Program PWSCF v.5.1.1 starts on 17Jul2015 at 21:19:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 18 5 1555 679 108 Max 33 19 6 1564 696 116 Sum 1559 907 265 74793 33089 5337 bravais-lattice index = 14 lattice parameter (alat) = 7.5978 a.u. unit-cell volume = 759.7173 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.597832 celldm(2)= 1.048749 celldm(3)= 1.655148 celldm(4)= 0.065214 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 1.048749 0.000000 ) a(3) = ( 0.000000 0.107939 1.651625 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.953517 -0.062316 ) b(3) = ( 0.000000 0.000000 0.605464 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) No symmetry found (note: 1 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0000000 0.0126138), wk = 0.0033223 k( 3) = ( 0.0000000 0.0000000 0.0252277), wk = 0.0033223 k( 4) = ( 0.0000000 0.0000000 0.0378415), wk = 0.0033223 k( 5) = ( 0.0000000 0.0000000 0.0504554), wk = 0.0033223 k( 6) = ( 0.0000000 0.0000000 0.0630692), wk = 0.0033223 k( 7) = ( 0.0000000 0.0000000 0.0756831), wk = 0.0033223 k( 8) = ( 0.0000000 0.0000000 0.0882969), wk = 0.0033223 k( 9) = ( 0.0000000 0.0000000 0.1009107), wk = 0.0033223 k( 10) = ( 0.0000000 0.0000000 0.1135246), wk = 0.0033223 k( 11) = ( 0.0000000 0.0000000 0.1261384), wk = 0.0033223 k( 12) = ( 0.0000000 0.0000000 0.1387523), wk = 0.0033223 k( 13) = ( 0.0000000 0.0000000 0.1513661), wk = 0.0033223 k( 14) = ( 0.0000000 0.0000000 0.1639799), wk = 0.0033223 k( 15) = ( 0.0000000 0.0000000 0.1765938), wk = 0.0033223 k( 16) = ( 0.0000000 0.0000000 0.1892076), wk = 0.0033223 k( 17) = ( 0.0000000 0.0000000 0.2018215), wk = 0.0033223 k( 18) = ( 0.0000000 0.0000000 0.2144353), wk = 0.0033223 k( 19) = ( 0.0000000 0.0000000 0.2270492), wk = 0.0033223 k( 20) = ( 0.0000000 0.0000000 0.2396630), wk = 0.0033223 k( 21) = ( 0.0000000 0.0000000 0.2522768), wk = 0.0033223 k( 22) = ( 0.0000000 0.0000000 0.2648907), wk = 0.0033223 k( 23) = ( 0.0000000 0.0000000 0.2775045), wk = 0.0033223 k( 24) = ( 0.0000000 0.0000000 0.2901184), wk = 0.0033223 k( 25) = ( 0.0000000 0.0000000 0.3027322), wk = 0.0033223 k( 26) = ( 0.0000000 0.0000000 0.3027322), wk = 0.0033223 k( 27) = ( 0.0000000 0.0127503 0.3027322), wk = 0.0033223 k( 28) = ( 0.0000000 0.0255006 0.3027322), wk = 0.0033223 k( 29) = ( 0.0000000 0.0382509 0.3027322), wk = 0.0033223 k( 30) = ( 0.0000000 0.0510011 0.3027322), wk = 0.0033223 k( 31) = ( 0.0000000 0.0637514 0.3027322), wk = 0.0033223 k( 32) = ( 0.0000000 0.0765017 0.3027322), wk = 0.0033223 k( 33) = ( 0.0000000 0.0892520 0.3027322), wk = 0.0033223 k( 34) = ( 0.0000000 0.1020023 0.3027322), wk = 0.0033223 k( 35) = ( 0.0000000 0.1147526 0.3027322), wk = 0.0033223 k( 36) = ( 0.0000000 0.1275028 0.3027322), wk = 0.0033223 k( 37) = ( 0.0000000 0.1402531 0.3027322), wk = 0.0033223 k( 38) = ( 0.0000000 0.1530034 0.3027322), wk = 0.0033223 k( 39) = ( 0.0000000 0.1657537 0.3027322), wk = 0.0033223 k( 40) = ( 0.0000000 0.1785040 0.3027322), wk = 0.0033223 k( 41) = ( 0.0000000 0.1912543 0.3027322), wk = 0.0033223 k( 42) = ( 0.0000000 0.2040045 0.3027322), wk = 0.0033223 k( 43) = ( 0.0000000 0.2167548 0.3027322), wk = 0.0033223 k( 44) = ( 0.0000000 0.2295051 0.3027322), wk = 0.0033223 k( 45) = ( 0.0000000 0.2422554 0.3027322), wk = 0.0033223 k( 46) = ( 0.0000000 0.2550057 0.3027322), wk = 0.0033223 k( 47) = ( 0.0000000 0.2677560 0.3027322), wk = 0.0033223 k( 48) = ( 0.0000000 0.2805063 0.3027322), wk = 0.0033223 k( 49) = ( 0.0000000 0.2932565 0.3027322), wk = 0.0033223 k( 50) = ( 0.0000000 0.3060068 0.3027322), wk = 0.0033223 k( 51) = ( 0.0000000 0.3187571 0.3027322), wk = 0.0033223 k( 52) = ( 0.0000000 0.3315074 0.3027322), wk = 0.0033223 k( 53) = ( 0.0000000 0.3442577 0.3027322), wk = 0.0033223 k( 54) = ( 0.0000000 0.3570080 0.3027322), wk = 0.0033223 k( 55) = ( 0.0000000 0.3697582 0.3027322), wk = 0.0033223 k( 56) = ( 0.0000000 0.3825085 0.3027322), wk = 0.0033223 k( 57) = ( 0.0000000 0.3952588 0.3027322), wk = 0.0033223 k( 58) = ( 0.0000000 0.4080091 0.3027322), wk = 0.0033223 k( 59) = ( 0.0000000 0.4207594 0.3027322), wk = 0.0033223 k( 60) = ( 0.0000000 0.4335097 0.3027322), wk = 0.0033223 k( 61) = ( 0.0000000 0.4462599 0.3027322), wk = 0.0033223 k( 62) = ( 0.0000000 0.4590102 0.3027322), wk = 0.0033223 k( 63) = ( 0.0000000 0.4590102 0.3027322), wk = 0.0033223 k( 64) = ( 0.0000000 0.4649263 0.2923463), wk = 0.0033223 k( 65) = ( 0.0000000 0.4708424 0.2819604), wk = 0.0033223 k( 66) = ( 0.0000000 0.4767585 0.2715745), wk = 0.0033223 k( 67) = ( 0.0000000 0.4767585 0.2715745), wk = 0.0033223 k( 68) = ( 0.0125000 0.4767585 0.2715745), wk = 0.0033223 k( 69) = ( 0.0250000 0.4767585 0.2715745), wk = 0.0033223 k( 70) = ( 0.0375000 0.4767585 0.2715745), wk = 0.0033223 k( 71) = ( 0.0500000 0.4767585 0.2715745), wk = 0.0033223 k( 72) = ( 0.0625000 0.4767585 0.2715745), wk = 0.0033223 k( 73) = ( 0.0750000 0.4767585 0.2715745), wk = 0.0033223 k( 74) = ( 0.0875000 0.4767585 0.2715745), wk = 0.0033223 k( 75) = ( 0.1000000 0.4767585 0.2715745), wk = 0.0033223 k( 76) = ( 0.1125000 0.4767585 0.2715745), wk = 0.0033223 k( 77) = ( 0.1250000 0.4767585 0.2715745), wk = 0.0033223 k( 78) = ( 0.1375000 0.4767585 0.2715745), wk = 0.0033223 k( 79) = ( 0.1500000 0.4767585 0.2715745), wk = 0.0033223 k( 80) = ( 0.1625000 0.4767585 0.2715745), wk = 0.0033223 k( 81) = ( 0.1750000 0.4767585 0.2715745), wk = 0.0033223 k( 82) = ( 0.1875000 0.4767585 0.2715745), wk = 0.0033223 k( 83) = ( 0.2000000 0.4767585 0.2715745), wk = 0.0033223 k( 84) = ( 0.2125000 0.4767585 0.2715745), wk = 0.0033223 k( 85) = ( 0.2250000 0.4767585 0.2715745), wk = 0.0033223 k( 86) = ( 0.2375000 0.4767585 0.2715745), wk = 0.0033223 k( 87) = ( 0.2500000 0.4767585 0.2715745), wk = 0.0033223 k( 88) = ( 0.2625000 0.4767585 0.2715745), wk = 0.0033223 k( 89) = ( 0.2750000 0.4767585 0.2715745), wk = 0.0033223 k( 90) = ( 0.2875000 0.4767585 0.2715745), wk = 0.0033223 k( 91) = ( 0.3000000 0.4767585 0.2715745), wk = 0.0033223 k( 92) = ( 0.3125000 0.4767585 0.2715745), wk = 0.0033223 k( 93) = ( 0.3250000 0.4767585 0.2715745), wk = 0.0033223 k( 94) = ( 0.3375000 0.4767585 0.2715745), wk = 0.0033223 k( 95) = ( 0.3500000 0.4767585 0.2715745), wk = 0.0033223 k( 96) = ( 0.3625000 0.4767585 0.2715745), wk = 0.0033223 k( 97) = ( 0.3750000 0.4767585 0.2715745), wk = 0.0033223 k( 98) = ( 0.3875000 0.4767585 0.2715745), wk = 0.0033223 k( 99) = ( 0.4000000 0.4767585 0.2715745), wk = 0.0033223 k( 100) = ( 0.4125000 0.4767585 0.2715745), wk = 0.0033223 k( 101) = ( 0.4250000 0.4767585 0.2715745), wk = 0.0033223 k( 102) = ( 0.4375000 0.4767585 0.2715745), wk = 0.0033223 k( 103) = ( 0.4500000 0.4767585 0.2715745), wk = 0.0033223 k( 104) = ( 0.4625000 0.4767585 0.2715745), wk = 0.0033223 k( 105) = ( 0.4750000 0.4767585 0.2715745), wk = 0.0033223 k( 106) = ( 0.4875000 0.4767585 0.2715745), wk = 0.0033223 k( 107) = ( 0.5000000 0.4767585 0.2715745), wk = 0.0033223 k( 108) = ( 0.5000000 0.4767585 0.2715745), wk = 0.0033223 k( 109) = ( 0.5000000 0.4826746 0.2611885), wk = 0.0033223 k( 110) = ( 0.5000000 0.4885907 0.2508026), wk = 0.0033223 k( 111) = ( 0.5000000 0.4945068 0.2404167), wk = 0.0033223 k( 112) = ( 0.5000000 0.4945068 0.2404167), wk = 0.0033223 k( 113) = ( 0.5000000 0.4937001 0.2280724), wk = 0.0033223 k( 114) = ( 0.5000000 0.4928933 0.2157281), wk = 0.0033223 k( 115) = ( 0.5000000 0.4920866 0.2033838), wk = 0.0033223 k( 116) = ( 0.5000000 0.4912799 0.1910395), wk = 0.0033223 k( 117) = ( 0.5000000 0.4904731 0.1786952), wk = 0.0033223 k( 118) = ( 0.5000000 0.4896664 0.1663509), wk = 0.0033223 k( 119) = ( 0.5000000 0.4888596 0.1540066), wk = 0.0033223 k( 120) = ( 0.5000000 0.4880529 0.1416623), wk = 0.0033223 k( 121) = ( 0.5000000 0.4872462 0.1293181), wk = 0.0033223 k( 122) = ( 0.5000000 0.4864394 0.1169738), wk = 0.0033223 k( 123) = ( 0.5000000 0.4856327 0.1046295), wk = 0.0033223 k( 124) = ( 0.5000000 0.4848259 0.0922852), wk = 0.0033223 k( 125) = ( 0.5000000 0.4840192 0.0799409), wk = 0.0033223 k( 126) = ( 0.5000000 0.4832125 0.0675966), wk = 0.0033223 k( 127) = ( 0.5000000 0.4824057 0.0552523), wk = 0.0033223 k( 128) = ( 0.5000000 0.4815990 0.0429080), wk = 0.0033223 k( 129) = ( 0.5000000 0.4807922 0.0305637), wk = 0.0033223 k( 130) = ( 0.5000000 0.4799855 0.0182194), wk = 0.0033223 k( 131) = ( 0.5000000 0.4791788 0.0058751), wk = 0.0033223 k( 132) = ( 0.5000000 0.4783720 -0.0064692), wk = 0.0033223 k( 133) = ( 0.5000000 0.4775653 -0.0188135), wk = 0.0033223 k( 134) = ( 0.5000000 0.4767585 -0.0311578), wk = 0.0033223 k( 135) = ( 0.5000000 0.4767585 -0.0311578), wk = 0.0033223 k( 136) = ( 0.4875000 0.4767585 -0.0311578), wk = 0.0033223 k( 137) = ( 0.4750000 0.4767585 -0.0311578), wk = 0.0033223 k( 138) = ( 0.4625000 0.4767585 -0.0311578), wk = 0.0033223 k( 139) = ( 0.4500000 0.4767585 -0.0311578), wk = 0.0033223 k( 140) = ( 0.4375000 0.4767585 -0.0311578), wk = 0.0033223 k( 141) = ( 0.4250000 0.4767585 -0.0311578), wk = 0.0033223 k( 142) = ( 0.4125000 0.4767585 -0.0311578), wk = 0.0033223 k( 143) = ( 0.4000000 0.4767585 -0.0311578), wk = 0.0033223 k( 144) = ( 0.3875000 0.4767585 -0.0311578), wk = 0.0033223 k( 145) = ( 0.3750000 0.4767585 -0.0311578), wk = 0.0033223 k( 146) = ( 0.3625000 0.4767585 -0.0311578), wk = 0.0033223 k( 147) = ( 0.3500000 0.4767585 -0.0311578), wk = 0.0033223 k( 148) = ( 0.3375000 0.4767585 -0.0311578), wk = 0.0033223 k( 149) = ( 0.3250000 0.4767585 -0.0311578), wk = 0.0033223 k( 150) = ( 0.3125000 0.4767585 -0.0311578), wk = 0.0033223 k( 151) = ( 0.3000000 0.4767585 -0.0311578), wk = 0.0033223 k( 152) = ( 0.2875000 0.4767585 -0.0311578), wk = 0.0033223 k( 153) = ( 0.2750000 0.4767585 -0.0311578), wk = 0.0033223 k( 154) = ( 0.2625000 0.4767585 -0.0311578), wk = 0.0033223 k( 155) = ( 0.2500000 0.4767585 -0.0311578), wk = 0.0033223 k( 156) = ( 0.2375000 0.4767585 -0.0311578), wk = 0.0033223 k( 157) = ( 0.2250000 0.4767585 -0.0311578), wk = 0.0033223 k( 158) = ( 0.2125000 0.4767585 -0.0311578), wk = 0.0033223 k( 159) = ( 0.2000000 0.4767585 -0.0311578), wk = 0.0033223 k( 160) = ( 0.1875000 0.4767585 -0.0311578), wk = 0.0033223 k( 161) = ( 0.1750000 0.4767585 -0.0311578), wk = 0.0033223 k( 162) = ( 0.1625000 0.4767585 -0.0311578), wk = 0.0033223 k( 163) = ( 0.1500000 0.4767585 -0.0311578), wk = 0.0033223 k( 164) = ( 0.1375000 0.4767585 -0.0311578), wk = 0.0033223 k( 165) = ( 0.1250000 0.4767585 -0.0311578), wk = 0.0033223 k( 166) = ( 0.1125000 0.4767585 -0.0311578), wk = 0.0033223 k( 167) = ( 0.1000000 0.4767585 -0.0311578), wk = 0.0033223 k( 168) = ( 0.0875000 0.4767585 -0.0311578), wk = 0.0033223 k( 169) = ( 0.0750000 0.4767585 -0.0311578), wk = 0.0033223 k( 170) = ( 0.0625000 0.4767585 -0.0311578), wk = 0.0033223 k( 171) = ( 0.0500000 0.4767585 -0.0311578), wk = 0.0033223 k( 172) = ( 0.0375000 0.4767585 -0.0311578), wk = 0.0033223 k( 173) = ( 0.0250000 0.4767585 -0.0311578), wk = 0.0033223 k( 174) = ( 0.0125000 0.4767585 -0.0311578), wk = 0.0033223 k( 175) = ( 0.0000000 0.4767585 -0.0311578), wk = 0.0033223 k( 176) = ( 0.0000000 0.4767585 -0.0311578), wk = 0.0033223 k( 177) = ( 0.0000000 0.4775653 -0.0188135), wk = 0.0033223 k( 178) = ( 0.0000000 0.4783720 -0.0064692), wk = 0.0033223 k( 179) = ( 0.0000000 0.4791788 0.0058751), wk = 0.0033223 k( 180) = ( 0.0000000 0.4799855 0.0182194), wk = 0.0033223 k( 181) = ( 0.0000000 0.4807922 0.0305637), wk = 0.0033223 k( 182) = ( 0.0000000 0.4815990 0.0429080), wk = 0.0033223 k( 183) = ( 0.0000000 0.4824057 0.0552523), wk = 0.0033223 k( 184) = ( 0.0000000 0.4832125 0.0675966), wk = 0.0033223 k( 185) = ( 0.0000000 0.4840192 0.0799409), wk = 0.0033223 k( 186) = ( 0.0000000 0.4848259 0.0922852), wk = 0.0033223 k( 187) = ( 0.0000000 0.4856327 0.1046295), wk = 0.0033223 k( 188) = ( 0.0000000 0.4864394 0.1169738), wk = 0.0033223 k( 189) = ( 0.0000000 0.4872462 0.1293181), wk = 0.0033223 k( 190) = ( 0.0000000 0.4880529 0.1416623), wk = 0.0033223 k( 191) = ( 0.0000000 0.4888596 0.1540066), wk = 0.0033223 k( 192) = ( 0.0000000 0.4896664 0.1663509), wk = 0.0033223 k( 193) = ( 0.0000000 0.4904731 0.1786952), wk = 0.0033223 k( 194) = ( 0.0000000 0.4912799 0.1910395), wk = 0.0033223 k( 195) = ( 0.0000000 0.4920866 0.2033838), wk = 0.0033223 k( 196) = ( 0.0000000 0.4928933 0.2157281), wk = 0.0033223 k( 197) = ( 0.0000000 0.4937001 0.2280724), wk = 0.0033223 k( 198) = ( 0.0000000 0.4945068 0.2404167), wk = 0.0033223 k( 199) = ( 0.5000000 0.4590102 0.3027322), wk = 0.0033223 k( 200) = ( 0.5000000 0.4462599 0.3027322), wk = 0.0033223 k( 201) = ( 0.5000000 0.4335097 0.3027322), wk = 0.0033223 k( 202) = ( 0.5000000 0.4207594 0.3027322), wk = 0.0033223 k( 203) = ( 0.5000000 0.4080091 0.3027322), wk = 0.0033223 k( 204) = ( 0.5000000 0.3952588 0.3027322), wk = 0.0033223 k( 205) = ( 0.5000000 0.3825085 0.3027322), wk = 0.0033223 k( 206) = ( 0.5000000 0.3697582 0.3027322), wk = 0.0033223 k( 207) = ( 0.5000000 0.3570080 0.3027322), wk = 0.0033223 k( 208) = ( 0.5000000 0.3442577 0.3027322), wk = 0.0033223 k( 209) = ( 0.5000000 0.3315074 0.3027322), wk = 0.0033223 k( 210) = ( 0.5000000 0.3187571 0.3027322), wk = 0.0033223 k( 211) = ( 0.5000000 0.3060068 0.3027322), wk = 0.0033223 k( 212) = ( 0.5000000 0.2932565 0.3027322), wk = 0.0033223 k( 213) = ( 0.5000000 0.2805063 0.3027322), wk = 0.0033223 k( 214) = ( 0.5000000 0.2677560 0.3027322), wk = 0.0033223 k( 215) = ( 0.5000000 0.2550057 0.3027322), wk = 0.0033223 k( 216) = ( 0.5000000 0.2422554 0.3027322), wk = 0.0033223 k( 217) = ( 0.5000000 0.2295051 0.3027322), wk = 0.0033223 k( 218) = ( 0.5000000 0.2167548 0.3027322), wk = 0.0033223 k( 219) = ( 0.5000000 0.2040045 0.3027322), wk = 0.0033223 k( 220) = ( 0.5000000 0.1912543 0.3027322), wk = 0.0033223 k( 221) = ( 0.5000000 0.1785040 0.3027322), wk = 0.0033223 k( 222) = ( 0.5000000 0.1657537 0.3027322), wk = 0.0033223 k( 223) = ( 0.5000000 0.1530034 0.3027322), wk = 0.0033223 k( 224) = ( 0.5000000 0.1402531 0.3027322), wk = 0.0033223 k( 225) = ( 0.5000000 0.1275028 0.3027322), wk = 0.0033223 k( 226) = ( 0.5000000 0.1147526 0.3027322), wk = 0.0033223 k( 227) = ( 0.5000000 