4839 -5.4839 -5.4391 -5.4391 -5.1507 -5.1507 -5.0815 -5.0815 -2.9325 -2.9325 -2.9003 -2.9003 -0.2318 -0.2318 0.2089 0.2089 3.9969 3.9969 4.2651 4.2651 4.6331 4.6331 4.7638 4.7638 5.9820 5.9820 6.4885 6.4885 6.7219 6.7219 7.0401 7.0401 7.8689 7.8689 8.1822 8.1822 8.6797 8.6797 8.9780 8.9780 k = 0.1081 0.4208 0.1497 ( 5516 PWs) bands (ev): -20.4984 -20.4984 -20.4868 -20.4868 -7.2391 -7.2391 -7.2214 -7.2214 -5.4802 -5.4802 -5.4352 -5.4352 -5.1573 -5.1573 -5.0878 -5.0878 -2.9215 -2.9215 -2.8827 -2.8827 -0.2376 -0.2376 0.1742 0.1742 4.0197 4.0197 4.2578 4.2578 4.5787 4.5787 4.6715 4.6715 5.9886 5.9886 6.4348 6.4348 6.6974 6.6974 7.0031 7.0031 7.9503 7.9503 8.2354 8.2354 8.7597 8.7597 9.0455 9.0455 k = 0.1216 0.4208 0.1497 ( 5516 PWs) bands (ev): -20.4977 -20.4977 -20.4863 -20.4863 -7.2396 -7.2396 -7.2219 -7.2219 -5.4761 -5.4761 -5.4308 -5.4308 -5.1645 -5.1645 -5.0947 -5.0947 -2.9089 -2.9089 -2.8628 -2.8628 -0.2446 -0.2446 0.1353 0.1353 4.0448 4.0448 4.2389 4.2389 4.5102 4.5102 4.6062 4.6062 5.9940 5.9940 6.3666 6.3666 6.6600 6.6600 6.9726 6.9726 8.0441 8.0441 8.2904 8.2904 8.8443 8.8443 9.1132 9.1132 k = 0.1351 0.4208 0.1497 ( 5522 PWs) bands (ev): -20.4970 -20.4970 -20.4857 -20.4857 -7.2401 -7.2401 -7.2225 -7.2225 -5.4717 -5.4717 -5.4260 -5.4260 -5.1723 -5.1723 -5.1021 -5.1021 -2.8947 -2.8947 -2.8407 -2.8407 -0.2531 -0.2531 0.0923 0.0923 4.0715 4.0715 4.2002 4.2002 4.4417 4.4417 4.5645 4.5645 5.9975 5.9975 6.2871 6.2871 6.6134 6.6134 6.9471 6.9471 8.1439 8.1439 8.3461 8.3461 8.9337 8.9337 9.1796 9.1796 k = 0.1486 0.4208 0.1497 ( 5524 PWs) bands (ev): -20.4962 -20.4962 -20.4852 -20.4852 -7.2408 -7.2408 -7.2232 -7.2232 -5.4670 -5.4670 -5.4209 -5.4209 -5.1805 -5.1805 -5.1100 -5.1100 -2.8788 -2.8788 -2.8163 -2.8163 -0.2633 -0.2633 0.0452 0.0452 4.0973 4.0973 4.1386 4.1386 4.3890 4.3890 4.5374 4.5374 5.9977 5.9977 6.2001 6.2001 6.5614 6.5614 6.9245 6.9245 8.2439 8.2439 8.4019 8.4019 9.0281 9.0281 9.2436 9.2436 k = 0.1622 0.4208 0.1497 ( 5524 PWs) bands (ev): -20.4953 -20.4953 -20.4846 -20.4846 -7.2415 -7.2415 -7.2240 -7.2240 -5.4619 -5.4619 -5.4154 -5.4154 -5.1892 -5.1892 -5.1182 -5.1182 -2.8614 -2.8614 -2.7897 -2.7897 -0.2753 -0.2753 -0.0056 -0.0056 4.0513 4.0513 4.1306 4.1306 4.3506 4.3506 4.5221 4.5221 5.9904 5.9904 6.1118 6.1118 6.5068 6.5068 6.9030 6.9030 8.3381 8.3381 8.4581 8.4581 9.1274 9.1274 9.3047 9.3047 k = 0.1757 0.4208 0.1497 ( 5534 PWs) bands (ev): -20.4944 -20.4944 -20.4839 -20.4839 -7.2422 -7.2422 -7.2249 -7.2249 -5.4567 -5.4567 -5.4097 -5.4097 -5.1981 -5.1981 -5.1267 -5.1267 -2.8423 -2.8423 -2.7609 -2.7609 -0.2895 -0.2895 -0.0600 -0.0600 3.9621 3.9621 4.1551 4.1551 4.3217 4.3217 4.5162 4.5162 5.9577 5.9577 6.0416 6.0416 6.4526 6.4526 6.8812 6.8812 8.4200 8.4200 8.5176 8.5176 9.2306 9.2306 9.3634 9.3634 k = 0.1892 0.4208 0.1497 ( 5532 PWs) bands (ev): -20.4935 -20.4935 -20.4833 -20.4833 -7.2430 -7.2430 -7.2259 -7.2259 -5.4513 -5.4513 -5.4037 -5.4037 -5.2073 -5.2073 -5.1354 -5.1354 -2.8215 -2.8215 -2.7299 -2.7299 -0.3060 -0.3060 -0.1177 -0.1177 3.8710 3.8710 4.1722 4.1722 4.3041 4.3041 4.5173 4.5173 5.8788 5.8788 6.0107 6.0107 6.4009 6.4009 6.8582 6.8582 8.4846 8.4846 8.5832 8.5832 9.3339 9.3339 9.4231 9.4231 k = 0.2027 0.4208 0.1497 ( 5540 PWs) bands (ev): -20.4925 -20.4925 -20.4826 -20.4826 -7.2439 -7.2439 -7.2270 -7.2270 -5.4458 -5.4458 -5.3976 -5.3976 -5.2165 -5.2165 -5.1442 -5.1442 -2.7990 -2.7990 -2.6968 -2.6968 -0.3251 -0.3251 -0.1786 -0.1786 3.7822 3.7822 4.1733 4.1733 4.3046 4.3046 4.5229 4.5229 5.7826 5.7826 5.9909 5.9909 6.3539 6.3539 6.8332 6.8332 8.5334 8.5334 8.6525 8.6525 9.4247 9.4247 9.4957 9.4957 k = 0.2162 0.4208 0.1497 ( 5548 PWs) bands (ev): -20.4915 -20.4915 -20.4819 -20.4819 -7.2449 -7.2449 -7.2282 -7.2282 -5.4402 -5.4402 -5.3913 -5.3913 -5.2257 -5.2257 -5.1530 -5.1530 -2.7747 -2.7747 -2.6615 -2.6615 -0.3470 -0.3470 -0.2423 -0.2423 3.6975 3.6975 4.1587 4.1587 4.3226 4.3226 4.5311 4.5311 5.6835 5.6835 5.9683 5.9683 6.3129 6.3129 6.8061 6.8061 8.5720 8.5720 8.7203 8.7203 9.4902 9.4902 9.5923 9.5923 k = 0.2297 0.4208 0.1497 ( 5546 PWs) bands (ev): -20.4905 -20.4905 -20.4812 -20.4812 -7.2459 -7.2459 -7.2294 -7.2294 -5.4346 -5.4346 -5.3851 -5.3851 -5.2347 -5.2347 -5.1616 -5.1616 -2.7487 -2.7487 -2.6240 -2.6240 -0.3720 -0.3720 -0.3084 -0.3084 3.6183 3.6183 4.1369 4.1369 4.3490 4.3490 4.5408 4.5408 5.5854 5.5854 5.9407 5.9407 6.2783 6.2783 6.7766 6.7766 8.6041 8.6041 8.7840 8.7840 9.5433 9.5433 9.6982 9.6982 k = 0.2432 0.4208 0.1497 ( 5560 PWs) bands (ev): -20.4894 -20.4894 -20.4805 -20.4805 -7.2469 -7.2469 -7.2308 -7.2308 -5.4292 -5.4292 -5.3789 -5.3789 -5.2435 -5.2435 -5.1701 -5.1701 -2.7209 -2.7209 -2.5845 -2.5845 -0.4008 -0.4008 -0.3760 -0.3760 3.5452 3.5452 4.1132 4.1132 4.3776 4.3776 4.5510 4.5510 5.4903 5.4903 5.9085 5.9085 6.2496 6.2496 6.7448 6.7448 8.6317 8.6317 8.8431 8.8431 9.5930 9.5930 9.8019 9.8019 k = 0.2568 0.4208 0.1497 ( 5560 PWs) bands (ev): -20.4884 -20.4884 -20.4798 -20.4798 -7.2480 -7.2480 -7.2323 -7.2323 -5.4239 -5.4239 -5.3730 -5.3730 -5.2518 -5.2518 -5.1783 -5.1783 -2.6913 -2.6913 -2.5430 -2.5430 -0.4500 -0.4500 -0.4285 -0.4285 3.4790 3.4790 4.0902 4.0902 4.4046 4.4046 4.5609 4.5609 5.4002 5.4002 5.8734 5.8734 6.2252 6.2252 6.7107 6.7107 8.6563 8.6563 8.8979 8.8979 9.6418 9.6418 9.8978 9.8978 k = 0.2703 0.4208 0.1497 ( 5560 PWs) bands (ev): -20.4873 -20.4873 -20.4792 -20.4792 -7.2491 -7.2491 -7.2339 -7.2339 -5.4188 -5.4188 -5.3674 -5.3674 -5.2595 -5.2595 -5.1860 -5.1860 -2.6598 -2.6598 -2.4994 -2.4994 -0.5212 -0.5212 -0.4642 -0.4642 3.4199 3.4199 4.0685 4.0685 4.4274 4.4274 4.5700 4.5700 5.3175 5.3175 5.8376 5.8376 6.2036 6.2036 6.6744 6.6744 8.6787 8.6787 8.9486 8.9486 9.6906 9.6906 9.9816 9.9816 k = 0.2838 0.4208 0.1497 ( 5554 PWs) bands (ev): -20.4863 -20.4863 -20.4785 -20.4785 -7.2502 -7.2502 -7.2356 -7.2356 -5.4140 -5.4140 -5.3625 -5.3625 -5.2664 -5.2664 -5.1934 -5.1934 -2.6265 -2.6265 -2.4539 -2.4539 -0.5947 -0.5947 -0.5023 -0.5023 3.3681 3.3681 4.0487 4.0487 4.4434 4.4434 4.5770 4.5770 5.2449 5.2449 5.8029 5.8029 6.1833 6.1833 6.6362 6.6362 8.6999 8.6999 8.9958 8.9958 9.7399 9.7399 10.0506 10.0506 k = 0.2973 0.4208 0.1497 ( 5558 PWs) bands (ev): -20.4852 -20.4852 -20.4779 -20.4779 -7.2513 -7.2513 -7.2373 -7.2373 -5.4096 -5.4096 -5.3583 -5.3583 -5.2722 -5.2722 -5.2002 -5.2002 -2.5913 -2.5913 -2.4065 -2.4065 -0.6694 -0.6694 -0.5437 -0.5437 3.3240 3.3240 4.0306 4.0306 4.4506 4.4506 4.5803 4.5803 5.1860 5.1860 5.7708 5.7708 6.1631 6.1631 6.5962 6.5962 8.7206 8.7206 9.0397 9.0397 9.7899 9.7900 10.1051 10.1051 k = 0.3108 0.4208 0.1497 ( 5560 PWs) bands (ev): -20.4842 -20.4842 -20.4772 -20.4772 -7.2525 -7.2525 -7.2390 -7.2390 -5.4056 -5.4056 -5.3553 -5.3553 -5.2766 -5.2766 -5.2064 -5.2064 -2.5542 -2.5542 -2.3573 -2.3573 -0.7449 -0.7449 -0.5884 -0.5884 3.2875 3.2875 4.0140 4.0140 4.4471 4.4471 4.5782 4.5782 5.1442 5.1442 5.7425 5.7425 6.1424 6.1424 6.5548 6.5548 8.7411 8.7411 9.0802 9.0802 9.8408 9.8408 10.1483 10.1483 k = 0.3243 0.4208 0.1497 ( 5562 PWs) bands (ev): -20.4831 -20.4831 -20.4767 -20.4767 -7.2535 -7.2535 -7.2408 -7.2408 -5.4021 -5.4021 -5.3535 -5.3535 -5.2795 -5.2795 -5.2120 -5.2120 -2.5151 -2.5151 -2.3064 -2.3064 -0.8210 -0.8210 -0.6363 -0.6363 3.2587 3.2587 3.9984 3.9984 4.4322 4.4322 4.5698 4.5698 5.1216 5.1216 5.7188 5.7188 6.1207 6.1207 6.5122 6.5122 8.7620 8.7620 9.1172 9.1172 9.8925 9.8925 10.1835 10.1835 k = 0.3378 0.4208 0.1497 ( 5574 PWs) bands (ev): -20.4821 -20.4821 -20.4761 -20.4761 -7.2546 -7.2546 -7.2426 -7.2426 -5.3990 -5.3990 -5.3533 -5.3533 -5.2806 -5.2806 -5.2170 -5.2170 -2.4741 -2.4741 -2.2538 -2.2538 -0.8972 -0.8972 -0.6872 -0.6872 3.2374 3.2374 3.9829 3.9829 4.4060 4.4060 4.5562 4.5562 5.1174 5.1174 5.7001 5.7001 6.0977 6.0977 6.4686 6.4686 8.7836 8.7836 9.1501 9.1501 9.9450 9.9450 10.2137 10.2137 k = 0.3514 0.4208 0.1497 ( 5572 PWs) bands (ev): -20.4812 -20.4812 -20.4756 -20.4756 -7.2556 -7.2556 -7.2444 -7.2444 -5.3965 -5.3965 -5.3543 -5.3543 -5.2802 -5.2802 -5.2214 -5.2214 -2.4312 -2.4312 -2.1998 -2.1998 -0.9732 -0.9732 -0.7410 -0.7410 3.2236 3.2236 3.9663 3.9663 4.3711 4.3711 4.5389 4.5389 5.1289 5.1289 5.6865 5.6865 6.0735 6.0735 6.4244 6.4244 8.8062 8.8062 9.1785 9.1785 9.9981 9.9981 10.2407 10.2407 k = 0.3649 0.4208 0.1497 ( 5576 PWs) bands (ev): -20.4803 -20.4803 -20.4752 -20.4752 -7.2565 -7.2565 -7.2462 -7.2462 -5.3943 -5.3943 -5.3565 -5.3565 -5.2784 -5.2784 -5.2251 -5.2251 -2.3863 -2.3863 -2.1445 -2.1445 -1.0488 -1.0488 -0.7974 -0.7974 3.2170 3.2170 3.9469 3.9469 4.3320 4.3320 4.5191 4.5191 5.1520 5.1520 5.6778 5.6778 6.0483 6.0483 6.3799 6.3799 8.8298 8.8298 9.2015 9.2015 10.0517 10.0517 10.2661 10.2661 k = 0.3784 0.4208 0.1497 ( 5578 PWs) bands (ev): -20.4794 -20.4794 -20.4748 -20.4748 -7.2574 -7.2574 -7.2479 -7.2479 -5.3927 -5.3927 -5.3594 -5.3594 -5.2757 -5.2757 -5.2283 -5.2283 -2.3396 -2.3396 -2.0882 -2.0882 -1.1234 -1.1234 -0.8562 -0.8562 3.2175 3.2175 3.9227 3.9227 4.2939 4.2939 4.4974 4.4974 5.1834 5.1834 5.6734 5.6734 6.0224 6.0224 6.3352 6.3352 8.8546 8.8546 9.2186 9.2186 10.1054 10.1054 10.2913 10.2913 k = 0.3919 0.4208 0.1497 ( 5586 PWs) bands (ev): -20.4786 -20.4786 -20.4744 -20.4744 -7.2581 -7.2581 -7.2496 -7.2496 -5.3913 -5.3913 -5.3626 -5.3626 -5.2724 -5.2724 -5.2310 -5.2310 -2.2910 -2.2910 -2.0313 -2.0313 -1.1965 -1.1965 -0.9169 -0.9169 3.2247 3.2247 3.8918 3.8918 4.2616 4.2616 4.4740 4.4740 5.2204 5.2204 5.6724 5.6724 5.9967 5.9967 6.2907 6.2907 8.8805 8.8805 9.2293 9.2293 10.1591 10.1591 10.3174 10.3174 k = 0.4054 0.4208 0.1497 ( 5590 PWs) bands (ev): -20.4778 -20.4778 -20.4742 -20.4742 -7.2587 -7.2587 -7.2512 -7.2512 -5.3903 -5.3903 -5.3660 -5.3660 -5.2689 -5.2689 -5.2333 -5.2333 -2.2406 -2.2406 -1.9745 -1.9745 -1.2674 -1.2674 -0.9793 -0.9793 3.2384 3.2384 3.8532 3.8532 4.2379 4.2379 4.4493 4.4493 5.2610 5.2610 5.6732 5.6732 5.9721 5.9721 6.2467 6.2467 8.9076 8.9076 9.2335 9.2335 10.2121 10.2121 10.3447 10.3447 k = 0.4189 0.4208 0.1497 ( 5580 PWs) bands (ev): -20.4771 -20.4771 -20.4740 -20.4740 -7.2592 -7.2592 -7.2527 -7.2527 -5.3895 -5.3895 -5.3693 -5.3693 -5.2652 -5.2652 -5.2354 -5.2354 -2.1885 -2.1885 -1.9189 -1.9189 -1.3348 -1.3348 -1.0429 -1.0429 3.2582 3.2582 3.8074 3.8074 4.2237 4.2237 4.4237 4.4237 5.3038 5.3038 5.6740 5.6740 5.9505 5.9505 6.2035 6.2035 8.9358 8.9358 9.2311 9.2311 10.2638 10.2638 10.3733 10.3733 k = 0.4324 0.4208 0.1497 ( 5578 PWs) bands (ev): -20.4764 -20.4764 -20.4738 -20.4738 -7.2596 -7.2596 -7.2541 -7.2541 -5.3887 -5.3887 -5.3725 -5.3725 -5.2616 -5.2616 -5.2372 -5.2372 -2.1348 -2.1348 -1.8665 -1.8665 -1.3967 -1.3967 -1.1074 -1.1074 3.2838 3.2838 3.7563 3.7563 4.2184 4.2184 4.3976 4.3976 5.3478 5.3478 5.6719 5.6719 5.9340 5.9340 6.1613 6.1613 8.9649 8.9649 9.2226 9.2226 10.3135 10.3135 10.4024 10.4024 k = 0.4459 0.4208 0.1497 ( 5578 PWs) bands (ev): -20.4758 -20.4758 -20.4737 -20.4737 -7.2598 -7.2598 -7.2554 -7.2554 -5.3880 -5.3880 -5.3754 -5.3754 -5.2582 -5.2582 -5.2390 -5.2390 -2.0799 -2.0799 -1.8218 -1.8218 -1.4487 -1.4487 -1.1721 -1.1721 3.3149 3.3149 3.7019 3.7019 4.2203 4.2203 4.3714 4.3714 5.3922 5.3922 5.6642 5.6642 5.9254 5.9254 6.1205 6.1205 8.9947 8.9947 9.2086 9.2086 10.3600 10.3600 10.4305 10.4305 k = 0.4595 0.4208 0.1497 ( 5574 PWs) bands (ev): -20.4753 -20.4753 -20.4737 -20.4737 -7.2598 -7.2598 -7.2565 -7.2565 -5.3873 -5.3873 -5.3780 -5.3780 -5.2549 -5.2549 -5.2407 -5.2407 -2.0241 -2.0241 -1.7932 -1.7932 -1.4822 -1.4822 -1.2366 -1.2366 3.3509 3.3509 3.6462 3.6462 4.2281 4.2281 4.3457 4.3457 5.4363 5.4363 5.6488 5.6488 5.9264 5.9264 6.0815 6.0815 9.0249 9.0249 9.1899 9.1899 10.4018 10.4018 10.4551 10.4551 k = 0.4730 0.4208 0.1497 ( 5580 PWs) bands (ev): -20.4749 -20.4749 -20.4738 -20.4738 -7.2597 -7.2597 -7.2575 -7.2575 -5.3864 -5.3864 -5.3803 -5.3803 -5.2519 -5.2519 -5.2426 -5.2426 -1.9680 -1.9680 -1.7914 -1.7914 -1.4867 -1.4867 -1.2998 -1.2998 3.3917 3.3917 3.5908 3.5908 4.2406 4.2406 4.3209 4.3209 5.4795 5.4795 5.6254 5.6254 5.9370 5.9370 6.0448 6.0448 9.0552 9.0552 9.1674 9.1674 10.4371 10.4371 10.4732 10.4732 k = 0.4865 0.4208 0.1497 ( 5584 PWs) bands (ev): -20.4745 -20.4745 -20.4740 -20.4740 -7.2594 -7.2594 -7.2583 -7.2583 -5.3853 -5.3853 -5.3823 -5.3823 -5.2492 -5.2492 -5.2446 -5.2446 -1.9128 -1.9128 -1.8174 -1.8174 -1.4611 -1.4611 -1.3604 -1.3604 3.4366 3.4366 3.5368 3.5368 4.2568 4.2568 4.2975 4.2975 5.5209 5.5209 5.5952 5.5952 5.9558 5.9558 6.0110 6.0110 9.0852 9.0852 9.1420 9.1420 10.4635 10.4635 10.4819 10.4819 k = 0.5000 0.4208 0.1497 ( 5588 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3839 -5.3839 -5.3839 -5.3839 -5.2468 -5.2468 -5.2468 -5.2468 -1.8610 -1.8610 -1.8610 -1.8610 -1.4159 -1.4159 -1.4159 -1.4159 3.4851 3.4851 3.4851 3.4851 4.2759 4.2759 4.2759 4.2759 5.5599 5.5599 5.5599 5.5599 5.9810 5.9810 5.9810 5.9810 9.1143 9.1143 9.1143 9.1143 10.4788 10.4788 10.4788 10.4788 k = 0.5000 0.4208 0.1497 ( 5588 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3839 -5.3839 -5.3839 -5.3839 -5.2468 -5.2468 -5.2468 -5.2468 -1.8610 -1.8610 -1.8610 -1.8610 -1.4159 -1.4159 -1.4159 -1.4159 3.4851 3.4851 3.4851 3.4851 4.2759 4.2759 4.2759 4.2759 5.5599 5.5599 5.5599 5.5599 5.9810 5.9810 5.9810 5.9810 9.1143 9.1143 9.1143 9.1143 10.4788 10.4788 10.4788 10.4788 k = 0.5000 0.4252 0.1374 ( 5584 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3849 -5.3849 -5.3830 -5.3830 -5.2478 -5.2478 -5.2457 -5.2457 -1.8612 -1.8612 -1.8601 -1.8601 -1.4168 -1.4168 -1.4158 -1.4158 3.4811 3.4811 3.4881 3.4881 4.2728 4.2728 4.2814 4.2814 5.5590 5.5590 5.5621 5.5621 5.9778 5.9778 5.9837 5.9837 9.1036 9.1036 9.1178 9.1178 10.4795 10.4795 10.4803 10.4803 k = 0.5000 0.4295 0.1251 ( 5584 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3859 -5.3859 -5.3820 -5.3820 -5.2487 -5.2487 -5.2447 -5.2447 -1.8606 -1.8606 -1.8586 -1.8586 -1.4186 -1.4186 -1.4165 -1.4165 3.4760 3.4760 3.4898 3.4898 4.2720 4.2720 4.2889 4.2889 5.5596 5.5596 5.5657 5.5657 5.9745 5.9745 5.9862 5.9862 9.0861 9.0861 9.1140 9.1140 10.4818 10.4818 10.4840 10.4840 k = 0.5000 0.4339 0.1128 ( 5586 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3868 -5.3868 -5.3812 -5.3812 -5.2495 -5.2495 -5.2438 -5.2438 -1.8594 -1.8594 -1.8563 -1.8563 -1.4211 -1.4211 -1.4179 -1.4179 3.4703 3.4703 3.4902 3.4902 4.2737 4.2737 4.2981 4.2981 5.5615 5.5615 5.5703 5.5703 5.9711 5.9711 5.9885 5.9885 9.0628 9.0628 9.1031 9.1031 10.4852 10.4852 10.4895 10.4895 k = 0.5000 0.4383 0.1006 ( 5574 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3877 -5.3877 -5.3805 -5.3805 -5.2502 -5.2502 -5.2429 -5.2429 -1.8575 -1.8575 -1.8535 -1.8535 -1.4243 -1.4243 -1.4201 -1.4201 3.4641 3.4641 3.4895 3.4895 4.2778 4.2778 4.3086 4.3086 5.5643 5.5643 5.5756 5.5756 5.9682 5.9682 5.9909 5.9909 9.0346 9.0346 9.0858 9.0858 10.4889 10.4889 10.4963 10.4963 k = 0.5000 0.4427 0.0883 ( 5572 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3884 -5.3884 -5.3800 -5.3800 -5.2507 -5.2507 -5.2421 -5.2421 -1.8550 -1.8550 -1.8500 -1.8500 -1.4282 -1.4282 -1.4229 -1.4229 3.4578 3.4578 3.4877 3.4877 4.2838 4.2838 4.3199 4.3199 5.5679 5.5679 5.5810 5.5810 5.9662 5.9662 5.9938 5.9938 9.0028 9.0028 9.0631 9.0631 10.4921 10.4921 10.5035 10.5035 k = 0.5000 0.4470 0.0760 ( 5572 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3891 -5.3891 -5.3797 -5.3797 -5.2510 -5.2510 -5.2415 -5.2415 -1.8520 -1.8520 -1.8461 -1.8461 -1.4327 -1.4327 -1.4264 -1.4264 3.4516 3.4516 3.4851 3.4851 4.2917 4.2917 4.3316 4.3316 5.5717 5.5717 5.5859 5.5859 5.9656 5.9656 5.9976 5.9976 8.9687 8.9687 9.0360 9.0360 10.4942 10.4942 10.5098 10.5098 k = 0.5000 0.4514 0.0637 ( 5576 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3895 -5.3895 -5.3795 -5.3795 -5.2511 -5.2511 -5.2410 -5.2410 -1.8484 -1.8484 -1.8418 -1.8418 -1.4376 -1.4376 -1.4303 -1.4303 3.4460 3.4460 3.4819 3.4819 4.3008 4.3008 4.3431 4.3431 5.5753 5.5753 5.5898 5.5898 5.9673 5.9673 6.0027 6.0027 8.9333 8.9333 9.0057 9.0057 10.4942 10.4942 10.5133 10.5133 k = 0.5000 0.4514 0.0637 ( 5576 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3895 -5.3895 -5.3795 -5.3795 -5.2511 -5.2511 -5.2410 -5.2410 -1.8484 -1.8484 -1.8418 -1.8418 -1.4376 -1.4376 -1.4303 -1.4303 3.4460 3.4460 3.4819 3.4819 4.3008 4.3008 4.3431 4.3431 5.5753 5.5753 5.5898 5.5898 5.9673 5.9673 6.0027 6.0027 8.9333 8.9333 9.0057 9.0057 10.4942 10.4942 10.5133 10.5133 k = 0.5000 0.4489 0.0512 ( 5576 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3899 -5.3899 -5.3790 -5.3790 -5.2517 -5.2517 -5.2406 -5.2406 -1.8459 -1.8459 -1.8393 -1.8393 -1.4405 -1.4405 -1.4335 -1.4335 3.4418 3.4418 3.4787 3.4787 4.3025 4.3025 4.3466 4.3466 5.5740 5.5740 5.5898 5.5898 5.9795 5.9795 6.0163 6.0163 8.9055 8.9055 8.9827 8.9827 10.4766 10.4766 10.4896 10.4896 k = 0.5000 0.4463 0.0387 ( 5572 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3901 -5.3901 -5.3787 -5.3787 -5.2521 -5.2521 -5.2405 -5.2405 -1.8432 -1.8432 -1.8366 -1.8366 -1.4436 -1.4436 -1.4370 -1.4370 3.4387 3.4387 3.4759 3.4759 4.3041 4.3041 4.3487 4.3487 5.5717 5.5717 5.5881 5.5881 5.9941 5.9941 6.0314 6.0314 8.8795 8.8795 8.9594 8.9594 10.4546 10.4546 10.4589 10.4589 k = 0.5000 0.4438 0.0263 ( 5574 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3901 -5.3901 -5.3786 -5.3786 -5.2523 -5.2523 -5.2405 -5.2405 -1.8402 -1.8402 -1.8338 -1.8338 -1.4469 -1.4469 -1.4408 -1.4408 3.4368 3.4368 3.4733 3.4733 4.3055 4.3055 4.3497 4.3497 5.5686 5.5686 5.5848 5.5848 6.0108 6.0108 6.0475 6.0475 8.8558 8.8558 8.9365 8.9365 10.4226 10.4226 10.4281 10.4281 k = 0.5000 0.4412 0.0138 ( 5578 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3900 -5.3900 -5.3786 -5.3786 -5.2524 -5.2524 -5.2407 -5.2407 -1.8371 -1.8371 -1.8311 -1.8311 -1.4502 -1.4502 -1.4445 -1.4445 3.4358 3.4358 3.4709 3.4709 4.3071 4.3071 4.3497 4.3497 5.5650 5.5650 5.5803 5.5803 6.0287 6.0287 6.0638 6.0638 8.8349 8.8349 8.9143 8.9143 10.3829 10.3829 10.3976 10.3976 k = 0.5000 0.4387 0.0013 ( 5572 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3897 -5.3897 -5.3788 -5.3788 -5.2522 -5.2522 -5.2410 -5.2410 -1.8340 -1.8340 -1.8284 -1.8284 -1.4535 -1.4535 -1.4483 -1.4483 3.4358 3.4358 3.4686 3.4686 4.3088 4.3088 4.3489 4.3489 5.5609 5.5609 5.5751 5.5751 6.0471 6.0471 6.0798 6.0798 8.8171 8.8171 8.8931 8.8931 10.3425 10.3425 10.3642 10.3642 k = 0.5000 0.4361-0.0112 ( 5574 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3892 -5.3892 -5.3792 -5.3792 -5.2519 -5.2519 -5.2415 -5.2415 -1.8309 -1.8309 -1.8259 -1.8259 -1.4565 -1.4565 -1.4520 -1.4520 3.4365 3.4365 3.4663 3.4663 4.3109 4.3109 4.3473 4.3473 5.5568 5.5568 5.5694 5.5694 6.0653 6.0653 6.0949 6.0949 8.8028 8.8028 8.8731 8.8731 10.3037 10.3037 10.3295 10.3295 k = 0.5000 0.4336-0.0236 ( 5568 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3886 -5.3886 -5.3798 -5.3798 -5.2514 -5.2514 -5.2422 -5.2422 -1.8281 -1.8281 -1.8236 -1.8236 -1.4593 -1.4593 -1.4553 -1.4553 3.4379 3.4379 3.4640 3.4640 4.3132 4.3132 4.3450 4.3450 5.5529 5.5529 5.5636 5.5636 6.0826 6.0826 6.1083 6.1083 8.7920 8.7920 8.8546 8.8546 10.2687 10.2687 10.2955 10.2955 k = 0.5000 0.4310-0.0361 ( 5568 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3879 -5.3879 -5.3805 -5.3805 -5.2507 -5.2507 -5.2430 -5.2430 -1.8254 -1.8254 -1.8217 -1.8217 -1.4616 -1.4616 -1.4584 -1.4584 3.4399 3.4399 3.4615 3.4615 4.3158 4.3158 4.3423 4.3423 5.5495 5.5495 5.5582 5.5582 6.0983 6.0983 6.1196 6.1196 8.7848 8.7848 8.8377 8.8377 10.2391 10.2391 10.2641 10.2641 k = 0.5000 0.4284-0.0486 ( 5568 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3870 -5.3870 -5.3813 -5.3813 -5.2499 -5.2499 -5.2439 -5.2439 -1.8232 -1.8232 -1.8203 -1.8203 -1.4634 -1.4634 -1.4610 -1.4610 3.4422 3.4422 3.4590 3.4590 4.3187 4.3187 4.3392 4.3392 5.5468 5.5468 5.5534 5.5534 6.1118 6.1118 6.1282 6.1282 8.7812 8.7812 8.8225 8.8225 10.2160 10.2160 10.2368 10.2368 k = 0.5000 0.4259-0.0611 ( 5564 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3861 -5.3861 -5.3822 -5.3822 -5.2490 -5.2490 -5.2449 -5.2449 -1.8213 -1.8213 -1.8194 -1.8194 -1.4647 -1.4647 -1.4630 -1.4630 3.4449 3.4449 3.4563 3.4563 4.3219 4.3219 4.3359 4.3359 5.5450 5.5450 5.5495 5.5495 6.1226 6.1226 6.1338 6.1338 8.7809 8.7809 8.8093 8.8093 10.2003 10.2003 10.2152 10.2152 k = 0.5000 0.4233-0.0736 ( 5566 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3851 -5.3851 -5.3831 -5.3831 -5.2480 -5.2480 -5.2459 -5.2459 -1.8200 -1.8200 -1.8190 -1.8190 -1.4653 -1.4653 -1.4644 -1.4644 3.4477 3.4477 3.4535 3.4535 4.3253 4.3253 4.3324 4.3324 5.5444 5.5444 5.5466 5.5466 6.1304 6.1304 6.1361 6.1361 8.7839 8.7839 8.7983 8.7983 10.1923 10.1923 10.2001 10.2001 k = 0.5000 0.4208-0.0860 ( 5564 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3841 -5.3841 -5.3841 -5.3841 -5.2470 -5.2470 -5.2470 -5.2470 -1.8192 -1.8192 -1.8192 -1.8192 -1.4652 -1.4652 -1.4652 -1.4652 3.4506 3.4506 3.4506 3.4506 4.3288 4.3288 4.3288 4.3288 5.5449 5.5449 5.5449 5.5449 6.1350 6.1350 6.1350 6.1350 8.7898 8.7898 8.7898 8.7898 10.1923 10.1923 10.1923 10.1923 k = 0.5000 0.4208-0.0860 ( 5564 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3841 -5.3841 -5.3841 -5.3841 -5.2470 -5.2470 -5.2470 -5.2470 -1.8192 -1.8192 -1.8192 -1.8192 -1.4652 -1.4652 -1.4652 -1.4652 3.4506 3.4506 3.4506 3.4506 4.3288 4.3288 4.3288 4.3288 5.5449 5.5449 5.5449 5.5449 6.1350 6.1350 6.1350 6.1350 8.7898 8.7898 8.7898 8.7898 10.1923 10.1923 10.1923 10.1923 k = 0.4865 0.4208-0.0860 ( 5566 PWs) bands (ev): -20.4745 -20.4745 -20.4740 -20.4740 -7.2592 -7.2592 -7.2584 -7.2584 -5.3869 -5.3869 -5.3810 -5.3810 -5.2493 -5.2493 -5.2448 -5.2448 -1.8839 -1.8839 -1.7528 -1.7528 -1.5357 -1.5357 -1.3945 -1.3945 3.4051 3.4051 3.5003 3.5003 4.2874 4.2874 4.3728 4.3728 5.4955 5.4955 5.5937 5.5937 6.1029 6.1029 6.1654 6.1654 8.7872 8.7872 8.7957 8.7957 10.1435 10.1435 10.2348 10.2348 k = 0.4730 0.4208-0.0860 ( 5564 PWs) bands (ev): -20.4749 -20.4749 -20.4738 -20.4738 -7.2594 -7.2594 -7.2578 -7.2578 -5.3895 -5.3895 -5.3776 -5.3776 -5.2519 -5.2519 -5.2428 -5.2428 -1.9468 -1.9468 -1.6848 -1.6848 -1.6056 -1.6056 -1.3239 -1.3239 3.3641 3.3641 3.5540 3.5540 4.2487 4.2487 4.4193 4.4193 5.4455 5.4455 5.6417 5.6417 6.0696 6.0696 6.1937 6.1937 8.7880 8.7880 8.8050 8.8050 10.0906 10.0906 10.2677 10.2677 k = 0.4595 0.4208-0.0860 ( 5560 PWs) bands (ev): -20.4754 -20.4754 -20.4737 -20.4737 -7.2594 -7.2594 -7.2569 -7.2569 -5.3919 -5.3919 -5.3739 -5.3739 -5.2548 -5.2548 -5.2410 -5.2410 -2.0077 -2.0077 -1.6762 -1.6762 -1.6140 -1.6140 -1.2537 -1.2537 3.3279 3.3279 3.6114 3.6114 4.2128 4.2128 4.4683 4.4683 5.3950 5.3950 5.6889 5.6889 6.0357 6.0357 6.2196 6.2196 8.7920 8.7920 8.8174 8.8174 10.0355 10.0355 10.2874 10.2874 k = 0.4459 0.4208-0.0860 ( 5558 PWs) bands (ev): -20.4759 -20.4759 -20.4737 -20.4737 -7.2592 -7.2592 -7.2560 -7.2560 -5.3943 -5.3943 -5.3698 -5.3698 -5.2579 -5.2579 -5.2391 -5.2391 -2.0667 -2.0667 -1.7446 -1.7446 -1.5429 -1.5429 -1.1841 -1.1841 3.2968 3.2968 3.6723 3.6723 4.1796 4.1796 4.5195 4.5195 5.3440 5.3440 5.7347 5.7347 6.0021 6.0021 6.2427 6.2427 8.7991 8.7991 8.8326 8.8326 9.9797 9.9797 10.2917 10.2917 k = 0.4324 0.4208-0.0860 ( 5566 PWs) bands (ev): -20.4765 -20.4765 -20.4738 -20.4738 -7.2588 -7.2588 -7.2549 -7.2549 -5.3966 -5.3966 -5.3653 -5.3653 -5.2613 -5.2613 -5.2373 -5.2373 -2.1238 -2.1238 -1.8123 -1.8123 -1.4702 -1.4702 -1.1155 -1.1155 3.2710 3.2710 3.7363 3.7363 4.1492 4.1492 4.5730 4.5730 5.2927 5.2927 5.7781 5.7781 5.9700 5.9700 6.2628 6.2628 8.8088 8.8088 8.8501 8.8501 9.9247 9.9247 10.2818 10.2818 k = 0.4189 0.4208-0.0860 ( 5562 PWs) bands (ev): -20.4771 -20.4771 -20.4739 -20.4739 -7.2583 -7.2583 -7.2537 -7.2537 -5.3989 -5.3989 -5.3604 -5.3604 -5.2649 -5.2649 -5.2353 -5.2353 -2.1789 -2.1789 -1.8789 -1.8789 -1.3962 -1.3962 -1.0481 -1.0481 3.2510 3.2510 3.8033 3.8033 4.1216 4.1216 4.6284 4.6284 5.2412 5.2412 5.8159 5.8159 5.9432 5.9432 6.2797 6.2797 8.8208 8.8208 8.8693 8.8693 9.8717 9.8717 10.2619 10.2619 k = 0.4054 0.4208-0.0860 ( 5568 PWs) bands (ev): -20.4779 -20.4779 -20.4741 -20.4741 -7.2577 -7.2577 -7.2524 -7.2524 -5.4015 -5.4015 -5.3552 -5.3552 -5.2687 -5.2687 -5.2331 -5.2331 -2.2320 -2.2320 -1.9441 -1.9441 -1.3210 -1.3210 -0.9823 -0.9823 3.2369 3.2369 3.8729 3.8729 4.0969 4.0969 4.6854 4.6854 5.1899 5.1899 5.8366 5.8366 5.9331 5.9331 6.2936 6.2936 8.8346 8.8346 8.8894 8.8894 9.8220 9.8220 10.2360 10.2360 k = 0.3919 0.4208-0.0860 ( 5564 PWs) bands (ev): -20.4787 -20.4787 -20.4743 -20.4743 -7.2569 -7.2569 -7.2510 -7.2510 -5.4042 -5.4042 -5.3497 -5.3497 -5.2726 -5.2726 -5.2307 -5.2307 -2.2831 -2.2831 -2.0079 -2.0079 -1.2449 -1.2449 -0.9183 -0.9183 3.2291 3.2291 3.9449 3.9449 4.0753 4.0753 4.7435 4.7435 5.1394 5.1394 5.8277 5.8277 5.9524 5.9524 6.3046 6.3046 8.8494 8.8494 8.9095 8.9095 9.7769 9.7769 10.2067 10.2067 k = 0.3784 0.4208-0.0860 ( 5554 PWs) bands (ev): -20.4795 -20.4795 -20.4747 -20.4747 -7.2560 -7.2560 -7.2495 -7.2495 -5.4073 -5.4073 -5.3439 -5.3439 -5.2765 -5.2765 -5.2278 -5.2278 -2.3323 -2.3323 -2.0699 -2.0699 -1.1680 -1.1680 -0.8565 -0.8565 3.2278 3.2278 4.0178 4.0178 4.0578 4.0578 4.8011 4.8011 5.0909 5.0909 5.8028 5.8028 5.9873 5.9873 6.3131 6.3131 8.8643 8.8643 8.9285 8.9285 9.7376 9.7376 10.1756 10.1756 k = 0.3649 0.4208-0.0860 ( 5562 PWs) bands (ev): -20.4804 -20.4804 -20.4751 -20.4751 -7.2549 -7.2549 -7.2480 -7.2480 -5.4107 -5.4107 -5.3382 -5.3382 -5.2803 -5.2803 -5.2245 -5.2245 -2.3797 -2.3797 -2.1302 -2.1302 -1.0906 -1.0906 -0.7971 -0.7971 3.2333 3.2333 4.0385 4.0385 4.0974 4.0974 4.8545 4.8545 5.0484 5.0484 5.7739 5.7739 6.0257 6.0257 6.3198 6.3198 8.8784 8.8784 8.9454 8.9454 9.7051 9.7051 10.1433 10.1433 k = 0.3514 0.4208-0.0860 ( 5566 PWs) bands (ev): -20.4813 -20.4813 -20.4755 -20.4755 -7.2538 -7.2538 -7.2464 -7.2464 -5.4145 -5.4145 -5.3326 -5.3326 -5.2835 -5.2835 -5.2206 -5.2206 -2.4252 -2.4252 -2.1885 -2.1885 -1.0129 -1.0129 -0.7403 -0.7403 3.2457 3.2457 4.0263 4.0263 4.1744 4.1744 4.8894 4.8894 5.0262 5.0262 5.7442 5.7442 6.0633 6.0633 6.3259 6.3259 8.8902 8.8902 8.9597 8.9597 9.6800 9.6800 10.1100 10.1100 k = 0.3378 0.4208-0.0860 ( 5570 PWs) bands (ev): -20.4823 -20.4823 -20.4760 -20.4760 -7.2526 -7.2526 -7.2449 -7.2449 -5.4187 -5.4187 -5.3280 -5.3280 -5.2856 -5.2856 -5.2162 -5.2162 -2.4689 -2.4689 -2.2447 -2.2447 -0.9352 -0.9352 -0.6863 -0.6863 3.2653 3.2653 4.0165 4.0165 4.2531 4.2531 4.8817 4.8817 5.0485 5.0485 5.7150 5.7150 6.0976 6.0976 6.3333 6.3333 8.8981 8.8981 8.9714 8.9714 9.6623 9.6623 10.0753 10.0753 k = 0.3243 0.4208-0.0860 ( 5566 PWs) bands (ev): -20.4833 -20.4833 -20.4765 -20.4765 -7.2514 -7.2514 -7.2433 -7.2433 -5.4234 -5.4234 -5.3250 -5.3250 -5.2858 -5.2858 -5.2112 -5.2112 -2.5110 -2.5110 -2.2988 -2.2988 -0.8579 -0.8579 -0.6352 -0.6352 3.2920 3.2920 4.0097 4.0097 4.3326 4.3326 4.8461 4.8461 5.1006 5.1006 5.6868 5.6868 6.1260 6.1260 6.3447 6.3447 8.9002 8.9002 8.9807 8.9807 9.6510 9.6510 10.0384 10.0384 k = 0.3108 0.4208-0.0860 ( 5568 PWs) bands (ev): -20.4843 -20.4843 -20.4771 -20.4771 -7.2501 -7.2501 -7.2418 -7.2418 -5.4284 -5.4284 -5.3244 -5.3244 -5.2833 -5.2833 -5.2056 -5.2056 -2.5514 -2.5514 -2.3505 -2.3505 -0.7814 -0.7814 -0.5869 -0.5869 3.3259 3.3259 4.0060 4.0060 4.4120 4.4120 4.8035 4.8035 5.1620 5.1620 5.6598 5.6598 6.1457 6.1457 6.3634 6.3634 8.8959 8.8959 8.9880 8.9880 9.6442 9.6442 9.9979 9.9979 k = 0.2973 0.4208-0.0860 ( 5560 PWs) bands (ev): -20.4854 -20.4854 -20.4777 -20.4777 -7.2488 -7.2488 -7.2403 -7.2403 -5.4339 -5.4339 -5.3262 -5.3262 -5.2782 -5.2782 -5.1995 -5.1995 -2.5903 -2.5903 -2.3997 -2.3997 -0.7063 -0.7063 -0.5413 -0.5413 3.3668 3.3668 4.0053 4.0053 4.4897 4.4897 4.7613 4.7613 5.2262 5.2262 5.6345 5.6345 6.1555 6.1555 6.3911 6.3911 8.8853 8.8853 8.9926 8.9926 9.6395 9.6395 9.9514 9.9514 k = 0.2838 0.4208-0.0860 ( 5560 PWs) bands (ev): -20.4864 -20.4864 -20.4783 -20.4783 -7.2474 -7.2474 -7.2389 -7.2389 -5.4397 -5.4397 -5.3295 -5.3295 -5.2713 -5.2713 -5.1929 -5.1929 -2.6278 -2.6278 -2.4464 -2.4464 -0.6338 -0.6338 -0.4975 -0.4975 3.4144 3.4144 4.0080 4.0080 4.5613 4.5613 4.7254 4.7254 5.2909 5.2909 5.6112 5.6112 6.1564 6.1564 6.4278 6.4278 8.8691 8.8691 8.9932 8.9932 9.6339 9.6339 9.8958 9.8958 k = 0.2703 0.4208-0.0860 ( 5556 PWs) bands (ev): -20.4875 -20.4875 -20.4790 -20.4790 -7.2461 -7.2461 -7.2375 -7.2375 -5.4458 -5.4458 -5.3339 -5.3339 -5.2631 -5.2631 -5.1857 -5.1857 -2.6639 -2.6639 -2.4903 -2.4903 -0.5658 -0.5658 -0.4539 -0.4539 3.4682 3.4682 4.0140 4.0140 4.6070 4.6070 4.7163 4.7163 5.3541 5.3541 5.5909 5.5909 6.1508 6.1508 6.4719 6.4719 8.8485 8.8485 8.9883 8.9883 9.6247 9.6247 9.8277 9.8277 k = 0.2568 0.4208-0.0860 ( 5550 PWs) bands (ev): -20.4886 -20.4886 -20.4797 -20.4797 -7.2447 -7.2447 -7.2362 -7.2362 -5.4522 -5.4522 -5.3388 -5.3388 -5.2541 -5.2541 -5.1782 -5.1782 -2.6987 -2.6987 -2.5316 -2.5316 -0.5056 -0.5056 -0.4073 -0.4073 3.5273 3.5273 4.0239 4.0239 4.5993 4.5993 4.7614 4.7614 5.4126 5.4126 5.5763 5.5763 6.1411 6.1411 6.5222 6.5222 8.8242 8.8242 8.9764 8.9764 9.6084 9.6084 9.7468 9.7468 k = 0.2432 0.4208-0.0860 ( 5554 PWs) bands (ev): -20.4896 -20.4896 -20.4803 -20.4803 -7.2434 -7.2434 -7.2350 -7.2350 -5.4586 -5.4586 -5.3439 -5.3439 -5.2446 -5.2446 -5.1704 -5.1704 -2.7324 -2.7324 -2.5700 -2.5700 -0.4570 -0.4570 -0.3543 -0.3543 3.5904 3.5904 4.0381 4.0381 4.5713 4.5713 4.8277 4.8277 5.4573 5.4573 5.5760 5.5760 6.1295 6.1295 6.5776 6.5776 8.7963 8.7963 8.9559 8.9559 9.5760 9.5760 9.6613 9.6613 k = 0.2297 0.4208-0.0860 ( 5558 PWs) bands (ev): -20.4907 -20.4907 -20.4810 -20.4810 -7.2421 -7.2421 -7.2339 -7.2339 -5.4652 -5.4652 -5.3492 -5.3492 -5.2349 -5.2349 -5.1623 -5.1623 -2.7649 -2.7649 -2.6055 -2.6055 -0.4199 -0.4199 -0.2951 -0.2951 3.6553 3.6553 4.0579 4.0579 4.5425 4.5425 4.8957 4.8957 5.4740 5.4740 5.6040 5.6040 6.1179 6.1179 6.6379 6.6379 8.7649 8.7649 8.9255 8.9255 9.5002 9.5002 9.6007 9.6007 k = 0.2162 0.4208-0.0860 ( 5556 PWs) bands (ev): -20.4917 -20.4917 -20.4817 -20.4817 -7.2409 -7.2409 -7.2329 -7.2329 -5.4718 -5.4718 -5.3546 -5.3546 -5.2249 -5.2249 -5.1541 -5.1541 -2.7962 -2.7962 -2.6383 -2.6383 -0.3911 -0.3911 -0.2330 -0.2330 3.7185 3.7185 