0.1020023 0.3027322), wk = 0.0033223 k( 228) = ( 0.5000000 0.0892520 0.3027322), wk = 0.0033223 k( 229) = ( 0.5000000 0.0765017 0.3027322), wk = 0.0033223 k( 230) = ( 0.5000000 0.0637514 0.3027322), wk = 0.0033223 k( 231) = ( 0.5000000 0.0510011 0.3027322), wk = 0.0033223 k( 232) = ( 0.5000000 0.0382509 0.3027322), wk = 0.0033223 k( 233) = ( 0.5000000 0.0255006 0.3027322), wk = 0.0033223 k( 234) = ( 0.5000000 0.0127503 0.3027322), wk = 0.0033223 k( 235) = ( 0.5000000 -0.0000000 0.3027322), wk = 0.0033223 k( 236) = ( 0.5000000 -0.0000000 0.3027322), wk = 0.0033223 k( 237) = ( 0.5000000 -0.0000000 0.2901184), wk = 0.0033223 k( 238) = ( 0.5000000 -0.0000000 0.2775045), wk = 0.0033223 k( 239) = ( 0.5000000 -0.0000000 0.2648907), wk = 0.0033223 k( 240) = ( 0.5000000 -0.0000000 0.2522768), wk = 0.0033223 k( 241) = ( 0.5000000 -0.0000000 0.2396630), wk = 0.0033223 k( 242) = ( 0.5000000 -0.0000000 0.2270492), wk = 0.0033223 k( 243) = ( 0.5000000 -0.0000000 0.2144353), wk = 0.0033223 k( 244) = ( 0.5000000 -0.0000000 0.2018215), wk = 0.0033223 k( 245) = ( 0.5000000 -0.0000000 0.1892076), wk = 0.0033223 k( 246) = ( 0.5000000 -0.0000000 0.1765938), wk = 0.0033223 k( 247) = ( 0.5000000 -0.0000000 0.1639799), wk = 0.0033223 k( 248) = ( 0.5000000 -0.0000000 0.1513661), wk = 0.0033223 k( 249) = ( 0.5000000 -0.0000000 0.1387523), wk = 0.0033223 k( 250) = ( 0.5000000 -0.0000000 0.1261384), wk = 0.0033223 k( 251) = ( 0.5000000 -0.0000000 0.1135246), wk = 0.0033223 k( 252) = ( 0.5000000 -0.0000000 0.1009107), wk = 0.0033223 k( 253) = ( 0.5000000 -0.0000000 0.0882969), wk = 0.0033223 k( 254) = ( 0.5000000 -0.0000000 0.0756831), wk = 0.0033223 k( 255) = ( 0.5000000 -0.0000000 0.0630692), wk = 0.0033223 k( 256) = ( 0.5000000 -0.0000000 0.0504554), wk = 0.0033223 k( 257) = ( 0.5000000 -0.0000000 0.0378415), wk = 0.0033223 k( 258) = ( 0.5000000 -0.0000000 0.0252277), wk = 0.0033223 k( 259) = ( 0.5000000 -0.0000000 0.0126138), wk = 0.0033223 k( 260) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 261) = ( 0.0000000 0.0000000 0.3027322), wk = 0.0033223 k( 262) = ( 0.0125000 -0.0000000 0.3027322), wk = 0.0033223 k( 263) = ( 0.0250000 -0.0000000 0.3027322), wk = 0.0033223 k( 264) = ( 0.0375000 -0.0000000 0.3027322), wk = 0.0033223 k( 265) = ( 0.0500000 -0.0000000 0.3027322), wk = 0.0033223 k( 266) = ( 0.0625000 -0.0000000 0.3027322), wk = 0.0033223 k( 267) = ( 0.0750000 -0.0000000 0.3027322), wk = 0.0033223 k( 268) = ( 0.0875000 -0.0000000 0.3027322), wk = 0.0033223 k( 269) = ( 0.1000000 -0.0000000 0.3027322), wk = 0.0033223 k( 270) = ( 0.1125000 -0.0000000 0.3027322), wk = 0.0033223 k( 271) = ( 0.1250000 -0.0000000 0.3027322), wk = 0.0033223 k( 272) = ( 0.1375000 -0.0000000 0.3027322), wk = 0.0033223 k( 273) = ( 0.1500000 -0.0000000 0.3027322), wk = 0.0033223 k( 274) = ( 0.1625000 -0.0000000 0.3027322), wk = 0.0033223 k( 275) = ( 0.1750000 -0.0000000 0.3027322), wk = 0.0033223 k( 276) = ( 0.1875000 -0.0000000 0.3027322), wk = 0.0033223 k( 277) = ( 0.2000000 -0.0000000 0.3027322), wk = 0.0033223 k( 278) = ( 0.2125000 -0.0000000 0.3027322), wk = 0.0033223 k( 279) = ( 0.2250000 -0.0000000 0.3027322), wk = 0.0033223 k( 280) = ( 0.2375000 -0.0000000 0.3027322), wk = 0.0033223 k( 281) = ( 0.2500000 -0.0000000 0.3027322), wk = 0.0033223 k( 282) = ( 0.2625000 -0.0000000 0.3027322), wk = 0.0033223 k( 283) = ( 0.2750000 -0.0000000 0.3027322), wk = 0.0033223 k( 284) = ( 0.2875000 -0.0000000 0.3027322), wk = 0.0033223 k( 285) = ( 0.3000000 -0.0000000 0.3027322), wk = 0.0033223 k( 286) = ( 0.3125000 -0.0000000 0.3027322), wk = 0.0033223 k( 287) = ( 0.3250000 -0.0000000 0.3027322), wk = 0.0033223 k( 288) = ( 0.3375000 -0.0000000 0.3027322), wk = 0.0033223 k( 289) = ( 0.3500000 -0.0000000 0.3027322), wk = 0.0033223 k( 290) = ( 0.3625000 -0.0000000 0.3027322), wk = 0.0033223 k( 291) = ( 0.3750000 -0.0000000 0.3027322), wk = 0.0033223 k( 292) = ( 0.3875000 -0.0000000 0.3027322), wk = 0.0033223 k( 293) = ( 0.4000000 -0.0000000 0.3027322), wk = 0.0033223 k( 294) = ( 0.4125000 -0.0000000 0.3027322), wk = 0.0033223 k( 295) = ( 0.4250000 -0.0000000 0.3027322), wk = 0.0033223 k( 296) = ( 0.4375000 -0.0000000 0.3027322), wk = 0.0033223 k( 297) = ( 0.4500000 -0.0000000 0.3027322), wk = 0.0033223 k( 298) = ( 0.4625000 -0.0000000 0.3027322), wk = 0.0033223 k( 299) = ( 0.4750000 -0.0000000 0.3027322), wk = 0.0033223 k( 300) = ( 0.4875000 -0.0000000 0.3027322), wk = 0.0033223 k( 301) = ( 0.5000000 -0.0000000 0.3027322), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0033223 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0033223 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033223 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0033223 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033223 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0033223 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033223 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0033223 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0033223 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0033223 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0033223 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0033223 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0033223 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033223 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0033223 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033223 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0033223 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033223 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0033223 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0033223 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0033223 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.0133718 0.5013763), wk = 0.0033223 k( 28) = ( 0.0000000 0.0267437 0.5027525), wk = 0.0033223 k( 29) = ( 0.0000000 0.0401155 0.5041288), wk = 0.0033223 k( 30) = ( 0.0000000 0.0534874 0.5055050), wk = 0.0033223 k( 31) = ( 0.0000000 0.0668592 0.5068813), wk = 0.0033223 k( 32) = ( 0.0000000 0.0802311 0.5082575), wk = 0.0033223 k( 33) = ( 0.0000000 0.0936029 0.5096338), wk = 0.0033223 k( 34) = ( 0.0000000 0.1069748 0.5110100), wk = 0.0033223 k( 35) = ( 0.0000000 0.1203466 0.5123863), wk = 0.0033223 k( 36) = ( 0.0000000 0.1337185 0.5137626), wk = 0.0033223 k( 37) = ( 0.0000000 0.1470903 0.5151388), wk = 0.0033223 k( 38) = ( 0.0000000 0.1604622 0.5165151), wk = 0.0033223 k( 39) = ( 0.0000000 0.1738340 0.5178913), wk = 0.0033223 k( 40) = ( 0.0000000 0.1872059 0.5192676), wk = 0.0033223 k( 41) = ( 0.0000000 0.2005777 0.5206438), wk = 0.0033223 k( 42) = ( 0.0000000 0.2139495 0.5220201), wk = 0.0033223 k( 43) = ( 0.0000000 0.2273214 0.5233963), wk = 0.0033223 k( 44) = ( 0.0000000 0.2406932 0.5247726), wk = 0.0033223 k( 45) = ( 0.0000000 0.2540651 0.5261488), wk = 0.0033223 k( 46) = ( 0.0000000 0.2674369 0.5275251), wk = 0.0033223 k( 47) = ( 0.0000000 0.2808088 0.5289014), wk = 0.0033223 k( 48) = ( 