4.0855 4.0855 4.5175 4.5175 4.9605 4.9605 5.4690 5.4690 5.6531 5.6531 6.1083 6.1083 6.7028 6.7028 8.7296 8.7296 8.8841 8.8841 9.3867 9.3867 9.5622 9.5622 k = 0.2027 0.4208-0.0860 ( 5552 PWs) bands (ev): -20.4928 -20.4928 -20.4824 -20.4824 -7.2397 -7.2397 -7.2321 -7.2321 -5.4783 -5.4783 -5.3598 -5.3598 -5.2149 -5.2149 -5.1457 -5.1457 -2.8262 -2.8262 -2.6683 -2.6683 -0.3680 -0.3680 -0.1707 -0.1707 3.7756 3.7756 4.1238 4.1238 4.4987 4.4987 5.0201 5.0201 5.4568 5.4568 5.7078 5.7078 6.1032 6.1032 6.7722 6.7722 8.6894 8.6894 8.8312 8.8312 9.2588 9.2588 9.5253 9.5253 k = 0.1892 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.4937 -20.4937 -20.4831 -20.4831 -7.2386 -7.2386 -7.2313 -7.2313 -5.4848 -5.4848 -5.3650 -5.3650 -5.2050 -5.2050 -5.1374 -5.1374 -2.8549 -2.8549 -2.6957 -2.6957 -0.3491 -0.3491 -0.1098 -0.1098 3.8217 3.8217 4.1757 4.1757 4.4877 4.4877 5.0731 5.0731 5.4427 5.4427 5.7605 5.7605 6.1057 6.1057 6.8459 6.8459 8.6432 8.6432 8.7669 8.7669 9.1242 9.1242 9.4859 9.4859 k = 0.1757 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.4947 -20.4947 -20.4837 -20.4837 -7.2375 -7.2375 -7.2306 -7.2306 -5.4910 -5.4910 -5.3700 -5.3700 -5.1952 -5.1952 -5.1292 -5.1292 -2.8821 -2.8821 -2.7205 -2.7205 -0.3334 -0.3334 -0.0512 -0.0512 3.8540 3.8540 4.2414 4.2414 4.4870 4.4870 5.1187 5.1187 5.4286 5.4286 5.8063 5.8063 6.1203 6.1203 6.9236 6.9236 8.5884 8.5884 8.6927 8.6927 8.9871 8.9871 9.4433 9.4433 k = 0.1622 0.4208-0.0860 ( 5534 PWs) bands (ev): -20.4956 -20.4956 -20.4843 -20.4843 -7.2365 -7.2365 -7.2300 -7.2300 -5.4970 -5.4970 -5.3748 -5.3748 -5.1856 -5.1856 -5.1212 -5.1212 -2.9079 -2.9079 -2.7429 -2.7429 -0.3205 -0.3205 0.0044 0.0044 3.8733 3.8733 4.3155 4.3155 4.5004 4.5004 5.1565 5.1565 5.4150 5.4150 5.8411 5.8411 6.1509 6.1509 7.0049 7.0049 8.5197 8.5197 8.6127 8.6127 8.8520 8.8520 9.3971 9.3971 k = 0.1486 0.4208-0.0860 ( 5536 PWs) bands (ev): -20.4964 -20.4964 -20.4849 -20.4849 -7.2355 -7.2355 -7.2295 -7.2295 -5.5028 -5.5028 -5.3793 -5.3793 -5.1764 -5.1764 -5.1135 -5.1135 -2.9319 -2.9319 -2.7630 -2.7630 -0.3099 -0.3099 0.0567 0.0567 3.8820 3.8820 4.3852 4.3852 4.5370 4.5370 5.1864 5.1864 5.4023 5.4023 5.8638 5.8638 6.1987 6.1987 7.0894 7.0894 8.4290 8.4290 8.5337 8.5337 8.7241 8.7241 9.3475 9.3475 k = 0.1351 0.4208-0.0860 ( 5536 PWs) bands (ev): -20.4972 -20.4972 -20.4855 -20.4855 -7.2347 -7.2347 -7.2291 -7.2291 -5.5082 -5.5082 -5.3836 -5.3836 -5.1675 -5.1675 -5.1062 -5.1062 -2.9542 -2.9542 -2.7810 -2.7810 -0.3012 -0.3012 0.1053 0.1053 3.8832 3.8832 4.4368 4.4368 4.6066 4.6066 5.2093 5.2093 5.3904 5.3904 5.8770 5.8770 6.2608 6.2608 7.1763 7.1763 8.3145 8.3145 8.4572 8.4572 8.6076 8.6076 9.2944 9.2944 k = 0.1216 0.4208-0.0860 ( 5538 PWs) bands (ev): -20.4980 -20.4980 -20.4860 -20.4860 -7.2339 -7.2339 -7.2288 -7.2288 -5.5132 -5.5132 -5.3875 -5.3875 -5.1593 -5.1593 -5.0993 -5.0993 -2.9746 -2.9746 -2.7969 -2.7969 -0.2942 -0.2942 0.1499 0.1499 3.8793 3.8793 4.4736 4.4736 4.7014 4.7014 5.2262 5.2262 5.3792 5.3792 5.8842 5.8842 6.3328 6.3328 7.2645 7.2645 8.1829 8.1829 8.3794 8.3794 8.5048 8.5048 9.2379 9.2379 k = 0.1081 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.4986 -20.4986 -20.4865 -20.4865 -7.2331 -7.2331 -7.2286 -7.2286 -5.5178 -5.5178 -5.3911 -5.3911 -5.1516 -5.1516 -5.0929 -5.0929 -2.9931 -2.9931 -2.8110 -2.8110 -0.2886 -0.2886 0.1904 0.1904 3.8722 3.8722 4.5052 4.5052 4.8077 4.8077 5.2388 5.2388 5.3688 5.3688 5.8884 5.8884 6.4110 6.4110 7.3528 7.3528 8.0423 8.0423 8.2985 8.2985 8.4147 8.4147 9.1782 9.1782 k = 0.0946 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.4992 -20.4992 -20.4869 -20.4869 -7.2325 -7.2325 -7.2284 -7.2284 -5.5219 -5.5219 -5.3944 -5.3944 -5.1446 -5.1446 -5.0871 -5.0871 -3.0095 -3.0095 -2.8232 -2.8232 -0.2841 -0.2841 0.2265 0.2265 3.8634 3.8634 4.5353 4.5353 4.9169 4.9169 5.2492 5.2492 5.3591 5.3591 5.8912 5.8912 6.4925 6.4925 7.4385 7.4385 7.9001 7.9001 8.2166 8.2166 8.3346 8.3346 9.1159 9.1159 k = 0.0811 0.4208-0.0860 ( 5544 PWs) bands (ev): -20.4998 -20.4998 -20.4873 -20.4873 -7.2319 -7.2319 -7.2283 -7.2283 -5.5255 -5.5255 -5.3972 -5.3972 -5.1383 -5.1383 -5.0819 -5.0819 -3.0239 -3.0239 -2.8336 -2.8336 -0.2807 -0.2807 0.2581 0.2581 3.8541 3.8541 4.5646 4.5646 5.0218 5.0218 5.2606 5.2606 5.3509 5.3509 5.8934 5.8934 6.5746 6.5746 7.5143 7.5143 7.7667 7.7667 8.1374 8.1374 8.2619 8.2619 9.0519 9.0519 k = 0.0676 0.4208-0.0860 ( 5546 PWs) bands (ev): -20.5002 -20.5002 -20.4877 -20.4877 -7.2314 -7.2314 -7.2282 -7.2282 -5.5287 -5.5287 -5.3996 -5.3996 -5.1329 -5.1329 -5.0775 -5.0775 -3.0361 -3.0361 -2.8423 -2.8423 -0.2781 -0.2781 0.2850 0.2850 3.8451 3.8451 4.5921 4.5921 5.1119 5.1119 5.2775 5.2775 5.3474 5.3474 5.8955 5.8955 6.6553 6.6553 7.5369 7.5369 7.6873 7.6873 8.0645 8.0645 8.1959 8.1959 8.9878 8.9878 k = 0.0541 0.4208-0.0860 ( 5546 PWs) bands (ev): -20.5006 -20.5006 -20.4879 -20.4879 -7.2309 -7.2309 -7.2282 -7.2282 -5.5312 -5.5312 -5.4017 -5.4017 -5.1284 -5.1284 -5.0738 -5.0738 -3.0462 -3.0462 -2.8494 -2.8494 -0.2761 -0.2761 0.3072 0.3072 3.8370 3.8370 4.6170 4.6170 5.1718 5.1718 5.2966 5.2966 5.3641 5.3641 5.8976 5.8976 6.7321 6.7321 7.4492 7.4492 7.7192 7.7192 8.0021 8.0021 8.1375 8.1375 8.9259 8.9259 k = 0.0405 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.5009 -20.5009 -20.4882 -20.4882 -7.2306 -7.2306 -7.2282 -7.2282 -5.5333 -5.5333 -5.4033 -5.4033 -5.1248 -5.1248 -5.0709 -5.0709 -3.0540 -3.0540 -2.8548 -2.8548 -0.2747 -0.2747 0.3245 0.3245 3.8303 3.8303 4.6379 4.6379 5.2005 5.2005 5.3001 5.3001 5.4157 5.4157 5.8998 5.8998 6.8024 6.8024 7.3421 7.3421 7.7691 7.7691 7.9566 7.9566 8.0882 8.0882 8.8695 8.8695 k = 0.0270 0.4208-0.0860 ( 5544 PWs) bands (ev): -20.5011 -20.5011 -20.4883 -20.4883 -7.2303 -7.2303 -7.2283 -7.2283 -5.5347 -5.5347 -5.4044 -5.4044 -5.1222 -5.1222 -5.0688 -5.0688 -3.0596 -3.0596 -2.8587 -2.8587 -0.2738 -0.2738 0.3369 0.3369 3.8253 3.8253 4.6537 4.6537 5.2135 5.2135 5.2960 5.2960 5.4733 5.4733 5.9019 5.9019 6.8628 6.8628 7.2492 7.2492 7.7972 7.7972 7.9384 7.9384 8.0500 8.0500 8.8230 8.8230 k = 0.0135 0.4208-0.0860 ( 5540 PWs) bands (ev): -20.5012 -20.5012 -20.4884 -20.4884 -7.2301 -7.2301 -7.2283 -7.2283 -5.5356 -5.5356 -5.4051 -5.4051 -5.1207 -5.1207 -5.0675 -5.0675 -3.0630 -3.0630 -2.8610 -2.8610 -0.2732 -0.2732 0.3443 0.3443 3.8222 3.8222 4.6636 4.6636 5.2196 5.2196 5.2920 5.2920 5.5144 5.5144 5.9036 5.9036 6.9080 6.9080 7.1825 7.1825 7.7998 7.7998 7.9454 7.9454 8.0244 8.0244 8.7918 8.7918 k = 0.0000 0.4208-0.0860 ( 5544 PWs) bands (ev): -20.5013 -20.5013 -20.4884 -20.4884 -7.2300 -7.2300 -7.2283 -7.2283 -5.5359 -5.5359 -5.4053 -5.4053 -5.1202 -5.1202 -5.0671 -5.0671 -3.0641 -3.0641 -2.8618 -2.8618 -0.2731 -0.2731 0.3468 0.3468 3.8212 3.8212 4.6670 4.6670 5.2215 5.2215 5.2903 5.2903 5.5291 5.5291 5.9042 5.9042 6.9264 6.9264 7.1566 7.1566 7.7974 7.7974 7.9525 7.9525 8.0148 8.0148 8.7807 8.7807 k = 0.0000 0.4208-0.0860 ( 5544 PWs) bands (ev): -20.5013 -20.5013 -20.4884 -20.4884 -7.2300 -7.2300 -7.2283 -7.2283 -5.5359 -5.5359 -5.4053 -5.4053 -5.1202 -5.1202 -5.0671 -5.0671 -3.0641 -3.0641 -2.8618 -2.8618 -0.2731 -0.2731 0.3468 0.3468 3.8212 3.8212 4.6670 4.6670 5.2215 5.2215 5.2903 5.2903 5.5291 5.5291 5.9042 5.9042 6.9264 6.9264 7.1566 7.1566 7.7974 7.7974 7.9525 7.9525 8.0148 8.0148 8.7807 8.7807 k = 0.0000 0.4233-0.0736 ( 5541 PWs) bands (ev): -20.5013 -20.5013 -20.4884 -20.4884 -7.2302 -7.2302 -7.2281 -7.2281 -5.5358 -5.5358 -5.4055 -5.4055 -5.1202 -5.1202 -5.0670 -5.0670 -3.0639 -3.0639 -2.8620 -2.8620 -0.2726 -0.2726 0.3467 0.3467 3.8201 3.8201 4.6675 4.6675 5.2067 5.2067 5.2989 5.2989 5.5300 5.5300 5.9119 5.9119 6.9240 6.9240 7.1607 7.1607 7.7981 7.7981 7.9423 7.9423 8.0234 8.0234 8.7806 8.7806 k = 0.0000 0.4259-0.0611 ( 5539 PWs) bands (ev): -20.5013 -20.5013 -20.4884 -20.4884 -7.2307 -7.2307 -7.2276 -7.2276 -5.5353 -5.5353 -5.4059 -5.4059 -5.1205 -5.1205 -5.0669 -5.0669 -3.0633 -3.0633 -2.8628 -2.8628 -0.2714 -0.2714 0.3466 0.3466 3.8169 3.8169 4.6688 4.6688 5.1722 5.1722 5.3159 5.3159 5.5321 5.5321 5.9339 5.9339 6.9171 6.9171 7.1727 7.1727 7.7993 7.7993 7.9213 7.9213 8.0408 8.0408 8.7802 8.7802 k = 0.0000 0.4284-0.0486 ( 5541 PWs) bands (ev): -20.5013 -20.5013 -20.4885 -20.4885 -7.2312 -7.2312 -7.2270 -7.2270 -5.5346 -5.5346 -5.4067 -5.4067 -5.1209 -5.1209 -5.0666 -5.0666 -3.0622 -3.0622 -2.8642 -2.8642 -0.2694 -0.2694 0.3463 0.3463 3.8120 3.8120 4.6708 4.6708 5.1274 5.1274 5.3354 5.3354 5.5347 5.5347 5.9677 5.9677 6.9067 6.9067 7.1915 7.1915 7.7975 7.7975 7.9006 7.9006 8.0596 8.0596 8.7795 8.7795 k = 0.0000 0.4310-0.0361 ( 5540 PWs) bands (ev): -20.5012 -20.5012 -20.4885 -20.4885 -7.2318 -7.2318 -7.2263 -7.2263 -5.5335 -5.5335 -5.4078 -5.4078 -5.1214 -5.1214 -5.0663 -5.0663 -3.0607 -3.0607 -2.8660 -2.8660 -0.2667 -0.2667 0.3458 0.3458 3.8058 3.8058 4.6730 4.6730 5.0768 5.0768 5.3559 5.3559 5.5379 5.5379 6.0101 6.0101 6.8935 6.8935 7.2163 7.2163 7.7860 7.7860 7.8891 7.8891 8.0780 8.0780 8.7783 8.7783 k = 0.0000 0.4336-0.0236 ( 5544 PWs) bands (ev): -20.5012 -20.5012 -20.4885 -20.4885 -7.2323 -7.2323 -7.2256 -7.2256 -5.5322 -5.5322 -5.4092 -5.4092 -5.1220 -5.1220 -5.0660 -5.0660 -3.0589 -3.0589 -2.8683 -2.8683 -0.2632 -0.2632 0.3452 0.3452 3.7989 3.7989 4.6747 4.6747 5.0234 5.0234 5.3758 5.3758 5.5430 5.5430 6.0577 6.0577 6.8782 6.8782 7.2461 7.2461 7.7615 7.7615 7.8911 7.8911 8.0960 8.0960 8.7764 8.7764 k = 0.0000 0.4361-0.0112 ( 5538 PWs) bands (ev): -20.5012 -20.5012 -20.4885 -20.4885 -7.2328 -7.2328 -7.2249 -7.2249 -5.5305 -5.5305 -5.4109 -5.4109 -5.1226 -5.1226 -5.0656 -5.0656 -3.0566 -3.0566 -2.8712 -2.8712 -0.2590 -0.2590 0.3443 0.3443 3.7918 3.7918 4.6749 4.6749 4.9702 4.9702 5.3926 5.3926 5.5531 5.5531 6.1078 6.1078 6.8612 6.8612 7.2799 7.2799 7.7280 7.7280 7.9028 7.9028 8.1138 8.1138 8.7736 8.7736 k = 0.0000 0.4387 0.0013 ( 5526 PWs) bands (ev): -20.5012 -20.5012 -20.4885 -20.4885 -7.2333 -7.2333 -7.2242 -7.2242 -5.5286 -5.5286 -5.4129 -5.4129 -5.1232 -5.1232 -5.0653 -5.0653 -3.0540 -3.0540 -2.8745 -2.8745 -0.2543 -0.2543 0.3432 0.3432 3.7854 3.7854 4.6718 4.6718 4.9201 4.9201 5.4031 5.4031 5.5710 5.5710 6.1584 6.1584 6.8428 6.8428 7.3164 7.3164 7.6910 7.6910 7.9195 7.9195 8.1320 8.1320 8.7695 8.7695 k = 0.0000 0.4412 0.0138 ( 5526 PWs) bands (ev): -20.5012 -20.5012 -20.4886 -20.4886 -7.2337 -7.2337 -7.2235 -7.2235 -5.5264 -5.5264 -5.4152 -5.4152 -5.1238 -5.1238 -5.0650 -5.0650 -3.0510 -3.0510 -2.8782 -2.8782 -0.2491 -0.2491 0.3417 0.3417 3.7802 3.7802 4.6627 4.6627 4.8767 4.8767 5.4061 5.4061 5.5979 5.5979 6.2077 6.2077 6.8230 6.8230 7.3536 7.3536 7.6545 7.6545 7.9382 7.9382 8.1514 8.1514 8.7641 8.7641 k = 0.0000 0.4438 0.0263 ( 5526 PWs) bands (ev): -20.5011 -20.5011 -20.4886 -20.4886 -7.2342 -7.2342 -7.2228 -7.2228 -5.5240 -5.5240 -5.4178 -5.4178 -5.1242 -5.1242 -5.0648 -5.0648 -3.0478 -3.0478 -2.8824 -2.8824 -0.2435 -0.2435 0.3400 0.3400 3.7768 3.7768 4.6443 4.6443 4.8441 4.8441 5.4029 5.4029 5.6323 5.6323 6.2546 6.2546 6.8019 6.8019 7.3874 7.3874 7.6235 7.6235 7.9570 7.9570 8.1727 8.1727 8.7573 8.7573 k = 0.0000 0.4463 0.0387 ( 5521 PWs) bands (ev): -20.5011 -20.5011 -20.4886 -20.4886 -7.2346 -7.2346 -7.2222 -7.2222 -5.5214 -5.5214 -5.4206 -5.4206 -5.1247 -5.1247 -5.0646 -5.0646 -3.0443 -3.0443 -2.8869 -2.8869 -0.2375 -0.2375 0.3379 0.3379 3.7756 3.7756 4.6153 4.6153 4.8240 4.8240 5.3953 5.3953 5.6718 5.6718 6.2983 6.2983 6.7794 6.7794 7.4100 7.4100 7.6062 7.6062 7.9744 7.9744 8.1963 8.1963 8.7490 8.7490 k = 0.0000 0.4489 0.0512 ( 5519 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2349 -7.2349 -7.2215 -7.2215 -5.5185 -5.5185 -5.4236 -5.4236 -5.1250 -5.1250 -5.0644 -5.0644 -3.0405 -3.0405 -2.8918 -2.8918 -0.2314 -0.2314 0.3355 0.3355 3.7773 3.7773 4.5781 4.5781 4.8144 4.8144 5.3853 5.3853 5.7140 5.7140 6.3380 6.3380 6.7556 6.7556 7.4122 7.4122 7.6116 7.6116 7.9890 7.9890 8.2223 8.2223 8.7394 8.7394 k = 0.0000 0.4514 0.0637 ( 5521 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2353 -7.2353 -7.2209 -7.2209 -5.5154 -5.5154 -5.4268 -5.4268 -5.1253 -5.1253 -5.0642 -5.0642 -3.0365 -3.0365 -2.8971 -2.8971 -0.2251 -0.2251 0.3327 0.3327 3.7820 3.7820 4.5367 4.5367 4.8117 4.8117 5.3741 5.3741 5.7572 5.7572 6.3732 6.3732 6.7308 6.7308 7.3954 7.3954 7.6378 7.6378 8.0000 8.0000 8.2499 8.2499 8.7291 8.7291 k = 0.5000 0.3902 0.2358 ( 5576 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2588 -7.2588 -5.3895 -5.3895 -5.3795 -5.3795 -5.2511 -5.2511 -5.2410 -5.2410 -1.8484 -1.8484 -1.8418 -1.8418 -1.4376 -1.4376 -1.4303 -1.4303 3.4460 3.4460 3.4819 3.4819 4.3008 4.3008 4.3431 4.3431 5.5753 5.5753 5.5898 5.5898 5.9673 5.9673 6.0027 6.0027 8.9333 8.9333 9.0057 9.0057 10.4942 10.4942 10.5133 10.5133 k = 0.5000 0.3767 0.2358 ( 5576 PWs) bands (ev): -20.4743 -20.4743 -20.4743 -20.4743 -7.2588 -7.2588 -7.2587 -7.2587 -5.3894 -5.3894 -5.3805 -5.3805 -5.2498 -5.2498 -5.2412 -5.2412 -1.8450 -1.8450 -1.8371 -1.8371 -1.4427 -1.4427 -1.4329 -1.4329 3.4469 3.4469 3.4839 3.4839 4.3163 4.3163 4.3574 4.3574 5.5835 5.5835 5.5937 5.5937 5.9518 5.9518 5.9891 5.9891 8.9183 8.9183 8.9877 8.9877 10.5117 10.5117 10.5482 10.5482 k = 0.5000 0.3633 0.2358 ( 5566 PWs) bands (ev): -20.4743 -20.4743 -20.4743 -20.4743 -7.2587 -7.2587 -7.2586 -7.2586 -5.3893 -5.3893 -5.3816 -5.3816 -5.2484 -5.2484 -5.2412 -5.2412 -1.8405 -1.8405 -1.8313 -1.8313 -1.4489 -1.4489 -1.4366 -1.4366 3.4517 3.4517 3.4897 3.4897 4.3321 4.3321 4.3714 4.3714 5.5913 5.5913 5.5974 5.5974 5.9350 5.9350 5.9747 5.9747 8.9040 8.9040 8.9705 8.9705 10.5014 10.5014 10.5556 10.5556 k = 0.5000 0.3498 0.2358 ( 5566 PWs) bands (ev): -20.4744 -20.4744 -20.4744 -20.4744 -7.2585 -7.2585 -7.2585 -7.2585 -5.3893 -5.3893 -5.3828 -5.3828 -5.2468 -5.2468 -5.2411 -5.2411 -1.8348 -1.8348 -1.8243 -1.8243 -1.4561 -1.4561 -1.4415 -1.4415 3.4605 3.4605 3.4994 3.4994 4.3479 4.3479 4.3851 4.3851 5.5985 5.5985 5.6004 5.6004 5.9171 5.9171 5.9597 5.9597 8.8912 8.8912 8.9550 8.9550 10.4570 10.4570 10.5162 10.5162 k = 0.5000 0.3364 0.2358 ( 5564 PWs) bands (ev): -20.4745 -20.4745 -20.4745 -20.4745 -7.2583 -7.2583 -7.2583 -7.2583 -5.3894 -5.3894 -5.3841 -5.3841 -5.2451 -5.2451 -5.2409 -5.2409 -1.8280 -1.8280 -1.8164 -1.8164 -1.4642 -1.4642 -1.4474 -1.4474 3.4731 3.4731 3.5128 3.5128 4.3639 4.3639 4.3983 4.3983 5.6028 5.6028 5.6050 5.6050 5.8985 5.8985 5.9444 5.9444 8.8806 8.8806 8.9420 8.9420 10.3846 10.3846 10.4420 10.4420 k = 0.5000 0.3229 0.2358 ( 5564 PWs) bands (ev): -20.4746 -20.4746 -20.4746 -20.4746 -7.2581 -7.2581 -7.2581 -7.2581 -5.3896 -5.3896 -5.3855 -5.3855 -5.2431 -5.2431 -5.2404 -5.2404 -1.8202 -1.8202 -1.8076 -1.8076 -1.4731 -1.4731 -1.4543 -1.4543 3.4893 3.4893 3.5299 3.5299 4.3799 4.3799 4.4110 4.4110 5.6042 5.6042 5.6106 5.6106 5.8795 5.8795 5.9293 5.9293 8.8725 8.8725 8.9317 8.9317 10.2941 10.2941 10.3506 10.3506 k = 0.5000 0.3095 0.2358 ( 5564 PWs) bands (ev): -20.4747 -20.4747 -20.4747 -20.4747 -7.2579 -7.2579 -7.2579 -7.2579 -5.3899 -5.3899 -5.3871 -5.3871 -5.2409 -5.2409 -5.2397 -5.2397 -1.8116 -1.8116 -1.7981 -1.7981 -1.4826 -1.4826 -1.4620 -1.4620 3.5089 3.5089 3.5502 3.5502 4.3960 4.3960 4.4232 4.4232 5.6046 5.6046 5.6151 5.6151 5.8604 5.8604 5.9147 5.9147 8.8668 8.8668 8.9243 8.9243 10.1931 10.1931 10.2505 10.2505 k = 0.5000 0.2960 0.2358 ( 5564 PWs) bands (ev): -20.4748 -20.4748 -20.4748 -20.4748 -7.2577 -7.2577 -7.2577 -7.2577 -5.3905 -5.3905 -5.3888 -5.3888 -5.2388 -5.2388 -5.2386 -5.2386 -1.8022 -1.8022 -1.7878 -1.7878 -1.4927 -1.4927 -1.4706 -1.4706 3.5318 3.5318 3.5738 3.5738 4.4122 4.4122 4.4349 4.4349 5.6038 5.6038 5.6182 5.6182 5.8418 5.8418 5.9012 5.9012 8.8632 8.8632 8.9192 8.9192 10.0867 10.0867 10.1463 10.1463 k = 0.5000 0.2825 0.2358 ( 5564 PWs) bands (ev): -20.4750 -20.4750 -20.4750 -20.4750 -7.2574 -7.2574 -7.2574 -7.2574 -5.3912 -5.3912 -5.3907 -5.3907 -5.2375 -5.2375 -5.2360 -5.2360 -1.7921 -1.7921 -1.7772 -1.7772 -1.5032 -1.5032 -1.4797 -1.4797 3.5576 3.5576 3.6001 3.6001 4.4284 4.4284 4.4460 4.4460 5.6016 5.6016 5.6197 5.6197 5.8239 5.8239 5.8894 5.8894 8.8605 8.8605 8.9157 8.9157 9.9790 9.9790 10.0411 10.0411 k = 0.5000 0.2691 0.2358 ( 5562 PWs) bands (ev): -20.4751 -20.4751 -20.4751 -20.4751 -7.2572 -7.2572 -7.2572 -7.2572 -5.3927 -5.3927 -5.3922 -5.3922 -5.2359 -5.2359 -5.2331 -5.2331 -1.7816 -1.7816 -1.7662 -1.7662 -1.5138 -1.5138 -1.4894 -1.4894 3.5860 3.5860 3.6289 3.6289 4.4447 4.4447 4.4566 4.4566 5.5981 5.5981 5.6192 5.6192 5.8072 5.8072 5.8797 5.8797 8.8573 8.8573 8.9125 8.9125 9.8735 9.8735 9.9379 9.9379 k = 0.5000 0.2556 0.2358 ( 5560 PWs) bands (ev): -20.4753 -20.4753 -20.4753 -20.4753 -7.2569 -7.2569 -7.2569 -7.2569 -5.3948 -5.3948 -5.3934 -5.3934 -5.2340 -5.2340 -5.2301 -5.2301 -1.7708 -1.7708 -1.7551 -1.7551 -1.5245 -1.5245 -1.4993 -1.4993 3.6166 3.6166 3.6597 3.6597 4.4613 4.4613 4.4669 4.4669 5.5930 5.5930 5.6167 5.6167 5.7922 5.7922 5.8725 5.8725 8.8510 8.8510 8.9075 8.9075 9.7741 9.7741 9.8397 9.8397 k = 0.5000 0.2422 0.2358 ( 5556 PWs) bands (ev): -20.4754 -20.4754 -20.4754 -20.4754 -7.2567 -7.2567 -7.2566 -7.2566 -5.3971 -5.3971 -5.3949 -5.3949 -5.2317 -5.2317 -5.2268 -5.2268 -1.7600 -1.7600 -1.7443 -1.7443 -1.5348 -1.5348 -1.5094 -1.5094 3.6490 3.6490 3.6920 3.6920 4.4770 4.4770 4.4784 4.4784 5.5864 5.5864 5.6120 5.6120 5.7792 5.7792 5.8683 5.8683 8.8384 8.8384 8.8978 8.8978 9.6849 9.6849 9.7500 9.7500 k = 0.5000 0.2287 0.2358 ( 5558 PWs) bands (ev): -20.4756 -20.4756 -20.4756 -20.4756 -7.2564 -7.2564 -7.2564 -7.2564 -5.3995 -5.3995 -5.3965 -5.3965 -5.2292 -5.2292 -5.2233 -5.2233 -1.7492 -1.7492 -1.7339 -1.7339 -1.5445 -1.5445 -1.5193 -1.5193 3.6827 3.6827 3.7253 3.7253 4.4873 4.4873 4.4961 4.4961 5.5784 5.5784 5.6052 5.6052 5.7683 5.7683 5.8669 5.8669 8.8154 8.8154 8.8799 8.8799 9.6106 9.6106 9.6727 9.6727 k = 0.5000 0.2153 0.2358 ( 5564 PWs) bands (ev): -20.4757 -20.4757 -20.4757 -20.4757 -7.2562 -7.2562 -7.2561 -7.2561 -5.4019 -5.4019 -5.3984 -5.3984 -5.2263 -5.2263 -5.2198 -5.2198 -1.7389 -1.7389 -1.7245 -1.7245 -1.5533 -1.5533 -1.5289 -1.5289 3.7172 3.7172 3.7590 3.7590 4.4981 4.4981 4.5147 4.5147 5.5691 5.5691 5.5967 5.5967 5.7597 5.7597 5.8684 5.8684 8.7784 8.7784 8.8499 8.8499 9.5553 9.5553 9.6117 9.6117 k = 0.5000 0.2018 0.2358 ( 5570 PWs) bands (ev): -20.4759 -20.4759 -20.4759 -20.4759 -7.2559 -7.2559 -7.2559 -7.2559 -5.4044 -5.4044 -5.4004 -5.4004 -5.2231 -5.2231 -5.2161 -5.2161 -1.7294 -1.7294 -1.7163 -1.7163 -1.5608 -1.5608 -1.5377 -1.5377 3.7517 3.7517 3.7923 3.7923 4.5098 4.5098 4.5346 4.5346 5.5590 5.5590 5.5867 5.5867 5.7532 5.7532 5.8721 5.8721 8.7257 8.7257 8.8055 8.8055 9.5208 9.5208 9.5695 9.5695 k = 0.5000 0.1884 0.2358 ( 5572 PWs) bands (ev): -20.4760 -20.4760 -20.4760 -20.4760 -7.2557 -7.2557 -7.2556 -7.2556 -5.4069 -5.4069 -5.4026 -5.4026 -5.2197 -5.2197 -5.2123 -5.2123 -1.7209 -1.7209 -1.7098 -1.7098 -1.5664 -1.5664 -1.5455 -1.5455 3.7857 3.7857 3.8246 3.8246 4.5228 4.5228 4.5560 4.5560 5.5482 5.5482 5.5757 5.5757 5.7488 5.7488 5.8778 5.8778 8.6583 8.6583 8.7464 8.7464 9.5063 9.5063 9.5457 9.5457 k = 0.5000 0.1749 0.2358 ( 5578 PWs) bands (ev): -20.4762 -20.4762 -20.4762 -20.4762 -7.2555 -7.2555 -7.2554 -7.2554 -5.4094 -5.4094 -5.4049 -5.4049 -5.2162 -5.2162 -5.2085 -5.2085 -1.7140 -1.7140 -1.7055 -1.7055 -1.5699 -1.5699 -1.5519 -1.5519 3.8185 3.8185 3.8552 3.8552 4.5377 4.5377 4.5793 4.5793 5.5372 5.5372 5.5642 5.5642 5.7461 5.7461 5.8846 5.8846 8.5798 8.5798 8.6751 8.6751 9.5081 9.5081 9.5370 9.5371 k = 0.5000 0.1615 0.2358 ( 5580 PWs) bands (ev): -20.4764 -20.4764 -20.4763 -20.4763 -7.2553 -7.2553 -7.2552 -7.2552 -5.4118 -5.4118 -5.4072 -5.4072 -5.2125 -5.2125 -5.2048 -5.2048 -1.7089 -1.7089 -1.7034 -1.7034 -1.5710 -1.5710 -1.5564 -1.5564 3.8495 3.8495 3.8835 3.8835 4.5548 4.5548 4.6046 4.6046 5.5263 5.5263 5.5525 5.5525 5.7450 5.7450 5.8921 5.8921 8.4943 8.4943 8.5950 8.5950 9.5219 9.5219 9.5379 9.5379 k = 0.5000 0.1480 0.2358 ( 5572 PWs) bands (ev): -20.4765 -20.4765 -20.4765 -20.4765 -7.2551 -7.2551 -7.2550 -7.2550 -5.4142 -5.4142 -5.4096 -5.4096 -5.2088 -5.2088 -5.2012 -5.2012 -1.7058 -1.7058 -1.7036 -1.7036 -1.5698 -1.5698 -1.5590 -1.5590 3.8780 3.8780 3.9090 3.9090 4.5745 4.5745 4.6319 4.6319 5.5158 5.5158 5.5410 5.5410 5.7453 5.7453 5.8996 5.8996 8.4057 8.4057 8.5101 8.5101 9.5403 9.5403 9.5426 9.5426 k = 0.5000 0.1345 0.2358 ( 5568 PWs) bands (ev): -20.4766 -20.4766 -20.4766 -20.4766 -7.2550 -7.2550 -7.2549 -7.2549 -5.4164 -5.4164 -5.4119 -5.4119 -5.2050 -5.2050 -5.1977 -5.1977 -1.7057 -1.7057 -1.7048 -1.7048 -1.5668 -1.5668 -1.5595 -1.5595 3.9036 3.9036 3.9314 3.9314 4.5969 4.5969 4.6610 4.6610 5.5059 5.5059 5.5298 5.5298 5.7470 5.7470 5.9065 5.9065 8.3173 8.3173 8.4234 8.4234 9.5340 9.5340 9.5639 9.5639 k = 0.5000 0.1211 0.2358 ( 5564 PWs) bands (ev): -20.4768 -20.4768 -20.4768 -20.4768 -7.2548 -7.2548 -7.2547 -7.2547 -5.4185 -5.4185 -5.4142 -5.4142 -5.2014 -5.2014 -5.1944 -5.1944 -1.7090 -1.7090 -1.7057 -1.7057 -1.5625 -1.5625 -1.5582 -1.5582 3.9260 3.9260 3.9505 3.9505 4.6219 4.6219 4.6913 4.6913 5.4968 5.4968 5.5193 5.5193 5.7499 5.7499 5.9121 5.9121 8.2317 8.2317 8.3374 8.3374 9.5123 9.5123 9.5738 9.5738 k = 0.5000 0.1076 0.2358 ( 5562 PWs) bands (ev): -20.4769 -20.4769 -20.4769 -20.4769 -7.2547 -7.2547 -7.2546 -7.2546 -5.4204 -5.4204 -5.4164 -5.4164 -5.1979 -5.1979 -5.1914 -5.1914 -1.7131 -1.7131 -1.7081 -1.7081 -1.5575 -1.5575 -1.5555 -1.5555 3.9451 3.9451 3.9664 3.9664 4.6493 4.6493 4.7221 4.7221 5.4887 5.4887 5.5095 5.5095 5.7541 5.7541 5.9158 5.9158 8.1510 8.1510 8.2542 8.2542 9.4798 9.4798 9.5568 9.5568 k = 0.5000 0.0942 0.2358 ( 5568 PWs) bands (ev): -20.4770 -20.4770 -20.4770 -20.4770 -7.2545 -7.2545 -7.2545 -7.2545 -5.4221 -5.4221 -5.4185 -5.4185 -5.1946 -5.1946 -5.1886 -5.1886 -1.7174 -1.7174 -1.7116 -1.7116 -1.5523 -1.5523 -1.5519 -1.5519 3.9611 3.9611 3.9792 3.9792 4.6784 4.6784 4.7522 4.7522 5.4815 5.4815 5.5005 5.5005 5.7597 5.7597 5.9171 5.9171 8.0771 8.0771 8.1754 8.1754 9.4444 9.4444 9.5195 9.5195 k = 0.5000 0.0807 0.2358 ( 5576 PWs) bands (ev): -20.4771 -20.4771 -20.4771 -20.4771 -7.2544 -7.2544 -7.2544 -7.2544 -5.4236 -5.4236 -5.4203 -5.4203 -5.1915 -5.1915 -5.1862 -5.1862 -1.7215 -1.7215 -1.7155 -1.7155 -1.5479 -1.5479 -1.5472 -1.5472 3.9741 3.9741 3.9892 3.9892 4.7084 4.7084 4.7804 4.7804 5.4755 5.4755 5.4924 5.4924 5.7669 5.7669 5.9155 5.9155 8.0115 8.0115 8.1025 8.1025 9.4109 9.4109 9.4777 9.4777 k = 0.5000 0.0673 0.2358 ( 5574 PWs) bands (ev): -20.4772 -20.4772 -20.4772 -20.4772 -7.2544 -7.2544 -7.2543 -7.2543 -5.4248 -5.4248 -5.4220 -5.4220 -5.1887 -5.1887 -5.1842 -5.1842 -1.7253 -1.7253 -1.7196 -1.7196 -1.5438 -1.5438 -1.5425 -1.5425 3.9845 3.9845 3.9967 3.9967 4.7383 4.7383 4.8054 4.8054 5.4707 5.4707 5.4853 5.4853 5.7758 5.7758 5.9109 5.9109 7.9555 7.9555 8.0367 8.0367 9.3818 9.3818 9.4384 9.4384 k = 0.5000 0.0538 0.2358 ( 5568 PWs) bands (ev): -20.4772 -20.4772 -20.4772 -20.4772 -7.2543 -7.2543 -7.2542 -7.2542 -5.4258 -5.4258 -5.4235 -5.4235 -5.1863 -5.1863 -5.1826 -5.1826 -1.7285 -1.7285 -1.7234 -1.7234 -1.5400 -1.5400 -1.5386 -1.5386 3.9925 3.9925 4.0022 4.0022 4.7668 4.7668 4.8259 4.8259 5.4671 5.4671 5.4792 5.4792 5.7867 5.7867 5.9030 5.9030 7.9102 7.9102 7.9791 7.9791 9.3582 9.3582 9.4038 9.4038 k = 0.5000 0.0404 0.2358 ( 5562 PWs) bands (ev): -20.4773 -20.4773 -20.4773 -20.4773 -7.2542 -7.2542 -7.2542 -7.2542 -5.4265 -5.4265 -5.4248 -5.4248 -5.1842 -5.1842 -5.1814 -5.1814 -1.7309 -1.7309 -1.7269 -1.7269 -1.5367 -1.5367 -1.5354 -1.5354 3.9987 3.9987 4.0058 4.0058 4.7930 4.7930 4.8407 4.8407 5.4648 5.4648 5.4740 5.4740 5.7995 5.7995 5.8921 5.8921 7.8766 7.8766 7.9307 7.9307 9.3406 9.3406 9.3751 9.3751 k = 0.5000 0.0269 0.2358 ( 5554 PWs) bands (ev): -20.4773 -20.4773 -20.4773 -20.4773 -7.2542 -7.2542 -7.2542 -7.2542 -5.4269 -5.4269 -5.4257 -5.4257 -5.1826 -5.1826 -5.1807 -5.1807 -1.7325 -1.7325 -1.7296 -1.7296 -1.5341 -1.5341 -1.5332 -1.5332 4.0031 4.0031 4.0078 4.0078 4.8154 4.8154 4.8491 4.8491 5.4636 5.4636 5.4699 5.4699 5.8141 5.8141 5.8786 5.8786 7.8552 7.8552 7.8924 7.8924 9.3296 9.3296 9.3526 9.3526 k = 0.5000 0.0135 0.2358 ( 5558 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2542 -7.2542 -7.2541 -7.2541 -5.4270 -5.4270 -5.4265 -5.4265 -5.1814 -5.1814 -5.1805 -5.1805 -1.7331 -1.7331 -1.7317 -1.7317 -1.5324 -1.5324 -1.5319 -1.5319 4.0062 4.0062 4.0085 4.0085 4.8331 4.8331 4.8505 4.8505 5.4636 5.4636 5.4668 5.4668 5.8300 5.8300 5.8632 5.8632 7.8462 7.8462 7.8652 7.8652 9.3252 9.3252 9.3367 9.3367 k = 0.5000-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2541 -7.2541 -7.2541 -7.2541 -5.4269 -5.4269 -5.4269 -5.4269 -5.1807 -5.1807 -5.1807 -5.1807 -1.7329 -1.7329 -1.7329 -1.7329 -1.5317 -1.5317 -1.5317 -1.5317 4.0080 4.0080 4.0080 4.0080 4.8451 4.8451 4.8451 4.8451 5.4646 5.4646 5.4646 5.4646 5.8467 5.8467 5.8467 5.8467 7.8496 7.8496 7.8496 7.8496 9.3275 9.3275 9.3275 9.3275 k = 0.5000-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2541 -7.2541 -7.2541 -7.2541 -5.4269 -5.4269 -5.4269 -5.4269 -5.1807 -5.1807 -5.1807 -5.1807 -1.7329 -1.7329 -1.7329 -1.7329 -1.5317 -1.5317 -1.5317 -1.5317 4.0080 4.0080 4.0080 4.0080 4.8451 4.8451 4.8451 4.8451 5.4646 5.4646 5.4646 5.4646 5.8467 5.8467 5.8467 5.8467 7.8496 7.8496 7.8496 7.8496 9.3275 9.3275 9.3275 9.3275 k = 0.5000-0.0000 0.2227 ( 5566 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2541 -7.2541 -7.2541 -7.2541 -5.4269 -5.4269 -5.4267 -5.4267 -5.1809 -5.1809 -5.1808 -5.1808 -1.7329 -1.7329 -1.7329 -1.7329 -1.5315 -1.5315 -1.5314 -1.5314 4.0032 4.0032 4.0040 4.0040 4.8469 4.8469 4.8525 4.8525 5.4623 5.4623 5.4691 5.4691 5.8481 5.8481 5.8481 5.8481 7.8490 7.8490 7.8508 7.8508 9.3129 9.3129 9.3163 9.3163 k = 0.5000-0.0000 0.2096 ( 5568 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2541 -7.2541 -7.2541 -7.2541 -5.4267 -5.4267 -5.4264 -5.4264 -5.1814 -5.1814 -5.1811 -5.1811 -1.7331 -1.7331 -1.7331 -1.7331 -1.5308 -1.5308 -1.5308 -1.5308 3.9903 3.9903 3.9918 3.9918 4.8575 4.8575 4.8686 4.8686 5.4620 5.4620 5.4757 5.4757 5.8525 5.8525 5.8526 5.8526 7.8492 7.8492 7.8525 7.8525 9.2733 9.2733 9.2802 9.2802 k = 0.5000-0.0000 0.1965 ( 5566 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2541 -7.2541 -7.2541 -7.2541 -5.4264 -5.4264 -5.4260 -5.4260 -5.1821 -5.1821 -5.1816 -5.1816 -1.7334 -1.7334 -1.7334 -1.7334 -1.5297 -1.5297 -1.5297 -1.5297 3.9703 3.9703 3.9723 3.9723 4.8756 4.8756 4.8919 4.8919 5.4638 5.4638 5.4842 5.4842 5.8601 5.8601 5.8603 5.8603 7.8502 7.8502 7.8547 7.8547 9.2116 9.2116 9.2221 9.2221 k = 0.5000-0.0000 0.1834 ( 5570 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2540 -7.2540 -7.2540 -7.2540 -5.4259 -5.4259 -5.4254 -5.4254 -5.1830 -5.1830 -5.1824 -5.1824 -1.7338 -1.7338 -1.7338 -1.7338 -1.5282 -1.5282 -1.5282 -1.5282 3.9449 3.9449 3.9472 3.9472 4.8990 4.8990 4.9202 4.9202 5.4675 5.4675 5.4945 5.4945 5.8714 5.8714 5.8719 5.8719 7.8521 7.8521 7.8573 7.8573 9.1318 9.1318 9.1460 9.1460 k = 0.5000-0.0000 0.1703 ( 5574 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2540 -7.2540 -7.2539 -7.2539 -5.4253 -5.4253 -5.4247 -5.4247 -5.1841 -5.1841 -5.1834 -5.1834 -1.7343 -1.7343 -1.7342 -1.7342 -1.5264 -1.5264 -1.5263 -1.5263 3.9158 3.9158 3.9182 3.9182 4.9259 4.9259 4.9514 4.9514 5.4731 5.4731 5.5061 5.5061 5.8870 5.8870 5.8880 5.8880 7.8551 7.8551 7.8603 7.8603 9.0381 9.0381 9.0560 9.0560 k = 0.5000-0.0000 0.1572 ( 5576 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2539 -7.2539 -7.2539 -7.2539 -5.4246 -5.4246 -5.4239 -5.4239 -5.1854 -5.1854 -5.1846 -5.1846 -1.7348 -1.7348 -1.7348 -1.7348 -1.5243 -1.5243 -1.5242 -1.5242 3.8845 3.8845 3.8869 3.8869 4.9540 4.9540 4.9833 4.9833 5.4801 5.4801 5.5185 5.5185 5.9078 5.9078 5.9092 5.9092 7.8592 7.8592 7.8636 7.8636 8.9345 8.9345 8.9563 8.9563 k = 0.5000-0.0000 0.1441 ( 5582 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2538 -7.2538 -7.2538 -7.2538 -5.4238 -5.4238 -5.4229 -5.4229 -5.1868 -5.1868 -5.1859 -5.1859 -1.7354 -1.7354 -1.7353 -1.7353 -1.5220 -1.5220 -1.5219 -1.5219 3.8524 3.8524 3.8546 3.8546 4.9819 4.9819 5.0140 5.0140 5.4883 5.4883 5.5308 5.5308 5.9345 5.9345 5.9363 5.9363 7.8645 7.8645 7.8671 7.8671 8.8245 8.8245 8.8502 8.8502 k = 0.5000-0.0000 0.1310 ( 5580 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2537 -7.2537 -7.2537 -7.2537 -5.4228 -5.4228 -5.4220 -5.4220 -5.1883 -5.1883 -5.1874 -5.1874 -1.7360 -1.7360 -1.7360 -1.7360 -1.5196 -1.5196 -1.5195 -1.5195 3.8205 3.8205 3.8225 3.8225 5.0083 5.0083 5.0422 5.0422 5.4972 5.4972 5.5421 5.5421 5.9677 5.9677 5.9696 5.9696 7.8705 7.8705 7.8710 7.8710 8.7110 8.7110 8.7410 8.7410 k = 0.5000-0.0000 0.1179 ( 5572 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2536 -7.2536 -7.2536 -7.2536 -5.4219 -5.4219 -5.4210 -5.4210 -5.1899 -5.1899 -5.1889 -5.1889 -1.7366 -1.7366 -1.7366 -1.7366 -1.5171 -1.5171 -1.5170 -1.5170 3.7896 3.7896 3.7915 3.7915 5.0325 5.0325 5.0670 5.0670 5.5062 5.5062 5.5519 5.5519 6.0074 6.0074 6.0092 6.0092 7.8737 7.8737 7.8785 7.8785 8.5965 8.5965 8.6312 8.6312 k = 0.5000-0.0000 0.1048 ( 5570 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2535 -7.2535 -7.2535 -7.2535 -5.4209 -5.4209 -5.4200 -5.4200 -5.1914 -5.1914 -5.1905 -5.1905 -1.7372 -1.7372 -1.7372 -1.7372 -1.5146 -1.5146 -1.5145 -1.5145 3.7606 3.7606 3.7622 3.7622 5.0541 5.0541 5.0880 5.0880 5.5149 5.5149 5.5596 5.5596 6.0531 6.0531 6.0546 6.0546 7.8760 7.8760 7.8868 7.8868 8.4834 8.4834 8.5234 8.5234 k = 0.5000-0.0000 0.0917 ( 5556 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2534 -7.2534 -7.2534 -7.2534 -5.4199 -5.4199 -5.4191 -5.4191 -5.1929 -5.1929 -5.1920 -5.1920 -1.7378 -1.7378 -1.7377 -1.7377 -1.5122 -1.5122 -1.5121 -1.5121 3.7339 3.7339 3.7353 3.7353 5.0729 5.0729 5.1052 5.1052 5.5229 5.5229 5.5650 5.5650 6.1035 6.1035 6.1046 6.1046 7.8769 7.8769 7.8953 7.8953 8.3740 8.3740 8.4202 8.4202 k = 0.5000-0.0000 0.0786 ( 5560 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2533 -7.2533 -7.2533 -7.2533 -5.4189 -5.4189 -5.4182 -5.4182 -5.1943 -5.1943 -5.1935 -5.1935 -1.7383 -1.7383 -1.7383 -1.7383 -1.5099 -1.5099 -1.5098 -1.5098 