0.0000000 0.2941806 0.5302776), wk = 0.0033223 k( 49) = ( 0.0000000 0.3075525 0.5316539), wk = 0.0033223 k( 50) = ( 0.0000000 0.3209243 0.5330301), wk = 0.0033223 k( 51) = ( 0.0000000 0.3342962 0.5344064), wk = 0.0033223 k( 52) = ( 0.0000000 0.3476680 0.5357826), wk = 0.0033223 k( 53) = ( 0.0000000 0.3610399 0.5371589), wk = 0.0033223 k( 54) = ( 0.0000000 0.3744117 0.5385351), wk = 0.0033223 k( 55) = ( 0.0000000 0.3877836 0.5399114), wk = 0.0033223 k( 56) = ( 0.0000000 0.4011554 0.5412877), wk = 0.0033223 k( 57) = ( 0.0000000 0.4145273 0.5426639), wk = 0.0033223 k( 58) = ( 0.0000000 0.4278991 0.5440402), wk = 0.0033223 k( 59) = ( 0.0000000 0.4412709 0.5454164), wk = 0.0033223 k( 60) = ( 0.0000000 0.4546428 0.5467927), wk = 0.0033223 k( 61) = ( 0.0000000 0.4680146 0.5481689), wk = 0.0033223 k( 62) = ( 0.0000000 0.4813865 0.5495452), wk = 0.0033223 k( 63) = ( 0.0000000 0.4813865 0.5495452), wk = 0.0033223 k( 64) = ( 0.0000000 0.4875910 0.5330301), wk = 0.0033223 k( 65) = ( 0.0000000 0.4937955 0.5165151), wk = 0.0033223 k( 66) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 67) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 68) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0033223 k( 69) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0033223 k( 70) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0033223 k( 71) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0033223 k( 72) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0033223 k( 73) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0033223 k( 74) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0033223 k( 75) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0033223 k( 76) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0033223 k( 77) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0033223 k( 78) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0033223 k( 79) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0033223 k( 80) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0033223 k( 81) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0033223 k( 82) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0033223 k( 83) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0033223 k( 84) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0033223 k( 85) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0033223 k( 86) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0033223 k( 87) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0033223 k( 88) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0033223 k( 89) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0033223 k( 90) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0033223 k( 91) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0033223 k( 92) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0033223 k( 93) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0033223 k( 94) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0033223 k( 95) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0033223 k( 96) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0033223 k( 97) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0033223 k( 98) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0033223 k( 99) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0033223 k( 100) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0033223 k( 101) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0033223 k( 102) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0033223 k( 103) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0033223 k( 104) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0033223 k( 105) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0033223 k( 106) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0033223 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 109) = ( 0.5000000 0.5062045 0.4834849), wk = 0.0033223 k( 110) = ( 0.5000000 0.5124090 0.4669699), wk = 0.0033223 k( 111) = ( 0.5000000 0.5186135 0.4504548), wk = 0.0033223 k( 112) = ( 0.5000000 0.5186135 0.4504548), wk = 0.0033223 k( 113) = ( 0.5000000 0.5177674 0.4299796), wk = 0.0033223 k( 114) = ( 0.5000000 0.5169214 0.4095044), wk = 0.0033223 k( 115) = ( 0.5000000 0.5160753 0.3890292), wk = 0.0033223 k( 116) = ( 0.5000000 0.5152292 0.3685539), wk = 0.0033223 k( 117) = ( 0.5000000 0.5143832 0.3480787), wk = 0.0033223 k( 118) = ( 0.5000000 0.5135371 0.3276035), wk = 0.0033223 k( 119) = ( 0.5000000 0.5126910 0.3071283), wk = 0.0033223 k( 120) = ( 0.5000000 0.5118450 0.2866531), wk = 0.0033223 k( 121) = ( 0.5000000 0.5109989 0.2661778), wk = 0.0033223 k( 122) = ( 0.5000000 0.5101528 0.2457026), wk = 0.0033223 k( 123) = ( 0.5000000 0.5093067 0.2252274), wk = 0.0033223 k( 124) = ( 0.5000000 0.5084607 0.2047522), wk = 0.0033223 k( 125) = ( 0.5000000 0.5076146 0.1842770), wk = 0.0033223 k( 126) = ( 0.5000000 0.5067685 0.1638018), wk = 0.0033223 k( 127) = ( 0.5000000 0.5059225 0.1433265), wk = 0.0033223 k( 128) = ( 0.5000000 0.5050764 0.1228513), wk = 0.0033223 k( 129) = ( 0.5000000 0.5042303 0.1023761), wk = 0.0033223 k( 130) = ( 0.5000000 0.5033843 0.0819009), wk = 0.0033223 k( 131) = ( 0.5000000 0.5025382 0.0614257), wk = 0.0033223 k( 132) = ( 0.5000000 0.5016921 0.0409504), wk = 0.0033223 k( 133) = ( 0.5000000 0.5008461 0.0204752), wk = 0.0033223 k( 134) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 135) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 136) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0033223 k( 137) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0033223 k( 138) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0033223 k( 139) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0033223 k( 140) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0033223 k( 141) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0033223 k( 142) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0033223 k( 143) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0033223 k( 144) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0033223 k( 145) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0033223 k( 146) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0033223 k( 147) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0033223 k( 148) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0033223 k( 149) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0033223 k( 150) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0033223 k( 151) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0033223 k( 152) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0033223 k( 153) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0033223 k( 154) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0033223 k( 155) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0033223 k( 156) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0033223 k( 157) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0033223 k( 158) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0033223 k( 159) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0033223 k( 160) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0033223 k( 161) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0033223 k( 162) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0033223 k( 163) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0033223 k( 164) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0033223 k( 165) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0033223 k( 166) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0033223 k( 167) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0033223 k( 168) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0033223 k( 169) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0033223 k( 170) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0033223 k( 171) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0033223 k( 172) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0033223 k( 173) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0033223 k( 174) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0033223 k( 175) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 176) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 177) = ( 0.0000000 0.5008461 0.0204752), wk = 0.0033223 k( 178) = ( 0.0000000 0.5016921 0.0409504), wk = 0.0033223 k( 179) = ( 0.0000000 0.5025382 0.0614257), wk = 0.0033223 k( 180) = ( 0.0000000 0.5033843 0.0819009), wk = 0.0033223 k( 181) = ( 0.0000000 0.5042303 0.1023761), wk = 0.0033223 k( 182) = ( 0.0000000 0.5050764 0.1228513), wk = 0.0033223 k( 183) = ( 0.0000000 0.5059225 0.1433265), wk = 0.0033223 k( 184) = ( 0.0000000 0.5067685 0.1638017), wk = 0.0033223 k( 185) = ( 0.0000000 0.5076146 0.1842770), wk = 0.0033223 k( 186) = ( 0.0000000 0.5084607 0.2047522), wk = 0.0033223 k( 187) = ( 0.0000000 0.5093068 0.2252274), wk = 0.0033223 k( 188) = ( 0.0000000 0.5101528 0.2457026), wk = 0.0033223 k( 189) = ( 0.0000000 0.5109989 0.2661778), wk = 0.0033223 k( 190) = ( 0.0000000 0.5118450 0.2866531), wk = 0.0033223 k( 191) = ( 0.0000000 0.5126910 0.3071283), wk = 0.0033223 k( 192) = ( 0.0000000 0.5135371 0.3276035), wk = 0.0033223 k( 193) = ( 0.0000000 0.5143832 0.3480787), wk = 0.0033223 k( 194) = ( 0.0000000 0.5152292 0.3685539), wk = 0.0033223 k( 195) = ( 0.0000000 0.5160753 0.3890292), wk = 0.0033223 k( 196) = ( 0.0000000 0.5169214 0.4095044), wk = 0.0033223 k( 197) = ( 0.0000000 0.5177674 0.4299796), wk = 0.0033223 k( 198) = ( 0.0000000 0.5186135 0.4504548), wk = 0.0033223 k( 199) = ( 0.5000000 0.4813865 0.5495452), wk = 0.0033223 k( 200) = ( 0.5000000 0.4680146 0.5481689), wk = 0.0033223 k( 201) = ( 0.5000000 0.4546428 0.5467927), wk = 0.0033223 k( 202) = ( 0.5000000 0.4412709 0.5454164), wk = 0.0033223 k( 203) = ( 0.5000000 0.4278991 0.5440402), wk = 0.0033223 k( 204) = ( 0.5000000 0.4145273 0.5426639), wk = 0.0033223 k( 205) = ( 0.5000000 0.4011554 0.5412877), wk = 0.0033223 k( 206) = ( 0.5000000 0.3877836 0.5399114), wk = 0.0033223 k( 207) = ( 0.5000000 0.3744117 0.5385351), wk = 0.0033223 k( 208) = ( 0.5000000 0.3610399 0.5371589), wk = 0.0033223 k( 209) = ( 0.5000000 0.3476680 0.5357826), wk = 0.0033223 k( 210) = ( 0.5000000 0.3342962 0.5344064), wk = 0.0033223 k( 211) = ( 0.5000000 0.3209243 0.5330301), wk = 0.0033223 k( 212) = ( 0.5000000 0.3075525 0.5316539), wk = 0.0033223 k( 213) = ( 0.5000000 0.2941806 0.5302776), wk = 0.0033223 k( 214) = ( 0.5000000 0.2808088 0.5289014), wk = 0.0033223 k( 215) = ( 0.5000000 0.2674369 0.5275251), wk = 0.0033223 k( 216) = ( 0.5000000 0.2540651 0.5261488), wk = 0.0033223 k( 217) = ( 0.5000000 0.2406932 0.5247726), wk = 0.0033223 k( 218) = ( 0.5000000 0.2273214 0.5233963), wk = 0.0033223 k( 219) = ( 0.5000000 0.2139495 0.5220201), wk = 0.0033223 k( 220) = ( 0.5000000 0.2005777 0.5206438), wk = 0.0033223 k( 221) = ( 0.5000000 0.1872059 0.5192676), wk = 0.0033223 k( 222) = ( 0.5000000 0.1738340 0.5178913), wk = 0.0033223 k( 223) = ( 0.5000000 0.1604622 0.5165151), wk = 0.0033223 k( 224) = ( 0.5000000 0.1470903 0.5151388), wk = 0.0033223 k( 225) = ( 0.5000000 0.1337185 0.5137625), wk = 0.0033223 k( 226) = ( 0.5000000 0.1203466 0.5123863), wk = 0.0033223 k( 227) = ( 0.5000000 0.1069748 0.5110100), wk = 0.0033223 k( 228) = ( 0.5000000 0.0936029 0.5096338), wk = 0.0033223 k( 229) = ( 0.5000000 0.0802311 0.5082575), wk = 0.0033223 k( 230) = ( 0.5000000 0.0668592 0.5068813), wk = 0.0033223 k( 231) = ( 0.5000000 0.0534874 0.5055050), wk = 0.0033223 k( 232) = ( 0.5000000 0.0401155 0.5041288), wk = 0.0033223 k( 233) = ( 0.5000000 0.0267437 0.5027525), wk = 0.0033223 k( 234) = ( 0.5000000 0.0133718 0.5013763), wk = 0.0033223 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 237) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0033223 k( 238) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0033223 k( 239) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0033223 k( 240) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033223 k( 241) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0033223 k( 242) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033223 k( 243) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0033223 k( 244) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033223 k( 245) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0033223 k( 246) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0033223 k( 247) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0033223 k( 248) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033223 k( 249) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0033223 k( 250) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0033223 k( 251) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0033223 k( 252) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033223 k( 253) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0033223 k( 254) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033223 k( 255) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0033223 k( 256) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033223 k( 257) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0033223 k( 258) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0033223 k( 259) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0033223 k( 260) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 262) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0033223 k( 263) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0033223 k( 264) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0033223 k( 265) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0033223 k( 266) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0033223 k( 267) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0033223 k( 268) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0033223 k( 269) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0033223 k( 270) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0033223 k( 271) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033223 k( 272) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0033223 k( 273) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0033223 k( 274) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0033223 k( 275) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0033223 k( 276) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0033223 k( 277) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0033223 k( 278) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0033223 k( 279) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0033223 k( 280) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0033223 k( 281) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033223 k( 282) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0033223 k( 283) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0033223 k( 284) = ( 0.2875000 0.0000000 0.5000000), wk = 0.0033223 k( 285) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0033223 k( 286) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0033223 k( 287) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0033223 k( 288) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0033223 k( 289) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0033223 k( 290) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0033223 k( 291) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0033223 k( 292) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0033223 k( 293) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0033223 k( 294) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0033223 k( 295) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0033223 k( 296) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0033223 k( 297) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0033223 k( 298) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0033223 k( 299) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0033223 k( 300) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0033223 k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 Dense grid: 74793 G-vectors FFT dimensions: ( 45, 45, 75) Smooth grid: 33089 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 188, 76) NL pseudopotentials 0.24 Mb ( 94, 168) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1556) G-vector shells 0.01 Mb ( 1530) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.87 Mb ( 188, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.3 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.6 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.2 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.7 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 87.3 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.9 secs Computing kpt #: 8 total cpu time spent up to now is 104.2 secs Computing kpt #: 9 total cpu time spent up to now is 112.0 secs Computing kpt #: 10 total cpu time spent up to now is 119.5 secs Computing kpt #: 11 total cpu time spent up to now is 126.7 secs Computing kpt #: 12 total cpu time spent up to now is 132.9 secs Computing kpt #: 13 total cpu time spent up to now is 140.3 secs Computing kpt #: 14 total cpu time spent up to now is 147.6 secs Computing kpt #: 15 total cpu time spent up to now is 155.0 secs Computing kpt #: 16 total cpu time spent up to now is 162.4 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.9 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.4 secs Computing kpt #: 19 total cpu time spent up to now is 187.5 secs Computing kpt #: 20 total cpu time spent up to now is 193.6 secs Computing kpt #: 21 total cpu time spent up to now is 198.9 secs Computing kpt #: 22 total cpu time spent up to now is 204.1 secs Computing kpt #: 23 total cpu time spent up to now is 209.1 secs Computing kpt #: 24 total cpu time spent up to now is 213.9 secs Computing kpt #: 25 total cpu time spent up to now is 218.7 secs Computing kpt #: 26 total cpu time spent up to now is 223.6 secs Computing kpt #: 27 total cpu time spent up to now is 228.6 secs Computing kpt #: 28 total cpu time spent up to now is 233.7 secs Computing kpt #: 29 total cpu time spent up to now is 238.9 secs Computing kpt #: 30 total cpu time spent up to now is 244.1 secs Computing kpt #: 31 total cpu time spent up to now is 250.0 secs Computing kpt #: 32 total cpu time spent up to now is 255.6 secs Computing kpt #: 33 total cpu time spent up to now is 261.4 secs Computing kpt #: 34 total cpu time spent up to now is 266.9 secs Computing kpt #: 35 total cpu time spent up to now is 272.2 secs Computing kpt #: 36 total cpu time spent up to now is 277.6 secs Computing kpt #: 37 total cpu time spent up to now is 282.9 secs Computing kpt #: 38 total cpu time spent up to now is 288.2 secs Computing kpt #: 39 total cpu time spent up to now is 293.4 secs Computing kpt #: 40 total cpu time spent up to now is 298.5 secs Computing kpt #: 41 total cpu time spent up to now is 303.5 secs Computing kpt #: 42 total cpu time spent up to now is 308.6 secs Computing kpt #: 43 total cpu time spent up to now is 313.6 secs Computing kpt #: 44 total cpu time spent up to now is 318.6 secs Computing kpt #: 45 total cpu time spent up to now is 323.8 secs Computing kpt #: 46 total cpu time spent up to now is 329.5 secs Computing kpt #: 47 total cpu time spent up to now is 335.0 secs Computing kpt #: 48 total cpu time spent up to now is 340.8 secs Computing kpt #: 49 total cpu time spent up to now is 347.7 secs Computing kpt #: 50 total cpu time spent up to now is 355.1 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.8 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 372.4 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.0 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 389.8 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.4 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 407.1 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.0 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.9 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.5 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.1 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 450.7 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.2 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.7 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 476.2 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 484.7 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.8 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 500.8 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.3 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 517.9 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 526.6 secs Computing kpt #: 71 total cpu time spent up to now is 534.9 secs Computing kpt #: 72 total cpu time spent up to now is 541.9 secs Computing kpt #: 73 total cpu time spent up to now is 548.8 secs Computing kpt #: 74 total cpu time spent up to now is 555.3 secs Computing kpt #: 75 total cpu time spent up to now is 561.5 secs Computing kpt #: 76 total cpu time spent up to now is 