3.7100 3.7100 3.7111 3.7111 5.0891 5.0891 5.1186 5.1186 5.5301 5.5301 5.5684 5.5684 6.1567 6.1567 6.1574 6.1574 7.8756 7.8756 7.9035 7.9035 8.2710 8.2710 8.3244 8.3244 k = 0.5000-0.0000 0.0655 ( 5560 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2533 -7.2533 -7.2532 -7.2532 -5.4181 -5.4181 -5.4174 -5.4174 -5.1956 -5.1956 -5.1948 -5.1948 -1.7388 -1.7388 -1.7387 -1.7387 -1.5079 -1.5079 -1.5078 -1.5078 3.6893 3.6893 3.6902 3.6902 5.1029 5.1029 5.1288 5.1288 5.5365 5.5365 5.5698 5.5698 6.2103 6.2103 6.2108 6.2108 7.8710 7.8710 7.9097 7.9097 8.1779 8.1779 8.2390 8.2390 k = 0.5000-0.0000 0.0524 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2532 -7.2532 -7.2532 -7.2532 -5.4173 -5.4173 -5.4167 -5.4167 -5.1966 -5.1966 -5.1960 -5.1960 -1.7392 -1.7392 -1.7391 -1.7391 -1.5061 -1.5061 -1.5060 -1.5060 3.6720 3.6720 3.6727 3.6727 5.1145 5.1145 5.1360 5.1360 5.5421 5.5421 5.5698 5.5698 6.2613 6.2613 6.2617 6.2617 7.8624 7.8624 7.9110 7.9110 8.1000 8.1000 8.1672 8.1672 k = 0.5000-0.0000 0.0393 ( 5572 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2531 -7.2531 -7.2531 -7.2531 -5.4166 -5.4166 -5.4161 -5.4161 -5.1975 -5.1975 -5.1970 -5.1970 -1.7395 -1.7395 -1.7395 -1.7395 -1.5047 -1.5047 -1.5046 -1.5046 3.6583 3.6583 3.6588 3.6588 5.1239 5.1239 5.1405 5.1405 5.5472 5.5472 5.5685 5.5685 6.3066 6.3066 6.3069 6.3069 7.8503 7.8503 7.9014 7.9014 8.0459 8.0459 8.1114 8.1114 k = 0.5000-0.0000 0.0262 ( 5570 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2531 -7.2531 -7.2531 -7.2531 -5.4161 -5.4161 -5.4158 -5.4158 -5.1981 -5.1981 -5.1977 -5.1977 -1.7397 -1.7397 -1.7397 -1.7397 -1.5036 -1.5036 -1.5036 -1.5036 3.6485 3.6485 3.6488 3.6488 5.1314 5.1314 5.1428 5.1428 5.5518 5.5518 5.5663 5.5663 6.3424 6.3424 6.3427 6.3427 7.8380 7.8380 7.8780 7.8780 8.0216 8.0216 8.0714 8.0714 k = 0.5000-0.0000 0.0131 ( 5574 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2531 -7.2531 -7.2531 -7.2531 -5.4157 -5.4157 -5.4156 -5.4156 -5.1984 -5.1984 -5.1983 -5.1983 -1.7398 -1.7398 -1.7398 -1.7398 -1.5030 -1.5030 -1.5030 -1.5030 3.6426 3.6426 3.6427 3.6427 5.1371 5.1371 5.1428 5.1428 5.5561 5.5561 5.5633 5.5633 6.3657 6.3657 6.3658 6.3658 7.8309 7.8309 7.8517 7.8517 8.0188 8.0188 8.0445 8.0445 k = 0.5000-0.0000-0.0000 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2530 -7.2530 -7.2530 -7.2530 -5.4156 -5.4156 -5.4156 -5.4156 -5.1985 -5.1985 -5.1985 -5.1985 -1.7399 -1.7399 -1.7399 -1.7399 -1.5028 -1.5028 -1.5028 -1.5028 3.6406 3.6406 3.6406 3.6406 5.1409 5.1409 5.1409 5.1409 5.5599 5.5599 5.5599 5.5599 6.3738 6.3738 6.3738 6.3738 7.8347 7.8347 7.8347 7.8347 8.0274 8.0274 8.0274 8.0274 k = 0.0000 0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2054 -7.2054 -7.1705 -7.1705 -5.3733 -5.3733 -5.3385 -5.3385 -5.0885 -5.0885 -5.0773 -5.0773 -3.3556 -3.3556 -3.2071 -3.2071 -0.0650 -0.0650 0.7163 0.7163 4.0593 4.0593 4.5637 4.5637 5.0329 5.0329 5.0656 5.0656 5.1871 5.1871 6.3915 6.3915 6.3936 6.3936 7.8538 7.8538 8.0264 8.0264 8.1049 8.1049 8.6032 8.6032 9.2202 9.2202 k = 0.0135-0.0000 0.2358 ( 5544 PWs) bands (ev): -20.5043 -20.5043 -20.4921 -20.4921 -7.2054 -7.2054 -7.1706 -7.1706 -5.3732 -5.3732 -5.3383 -5.3383 -5.0891 -5.0891 -5.0779 -5.0779 -3.3541 -3.3541 -3.2059 -3.2059 -0.0654 -0.0654 0.7141 0.7141 4.0587 4.0587 4.5640 4.5640 5.0301 5.0301 5.0530 5.0530 5.1872 5.1872 6.3862 6.3862 6.4119 6.4119 7.8485 7.8485 8.0255 8.0255 8.1108 8.1108 8.6033 8.6033 9.2204 9.2204 k = 0.0270-0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5042 -20.5042 -20.4920 -20.4920 -7.2057 -7.2057 -7.1709 -7.1709 -5.3730 -5.3730 -5.3378 -5.3378 -5.0906 -5.0906 -5.0797 -5.0797 -3.3495 -3.3495 -3.2024 -3.2024 -0.0665 -0.0665 0.7077 0.7077 4.0570 4.0570 4.5647 4.5647 5.0050 5.0050 5.0349 5.0349 5.1864 5.1864 6.3874 6.3874 6.4474 6.4474 7.8328 7.8328 8.0231 8.0231 8.1279 8.1279 8.6038 8.6038 9.2214 9.2214 k = 0.0405-0.0000 0.2358 ( 5558 PWs) bands (ev): -20.5040 -20.5040 -20.4918 -20.4918 -7.2060 -7.2060 -7.1715 -7.1715 -5.3726 -5.3726 -5.3370 -5.3370 -5.0932 -5.0932 -5.0826 -5.0826 -3.3420 -3.3420 -3.1964 -3.1964 -0.0684 -0.0684 0.6968 0.6968 4.0541 4.0541 4.5652 4.5652 4.9481 4.9481 5.0277 5.0277 5.1837 5.1837 6.3922 6.3922 6.4977 6.4977 7.8074 7.8074 8.0190 8.0190 8.1550 8.1550 8.6051 8.6051 9.2245 9.2245 k = 0.0541-0.0000 0.2358 ( 5554 PWs) bands (ev): -20.5037 -20.5037 -20.4916 -20.4916 -7.2066 -7.2066 -7.1722 -7.1722 -5.3721 -5.3721 -5.3358 -5.3358 -5.0967 -5.0967 -5.0865 -5.0865 -3.3315 -3.3315 -3.1881 -3.1881 -0.0713 -0.0713 0.6816 0.6816 4.0500 4.0500 4.5638 4.5638 4.8779 4.8779 5.0202 5.0202 5.1795 5.1795 6.3981 6.3981 6.5581 6.5581 7.7731 7.7731 8.0131 8.0131 8.1913 8.1913 8.6075 8.6075 9.2315 9.2315 k = 0.0676-0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5033 -20.5033 -20.4913 -20.4913 -7.2073 -7.2073 -7.1732 -7.1732 -5.3715 -5.3715 -5.3344 -5.3344 -5.1012 -5.1012 -5.0915 -5.0915 -3.3181 -3.3181 -3.1773 -3.1773 -0.0752 -0.0752 0.6620 0.6620 4.0445 4.0445 4.5565 4.5565 4.8047 4.8047 5.0117 5.0117 5.1749 5.1749 6.4033 6.4033 6.6236 6.6236 7.7303 7.7303 8.0049 8.0049 8.2358 8.2358 8.6118 8.6118 9.2438 9.2438 k = 0.0811-0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5028 -20.5028 -20.4910 -20.4910 -7.2081 -7.2081 -7.1744 -7.1744 -5.3708 -5.3708 -5.3327 -5.3327 -5.1066 -5.1066 -5.0973 -5.0973 -3.3018 -3.3018 -3.1642 -3.1642 -0.0803 -0.0803 0.6379 0.6379 4.0377 4.0377 4.5341 4.5341 4.7419 4.7419 5.0024 5.0024 5.1709 5.1709 6.4059 6.4059 6.6896 6.6896 7.6797 7.6797 7.9942 7.9942 8.2875 8.2875 8.6187 8.6187 9.2623 9.2623 k = 0.0946-0.0000 0.2358 ( 5552 PWs) bands (ev): -20.5023 -20.5023 -20.4906 -20.4906 -7.2091 -7.2091 -7.1757 -7.1757 -5.3701 -5.3701 -5.3308 -5.3308 -5.1128 -5.1128 -5.1038 -5.1038 -3.2826 -3.2826 -3.1488 -3.1488 -0.0868 -0.0868 0.6093 0.6093 4.0295 4.0295 4.4845 4.4845 4.7047 4.7047 4.9934 4.9934 5.1679 5.1679 6.4042 6.4042 6.7524 6.7524 7.6221 7.6221 7.9812 7.9812 8.3448 8.3448 8.6290 8.6290 9.2865 9.2865 k = 0.1081-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.5017 -20.5017 -20.4902 -20.4902 -7.2102 -7.2102 -7.1773 -7.1773 -5.3694 -5.3694 -5.3287 -5.3287 -5.1198 -5.1198 -5.1108 -5.1108 -3.2607 -3.2607 -3.1310 -3.1310 -0.0950 -0.0950 0.5762 0.5762 4.0200 4.0200 4.4102 4.4102 4.6933 4.6933 4.9855 4.9855 5.1661 5.1661 6.3965 6.3965 6.8091 6.8091 7.5582 7.5582 7.9667 7.9667 8.4051 8.4051 8.6435 8.6435 9.3141 9.3141 k = 0.1216-0.0000 0.2358 ( 5568 PWs) bands (ev): -20.5010 -20.5010 -20.4897 -20.4897 -7.2115 -7.2115 -7.1791 -7.1791 -5.3687 -5.3687 -5.3266 -5.3266 -5.1275 -5.1275 -5.1182 -5.1182 -3.2360 -3.2360 -3.1108 -3.1108 -0.1050 -0.1050 0.5385 0.5385 4.0092 4.0092 4.3242 4.3242 4.6968 4.6968 4.9796 4.9796 5.1656 5.1656 6.3817 6.3817 6.8575 6.8575 7.4888 7.4888 7.9518 7.9518 8.4649 8.4649 8.6628 8.6628 9.3402 9.3402 k = 0.1351-0.0000 0.2358 ( 5566 PWs) bands (ev): -20.5003 -20.5003 -20.4891 -20.4891 -7.2130 -7.2130 -7.1811 -7.1811 -5.3682 -5.3682 -5.3244 -5.3244 -5.1358 -5.1358 -5.1258 -5.1258 -3.2087 -3.2087 -3.0883 -3.0883 -0.1172 -0.1172 0.4962 0.4962 3.9969 3.9969 4.2358 4.2358 4.7081 4.7081 4.9764 4.9764 5.1664 5.1664 6.3587 6.3587 6.8962 6.8962 7.4149 7.4149 7.9381 7.9381 8.5194 8.5194 8.6874 8.6874 9.3580 9.3580 k = 0.1486-0.0000 0.2358 ( 5572 PWs) bands (ev): -20.4995 -20.4995 -20.4886 -20.4886 -7.2145 -7.2145 -7.1833 -7.1833 -5.3678 -5.3678 -5.3223 -5.3223 -5.1445 -5.1445 -5.1333 -5.1333 -3.1787 -3.1787 -3.0635 -3.0635 -0.1319 -0.1319 0.4494 0.4494 3.9819 3.9819 4.1508 4.1508 4.7241 4.7241 4.9761 4.9761 5.1682 5.1682 6.3269 6.3269 6.9240 6.9240 7.3373 7.3373 7.9270 7.9270 8.5633 8.5633 8.7170 8.7170 9.3613 9.3613 k = 0.1622-0.0000 0.2358 ( 5574 PWs) bands (ev): -20.4987 -20.4987 -20.4879 -20.4879 -7.2162 -7.2162 -7.1857 -7.1857 -5.3677 -5.3677 -5.3204 -5.3204 -5.1534 -5.1534 -5.1408 -5.1408 -3.1462 -3.1462 -3.0363 -3.0363 -0.1493 -0.1493 0.3982 0.3982 3.9595 3.9595 4.0769 4.0769 4.7433 4.7433 4.9791 4.9791 5.1711 5.1711 6.2861 6.2861 6.9402 6.9402 7.2571 7.2571 7.9197 7.9197 8.5930 8.5930 8.7491 8.7491 9.3492 9.3492 k = 0.1757-0.0000 0.2358 ( 5568 PWs) bands (ev): -20.4977 -20.4977 -20.4873 -20.4873 -7.2180 -7.2180 -7.1882 -7.1882 -5.3678 -5.3678 -5.3188 -5.3188 -5.1623 -5.1623 -5.1480 -5.1480 -3.1112 -3.1112 -3.0068 -3.0068 -0.1697 -0.1697 0.3427 0.3427 3.9188 3.9188 4.0270 4.0270 4.7651 4.7651 4.9852 4.9852 5.1750 5.1750 6.2364 6.2364 6.9444 6.9444 7.1753 7.1753 7.9169 7.9169 8.6067 8.6067 8.7797 8.7797 9.3304 9.3304 k = 0.1892-0.0000 0.2358 ( 5566 PWs) bands (ev): -20.4968 -20.4968 -20.4866 -20.4866 -7.2199 -7.2199 -7.1909 -7.1909 -5.3684 -5.3684 -5.3178 -5.3178 -5.1708 -5.1708 -5.1548 -5.1548 -3.0738 -3.0738 -2.9749 -2.9749 -0.1934 -0.1934 0.2830 0.2830 3.8589 3.8589 4.0036 4.0036 4.7889 4.7889 4.9944 4.9944 5.1797 5.1797 6.1784 6.1784 6.9361 6.9361 7.0933 7.0933 7.9192 7.9192 8.6037 8.6037 8.8055 8.8055 9.3163 9.3163 k = 0.2027-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4958 -20.4958 -20.4860 -20.4860 -7.2219 -7.2219 -7.1938 -7.1938 -5.3694 -5.3694 -5.3174 -5.3174 -5.1788 -5.1788 -5.1612 -5.1612 -3.0339 -3.0339 -2.9407 -2.9407 -0.2207 -0.2207 0.2192 0.2192 3.7942 3.7942 3.9937 3.9937 4.8142 4.8142 5.0064 5.0064 5.1854 5.1854 6.1129 6.1129 6.9139 6.9139 7.0136 7.0136 7.9264 7.9264 8.5840 8.5840 8.8258 8.8258 9.3133 9.3133 k = 0.2162-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.4948 -20.4948 -20.4853 -20.4853 -7.2240 -7.2240 -7.1968 -7.1968 -5.3709 -5.3709 -5.3179 -5.3179 -5.1860 -5.1860 -5.1669 -5.1669 -2.9918 -2.9918 -2.9042 -2.9042 -0.2518 -0.2518 0.1518 0.1518 3.7323 3.7323 3.9905 3.9905 4.8408 4.8408 5.0208 5.0208 5.1919 5.1919 6.0409 6.0409 6.8731 6.8731 6.9421 6.9421 7.9382 7.9382 8.5497 8.5497 8.8404 8.8404 9.3226 9.3226 k = 0.2297-0.0000 0.2358 ( 5568 PWs) bands (ev): -20.4938 -20.4938 -20.4846 -20.4846 -7.2262 -7.2262 -7.1999 -7.1999 -5.3729 -5.3729 -5.3194 -5.3194 -5.1921 -5.1921 -5.1720 -5.1720 -2.9474 -2.9474 -2.8654 -2.8654 -0.2867 -0.2867 0.0808 0.0808 3.6762 3.6762 3.9921 3.9921 4.8682 4.8682 5.0372 5.0372 5.1992 5.1992 5.9635 5.9635 6.8098 6.8098 6.8844 6.8844 7.9539 7.9539 8.5043 8.5043 8.8494 8.8494 9.3427 9.3427 k = 0.2432-0.0000 0.2358 ( 5574 PWs) bands (ev): -20.4927 -20.4927 -20.4838 -20.4838 -7.2285 -7.2285 -7.2032 -7.2032 -5.3754 -5.3754 -5.3221 -5.3221 -5.1970 -5.1970 -5.1763 -5.1763 -2.9007 -2.9007 -2.8242 -2.8242 -0.3258 -0.3258 0.0067 0.0067 3.6269 3.6269 3.9980 3.9980 4.8960 4.8960 5.0553 5.0553 5.2073 5.2073 5.8820 5.8820 6.7340 6.7340 6.8318 6.8318 7.9727 7.9727 8.4520 8.4520 8.8526 8.8526 9.3709 9.3709 k = 0.2568-0.0000 0.2358 ( 5572 PWs) bands (ev): -20.4916 -20.4916 -20.4831 -20.4831 -7.2307 -7.2307 -7.2065 -7.2065 -5.3785 -5.3785 -5.3260 -5.3260 -5.2006 -5.2006 -5.1799 -5.1799 -2.8519 -2.8519 -2.7807 -2.7807 -0.3690 -0.3690 -0.0704 -0.0704 3.5850 3.5850 4.0079 4.0079 4.9239 4.9239 5.0744 5.0744 5.2159 5.2159 5.7977 5.7977 6.6552 6.6552 6.7764 6.7764 7.9933 7.9933 8.3963 8.3963 8.8501 8.8501 9.4047 9.4047 k = 0.2703-0.0000 0.2358 ( 5570 PWs) bands (ev): -20.4906 -20.4906 -20.4824 -20.4824 -7.2331 -7.2331 -7.2099 -7.2099 -5.3820 -5.3820 -5.3310 -5.3310 -5.2028 -5.2028 -5.1826 -5.1826 -2.8010 -2.8010 -2.7349 -2.7349 -0.4163 -0.4163 -0.1501 -0.1501 3.5508 3.5508 4.0217 4.0217 4.9514 4.9514 5.0938 5.0938 5.2248 5.2248 5.7124 5.7124 6.5765 6.5765 6.7168 6.7168 8.0142 8.0142 8.3405 8.3405 8.8425 8.8425 9.4417 9.4417 k = 0.2838-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4895 -20.4895 -20.4818 -20.4818 -7.2354 -7.2354 -7.2134 -7.2134 -5.3859 -5.3859 -5.3370 -5.3370 -5.2039 -5.2039 -5.1847 -5.1847 -2.7480 -2.7480 -2.6867 -2.6867 -0.4676 -0.4676 -0.2320 -0.2320 3.5246 3.5246 4.0395 4.0395 4.9780 4.9780 5.1122 5.1122 5.2335 5.2335 5.6285 5.6285 6.4991 6.4991 6.6532 6.6532 8.0328 8.0328 8.2874 8.2874 8.8312 8.8312 9.4800 9.4800 k = 0.2973-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.4884 -20.4884 -20.4811 -20.4811 -7.2376 -7.2376 -7.2168 -7.2168 -5.3901 -5.3901 -5.3437 -5.3437 -5.2040 -5.2040 -5.1860 -5.1860 -2.6930 -2.6930 -2.6363 -2.6363 -0.5228 -0.5228 -0.3158 -0.3158 3.5062 3.5062 4.0609 4.0609 5.0032 5.0032 5.1276 5.1276 5.2407 5.2407 5.5496 5.5496 6.4237 6.4237 6.5865 6.5865 8.0452 8.0452 8.2407 8.2407 8.8179 8.8179 9.5174 9.5174 k = 0.3108-0.0000 0.2358 ( 5560 PWs) bands (ev): -20.4874 -20.4874 -20.4805 -20.4805 -7.2399 -7.2399 -7.2203 -7.2203 -5.3944 -5.3944 -5.3509 -5.3509 -5.2033 -5.2033 -5.1868 -5.1868 -2.6361 -2.6361 -2.5835 -2.5835 -0.5817 -0.5817 -0.4012 -0.4012 3.4956 3.4956 4.0859 4.0859 5.0260 5.0260 5.1360 5.1360 5.2449 5.2449 5.4823 5.4823 6.3506 6.3506 6.5179 6.5179 8.0455 8.0455 8.2054 8.2054 8.8054 8.8054 9.5524 9.5524 k = 0.3243-0.0000 0.2358 ( 5560 PWs) bands (ev): -20.4864 -20.4864 -20.4799 -20.4799 -7.2421 -7.2421 -7.2237 -7.2237 -5.3989 -5.3989 -5.3584 -5.3584 -5.2020 -5.2020 -5.1871 -5.1871 -2.5773 -2.5773 -2.5285 -2.5285 -0.6441 -0.6441 -0.4878 -0.4878 3.4927 3.4927 4.1141 4.1141 5.0438 5.0438 5.1308 5.1308 5.2453 5.2453 5.4363 5.4363 6.2800 6.2800 6.4485 6.4485 8.0294 8.0294 8.1846 8.1846 8.7964 8.7964 9.5830 9.5830 k = 0.3378-0.0000 0.2358 ( 5570 PWs) bands (ev): -20.4854 -20.4854 -20.4793 -20.4793 -7.2441 -7.2441 -7.2271 -7.2271 -5.4034 -5.4034 -5.3660 -5.3660 -5.2003 -5.2003 -5.1869 -5.1869 -2.5167 -2.5167 -2.4712 -2.4712 -0.7096 -0.7096 -0.5754 -0.5754 3.4972 3.4972 4.1451 4.1451 5.0452 5.0452 5.1137 5.1137 5.2458 5.2458 5.4171 5.4171 6.2123 6.2123 6.3794 6.3794 8.0004 8.0004 8.1732 8.1732 8.7938 8.7938 9.6079 9.6079 k = 0.3514-0.0000 0.2358 ( 5570 PWs) bands (ev): -20.4844 -20.4844 -20.4788 -20.4788 -7.2461 -7.2461 -7.2304 -7.2304 -5.4077 -5.4077 -5.3735 -5.3735 -5.1983 -5.1983 -5.1865 -5.1865 -2.4542 -2.4542 -2.4116 -2.4116 -0.7780 -0.7780 -0.6636 -0.6636 3.5089 3.5089 4.1783 4.1783 5.0058 5.0058 5.1110 5.1110 5.2499 5.2499 5.4191 5.4191 6.1476 6.1476 6.3119 6.3119 7.9661 7.9661 8.1625 8.1625 8.8001 8.8001 9.6257 9.6257 k = 0.3649-0.0000 0.2358 ( 5568 PWs) bands (ev): -20.4835 -20.4835 -20.4784 -20.4784 -7.2479 -7.2479 -7.2336 -7.2336 -5.4118 -5.4118 -5.3809 -5.3809 -5.1962 -5.1962 -5.1858 -5.1858 -2.3901 -2.3901 -2.3500 -2.3500 -0.8490 -0.8490 -0.7521 -0.7521 3.5274 3.5274 4.2129 4.2129 4.9397 4.9397 5.1188 5.1188 5.2567 5.2567 5.4329 5.4329 6.0863 6.0863 6.2470 6.2470 7.9318 7.9318 8.1472 8.1472 8.8166 8.8166 9.6359 9.6359 k = 0.3784-0.0000 0.2358 ( 5570 PWs) bands (ev): -20.4826 -20.4826 -20.4780 -20.4780 -7.2496 -7.2496 -7.2366 -7.2366 -5.4156 -5.4156 -5.3879 -5.3879 -5.1940 -5.1940 -5.1849 -5.1849 -2.3244 -2.3244 -2.2862 -2.2862 -0.9221 -0.9221 -0.8406 -0.8406 3.5525 3.5525 4.2473 4.2473 4.8664 4.8664 5.1244 5.1244 5.2656 5.2656 5.4523 5.4523 6.0288 6.0288 6.1858 6.1858 7.9001 7.9001 8.1255 8.1255 8.8432 8.8432 9.6381 9.6381 k = 0.3919-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4817 -20.4817 -20.4776 -20.4776 -7.2511 -7.2511 -7.2395 -7.2395 -5.4190 -5.4190 -5.3944 -5.3944 -5.1918 -5.1918 -5.1840 -5.1840 -2.2571 -2.2571 -2.2206 -2.2206 -0.9971 -0.9971 -0.9288 -0.9288 3.5837 3.5837 4.2790 4.2790 4.7950 4.7950 5.1234 5.1234 5.2772 5.2772 5.4738 5.4738 5.9756 5.9756 6.1289 6.1289 7.8724 7.8724 8.0981 8.0981 8.8792 8.8792 9.6324 9.6324 k = 0.4054-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.4810 -20.4810 -20.4774 -20.4774 -7.2524 -7.2524 -7.2422 -7.2422 -5.4219 -5.4219 -5.4006 -5.4006 -5.1898 -5.1898 -5.1831 -5.1831 -2.1883 -2.1883 -2.1531 -2.1531 -1.0735 -1.0735 -1.0164 -1.0164 3.6207 3.6207 4.3032 4.3032 4.7325 4.7325 5.1134 5.1134 5.2924 5.2924 5.4947 5.4947 5.9276 5.9276 6.0771 6.0771 7.8495 7.8495 8.0664 8.0664 8.9230 8.9230 9.6186 9.6186 k = 0.4189-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.4803 -20.4803 -20.4771 -20.4771 -7.2534 -7.2534 -7.2446 -7.2446 -5.4244 -5.4244 -5.4062 -5.4062 -5.1878 -5.1878 -5.1823 -5.1823 -2.1182 -2.1182 -2.0841 -2.0841 -1.1509 -1.1509 -1.1029 -1.1029 3.6632 3.6632 4.3123 4.3123 4.6877 4.6877 5.0942 5.0942 5.3111 5.3111 5.5127 5.5127 5.8862 5.8862 6.0305 6.0305 7.8320 7.8320 8.0320 8.0320 8.9730 8.9730 9.5967 9.5967 k = 0.4324-0.0000 0.2358 ( 5572 PWs) bands (ev): -20.4796 -20.4796 -20.4770 -20.4770 -7.2542 -7.2542 -7.2469 -7.2469 -5.4264 -5.4264 -5.4112 -5.4112 -5.1861 -5.1861 -5.1815 -5.1815 -2.0469 -2.0469 -2.0139 -2.0139 -1.2289 -1.2289 -1.1880 -1.1880 3.7106 3.7106 4.2981 4.2981 4.6694 4.6694 5.0664 5.0664 5.3328 5.3328 5.5253 5.5253 5.8533 5.8533 5.9892 5.9892 7.8202 7.8202 7.9967 7.9967 9.0278 9.0278 9.5670 9.5670 k = 0.4459-0.0000 0.2358 ( 5566 PWs) bands (ev): -20.4790 -20.4790 -20.4769 -20.4769 -7.2548 -7.2548 -7.2489 -7.2489 -5.4277 -5.4277 -5.4156 -5.4156 -5.1845 -5.1845 -5.1809 -5.1809 -1.9749 -1.9749 -1.9431 -1.9431 -1.3066 -1.3066 -1.2712 -1.2712 3.7628 3.7628 4.2597 4.2597 4.6787 4.6787 5.0311 5.0311 5.3569 5.3569 5.5299 5.5299 5.8308 5.8308 5.9527 5.9527 7.8144 7.8144 7.9618 7.9618 9.0858 9.0858 9.5302 9.5302 k = 0.4595-0.0000 0.2358 ( 5560 PWs) bands (ev): -20.4785 -20.4785 -20.4769 -20.4769 -7.2550 -7.2550 -7.2506 -7.2506 -5.4285 -5.4285 -5.4194 -5.4194 -5.1832 -5.1832 -5.1805 -5.1805 -1.9029 -1.9029 -1.8727 -1.8727 -1.3829 -1.3829 -1.3517 -1.3517 3.8191 3.8191 4.2048 4.2048 4.7078 4.7078 4.9898 4.9898 5.3828 5.3828 5.5249 5.5249 5.8202 5.8202 5.9206 5.9206 7.8145 7.8145 7.9287 7.9287 9.1460 9.1460 9.4869 9.4869 k = 0.4730-0.0000 0.2358 ( 5556 PWs) bands (ev): -20.4780 -20.4780 -20.4770 -20.4770 -7.2550 -7.2550 -7.2521 -7.2521 -5.4286 -5.4286 -5.4226 -5.4226 -5.1821 -5.1821 -5.1804 -5.1804 -1.8328 -1.8328 -1.8055 -1.8055 -1.4547 -1.4547 -1.4276 -1.4276 3.8792 3.8792 4.1415 4.1415 4.7486 4.7486 4.9440 4.9440 5.4099 5.4099 5.5108 5.5108 5.8208 5.8208 5.8923 5.8923 7.8206 7.8206 7.8984 7.8984 9.2071 9.2071 9.4380 9.4380 k = 0.4865-0.0000 0.2358 ( 5558 PWs) bands (ev): -20.4777 -20.4777 -20.4771 -20.4771 -7.2547 -7.2547 -7.2533 -7.2533 -5.4281 -5.4281 -5.4251 -5.4251 -5.1813 -5.1813 -5.1804 -5.1804 -1.7700 -1.7700 -1.7502 -1.7502 -1.5131 -1.5131 -1.4936 -1.4936 3.9424 3.9424 4.0749 4.0749 4.7954 4.7954 4.8952 4.8952 5.4375 5.4375 5.4898 5.4898 5.8305 5.8305 5.8676 5.8676 7.8324 7.8324 7.8718 7.8718 9.2680 9.2680 9.3846 9.3846 k = 0.5000-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2541 -7.2541 -7.2541 -7.2541 -5.4269 -5.4269 -5.4269 -5.4269 -5.1807 -5.1807 -5.1807 -5.1807 -1.7329 -1.7329 -1.7329 -1.7329 -1.5317 -1.5317 -1.5317 -1.5317 4.0080 4.0080 4.0080 4.0080 4.8451 4.8451 4.8451 4.8451 5.4646 5.4646 5.4646 5.4646 5.8467 5.8467 5.8467 5.8467 7.8496 7.8496 7.8496 7.8496 9.3275 9.3275 9.3275 9.3275 Writing output data file BaSb2.save init_run : 0.36s CPU 0.43s WALL ( 1 calls) electrons : 444.12s CPU 446.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 444.11s CPU 446.97s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 254 calls) cegterg : 417.01s CPU 419.24s WALL ( 404 calls) Called by sum_band: Called by *egterg: h_psi : 223.56s CPU 225.77s WALL ( 6468 calls) s_psi : 5.91s CPU 5.88s WALL ( 6468 calls) g_psi : 0.14s CPU 0.13s WALL ( 5810 calls) cdiaghg : 175.93s CPU 176.30s WALL ( 6064 calls) cegterg:over : 16.85s CPU 16.73s WALL ( 5810 calls) cegterg:upda : 6.10s CPU 6.05s WALL ( 5810 calls) cegterg:last : 5.58s CPU 5.56s WALL ( 1166 calls) cdiaghg:chol : 7.00s CPU 6.79s WALL ( 6064 calls) cdiaghg:inve : 3.80s CPU 3.88s WALL ( 6064 calls) cdiaghg:para : 22.39s CPU 22.61s WALL ( 12128 calls) Called by h_psi: h_psi:vloc : 207.33s CPU 209.28s WALL ( 6468 calls) h_psi:vnl : 16.10s CPU 16.37s WALL ( 6468 calls) add_vuspsi : 6.75s CPU 6.93s WALL ( 6468 calls) General routines calbec : 9.33s CPU 9.42s WALL ( 6468 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 204.60s CPU 206.66s WALL ( 631956 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.10s CPU 0.20s WALL ( 508 calls) Parallel routines fft_scatter : 189.03s CPU 190.60s WALL ( 631979 calls) PWSCF : 8m16.55s CPU 8m40.33s WALL This run was terminated on: 23:59:30 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=