567.3 secs Computing kpt #: 77 total cpu time spent up to now is 573.2 secs Computing kpt #: 78 total cpu time spent up to now is 579.0 secs Computing kpt #: 79 total cpu time spent up to now is 584.5 secs Computing kpt #: 80 total cpu time spent up to now is 590.2 secs Computing kpt #: 81 total cpu time spent up to now is 595.7 secs Computing kpt #: 82 total cpu time spent up to now is 601.0 secs Computing kpt #: 83 total cpu time spent up to now is 606.0 secs Computing kpt #: 84 total cpu time spent up to now is 611.2 secs Computing kpt #: 85 total cpu time spent up to now is 616.4 secs Computing kpt #: 86 total cpu time spent up to now is 621.5 secs Computing kpt #: 87 total cpu time spent up to now is 626.3 secs Computing kpt #: 88 total cpu time spent up to now is 631.4 secs Computing kpt #: 89 total cpu time spent up to now is 636.6 secs Computing kpt #: 90 total cpu time spent up to now is 641.8 secs Computing kpt #: 91 total cpu time spent up to now is 647.1 secs Computing kpt #: 92 total cpu time spent up to now is 652.1 secs Computing kpt #: 93 total cpu time spent up to now is 657.4 secs Computing kpt #: 94 total cpu time spent up to now is 662.8 secs Computing kpt #: 95 total cpu time spent up to now is 667.9 secs Computing kpt #: 96 total cpu time spent up to now is 673.0 secs Computing kpt #: 97 total cpu time spent up to now is 678.2 secs Computing kpt #: 98 total cpu time spent up to now is 683.1 secs Computing kpt #: 99 total cpu time spent up to now is 688.1 secs Computing kpt #: 100 total cpu time spent up to now is 693.2 secs Computing kpt #: 101 total cpu time spent up to now is 698.0 secs Computing kpt #: 102 total cpu time spent up to now is 703.0 secs Computing kpt #: 103 total cpu time spent up to now is 707.8 secs Computing kpt #: 104 total cpu time spent up to now is 712.6 secs Computing kpt #: 105 total cpu time spent up to now is 717.4 secs Computing kpt #: 106 total cpu time spent up to now is 722.1 secs Computing kpt #: 107 total cpu time spent up to now is 726.9 secs Computing kpt #: 108 total cpu time spent up to now is 731.5 secs Computing kpt #: 109 total cpu time spent up to now is 736.3 secs Computing kpt #: 110 total cpu time spent up to now is 741.1 secs Computing kpt #: 111 total cpu time spent up to now is 745.9 secs Computing kpt #: 112 total cpu time spent up to now is 750.8 secs Computing kpt #: 113 total cpu time spent up to now is 755.7 secs Computing kpt #: 114 total cpu time spent up to now is 760.6 secs Computing kpt #: 115 total cpu time spent up to now is 765.5 secs Computing kpt #: 116 total cpu time spent up to now is 770.3 secs Computing kpt #: 117 total cpu time spent up to now is 775.2 secs Computing kpt #: 118 total cpu time spent up to now is 780.2 secs Computing kpt #: 119 total cpu time spent up to now is 785.0 secs Computing kpt #: 120 total cpu time spent up to now is 789.7 secs Computing kpt #: 121 total cpu time spent up to now is 794.4 secs Computing kpt #: 122 total cpu time spent up to now is 799.1 secs Computing kpt #: 123 total cpu time spent up to now is 803.7 secs Computing kpt #: 124 total cpu time spent up to now is 808.4 secs Computing kpt #: 125 total cpu time spent up to now is 813.0 secs Computing kpt #: 126 total cpu time spent up to now is 817.6 secs Computing kpt #: 127 total cpu time spent up to now is 822.2 secs Computing kpt #: 128 total cpu time spent up to now is 826.8 secs Computing kpt #: 129 total cpu time spent up to now is 831.4 secs Computing kpt #: 130 total cpu time spent up to now is 836.0 secs Computing kpt #: 131 total cpu time spent up to now is 840.6 secs Computing kpt #: 132 total cpu time spent up to now is 845.2 secs Computing kpt #: 133 total cpu time spent up to now is 849.7 secs Computing kpt #: 134 total cpu time spent up to now is 854.2 secs Computing kpt #: 135 total cpu time spent up to now is 858.6 secs Computing kpt #: 136 total cpu time spent up to now is 863.2 secs Computing kpt #: 137 total cpu time spent up to now is 867.7 secs Computing kpt #: 138 total cpu time spent up to now is 872.3 secs Computing kpt #: 139 total cpu time spent up to now is 876.9 secs Computing kpt #: 140 total cpu time spent up to now is 881.5 secs Computing kpt #: 141 total cpu time spent up to now is 886.0 secs Computing kpt #: 142 total cpu time spent up to now is 890.6 secs Computing kpt #: 143 total cpu time spent up to now is 895.4 secs Computing kpt #: 144 total cpu time spent up to now is 899.9 secs Computing kpt #: 145 total cpu time spent up to now is 904.5 secs Computing kpt #: 146 total cpu time spent up to now is 909.4 secs Computing kpt #: 147 total cpu time spent up to now is 914.0 secs Computing kpt #: 148 total cpu time spent up to now is 918.4 secs Computing kpt #: 149 total cpu time spent up to now is 923.0 secs Computing kpt #: 150 total cpu time spent up to now is 927.8 secs Computing kpt #: 151 total cpu time spent up to now is 932.4 secs Computing kpt #: 152 total cpu time spent up to now is 937.2 secs Computing kpt #: 153 total cpu time spent up to now is 941.9 secs Computing kpt #: 154 total cpu time spent up to now is 946.5 secs Computing kpt #: 155 total cpu time spent up to now is 951.1 secs Computing kpt #: 156 total cpu time spent up to now is 955.8 secs Computing kpt #: 157 total cpu time spent up to now is 960.5 secs Computing kpt #: 158 total cpu time spent up to now is 965.1 secs Computing kpt #: 159 total cpu time spent up to now is 969.8 secs Computing kpt #: 160 total cpu time spent up to now is 974.4 secs Computing kpt #: 161 total cpu time spent up to now is 979.1 secs Computing kpt #: 162 total cpu time spent up to now is 984.0 secs Computing kpt #: 163 total cpu time spent up to now is 988.7 secs Computing kpt #: 164 total cpu time spent up to now is 993.3 secs Computing kpt #: 165 total cpu time spent up to now is 998.0 secs Computing kpt #: 166 total cpu time spent up to now is 1002.8 secs Computing kpt #: 167 total cpu time spent up to now is 1007.5 secs Computing kpt #: 168 total cpu time spent up to now is 1012.1 secs Computing kpt #: 169 total cpu time spent up to now is 1016.9 secs Computing kpt #: 170 total cpu time spent up to now is 1021.6 secs Computing kpt #: 171 total cpu time spent up to now is 1026.2 secs Computing kpt #: 172 total cpu time spent up to now is 1030.9 secs Computing kpt #: 173 total cpu time spent up to now is 1035.6 secs Computing kpt #: 174 total cpu time spent up to now is 1040.3 secs Computing kpt #: 175 total cpu time spent up to now is 1045.3 secs Computing kpt #: 176 total cpu time spent up to now is 1050.2 secs Computing kpt #: 177 total cpu time spent up to now is 1055.0 secs Computing kpt #: 178 total cpu time spent up to now is 1060.1 secs Computing kpt #: 179 total cpu time spent up to now is 1065.0 secs Computing kpt #: 180 total cpu time spent up to now is 1070.2 secs Computing kpt #: 181 total cpu time spent up to now is 1075.5 secs Computing kpt #: 182 total cpu time spent up to now is 1080.9 secs Computing kpt #: 183 total cpu time spent up to now is 1086.1 secs Computing kpt #: 184 total cpu time spent up to now is 1091.4 secs Computing kpt #: 185 total cpu time spent up to now is 1097.7 secs Computing kpt #: 186 total cpu time spent up to now is 1105.2 secs Computing kpt #: 187 total cpu time spent up to now is 1113.0 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1121.6 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1130.3 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1138.9 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1147.5 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1156.3 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1164.8 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1173.5 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1182.0 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1190.6 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1199.2 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1207.9 secs Computing kpt #: 199 total cpu time spent up to now is 1212.8 secs Computing kpt #: 200 total cpu time spent up to now is 1217.9 secs Computing kpt #: 201 total cpu time spent up to now is 1223.0 secs Computing kpt #: 202 total cpu time spent up to now is 1227.9 secs Computing kpt #: 203 total cpu time spent up to now is 1233.1 secs Computing kpt #: 204 total cpu time spent up to now is 1238.3 secs Computing kpt #: 205 total cpu time spent up to now is 1243.2 secs Computing kpt #: 206 total cpu time spent up to now is 1248.2 secs Computing kpt #: 207 total cpu time spent up to now is 1253.0 secs Computing kpt #: 208 total cpu time spent up to now is 1258.0 secs Computing kpt #: 209 total cpu time spent up to now is 1262.8 secs Computing kpt #: 210 total cpu time spent up to now is 1267.6 secs Computing kpt #: 211 total cpu time spent up to now is 1272.4 secs Computing kpt #: 212 total cpu time spent up to now is 1277.1 secs Computing kpt #: 213 total cpu time spent up to now is 1281.8 secs Computing kpt #: 214 total cpu time spent up to now is 1286.6 secs Computing kpt #: 215 total cpu time spent up to now is 1291.5 secs Computing kpt #: 216 total cpu time spent up to now is 1296.2 secs Computing kpt #: 217 total cpu time spent up to now is 1300.9 secs Computing kpt #: 218 total cpu time spent up to now is 1305.8 secs Computing kpt #: 219 total cpu time spent up to now is 1310.5 secs Computing kpt #: 220 total cpu time spent up to now is 1315.4 secs Computing kpt #: 221 total cpu time spent up to now is 1320.3 secs Computing kpt #: 222 total cpu time spent up to now is 1325.1 secs Computing kpt #: 223 total cpu time spent up to now is 1330.2 secs Computing kpt #: 224 total cpu time spent up to now is 1335.1 secs Computing kpt #: 225 total cpu time spent up to now is 1340.1 secs Computing kpt #: 226 total cpu time spent up to now is 1345.5 secs Computing kpt #: 227 total cpu time spent up to now is 1351.1 secs Computing kpt #: 228 total cpu time spent up to now is 1356.7 secs Computing kpt #: 229 total cpu time spent up to now is 1362.4 secs Computing kpt #: 230 total cpu time spent up to now is 1369.0 secs Computing kpt #: 231 total cpu time spent up to now is 1376.1 secs Computing kpt #: 232 total cpu time spent up to now is 1383.3 secs Computing kpt #: 233 total cpu time spent up to now is 1391.1 secs Computing kpt #: 234 total cpu time spent up to now is 1398.8 secs Computing kpt #: 235 total cpu time spent up to now is 1406.3 secs Computing kpt #: 236 total cpu time spent up to now is 1413.8 secs Computing kpt #: 237 total cpu time spent up to now is 1421.8 secs Computing kpt #: 238 total cpu time spent up to now is 1430.0 secs Computing kpt #: 239 total cpu time spent up to now is 1437.8 secs Computing kpt #: 240 total cpu time spent up to now is 1444.8 secs Computing kpt #: 241 total cpu time spent up to now is 1452.0 secs Computing kpt #: 242 total cpu time spent up to now is 1458.2 secs Computing kpt #: 243 total cpu time spent up to now is 1463.8 secs Computing kpt #: 244 total cpu time spent up to now is 1469.1 secs Computing kpt #: 245 total cpu time spent up to now is 1474.2 secs Computing kpt #: 246 total cpu time spent up to now is 1479.3 secs Computing kpt #: 247 total cpu time spent up to now is 1484.9 secs Computing kpt #: 248 total cpu time spent up to now is 1490.0 secs Computing kpt #: 249 total cpu time spent up to now is 1495.1 secs Computing kpt #: 250 total cpu time spent up to now is 1500.6 secs Computing kpt #: 251 total cpu time spent up to now is 1505.5 secs Computing kpt #: 252 total cpu time spent up to now is 1510.7 secs Computing kpt #: 253 total cpu time spent up to now is 1516.1 secs Computing kpt #: 254 total cpu time spent up to now is 1521.6 secs Computing kpt #: 255 total cpu time spent up to now is 1527.3 secs Computing kpt #: 256 total cpu time spent up to now is 1532.9 secs Computing kpt #: 257 total cpu time spent up to now is 1538.7 secs Computing kpt #: 258 total cpu time spent up to now is 1544.6 secs Computing kpt #: 259 total cpu time spent up to now is 1550.3 secs Computing kpt #: 260 total cpu time spent up to now is 1556.1 secs Computing kpt #: 261 total cpu time spent up to now is 1561.2 secs Computing kpt #: 262 total cpu time spent up to now is 1566.0 secs Computing kpt #: 263 total cpu time spent up to now is 1571.0 secs Computing kpt #: 264 total cpu time spent up to now is 1575.9 secs Computing kpt #: 265 total cpu time spent up to now is 1580.8 secs Computing kpt #: 266 total cpu time spent up to now is 1585.7 secs Computing kpt #: 267 total cpu time spent up to now is 1590.6 secs Computing kpt #: 268 total cpu time spent up to now is 1595.5 secs Computing kpt #: 269 total cpu time spent up to now is 1600.6 secs Computing kpt #: 270 total cpu time spent up to now is 1605.6 secs Computing kpt #: 271 total cpu time spent up to now is 1610.6 secs Computing kpt #: 272 total cpu time spent up to now is 1616.0 secs Computing kpt #: 273 total cpu time spent up to now is 1621.3 secs Computing kpt #: 274 total cpu time spent up to now is 1626.6 secs Computing kpt #: 275 total cpu time spent up to now is 1631.7 secs Computing kpt #: 276 total cpu time spent up to now is 1637.0 secs Computing kpt #: 277 total cpu time spent up to now is 1642.4 secs Computing kpt #: 278 total cpu time spent up to now is 1647.5 secs Computing kpt #: 279 total cpu time spent up to now is 1653.0 secs Computing kpt #: 280 total cpu time spent up to now is 1659.0 secs Computing kpt #: 281 total cpu time spent up to now is 1665.0 secs Computing kpt #: 282 total cpu time spent up to now is 1670.4 secs Computing kpt #: 283 total cpu time spent up to now is 1676.1 secs Computing kpt #: 284 total cpu time spent up to now is 1682.8 secs Computing kpt #: 285 total cpu time spent up to now is 1689.5 secs Computing kpt #: 286 total cpu time spent up to now is 1696.6 secs Computing kpt #: 287 total cpu time spent up to now is 1703.5 secs Computing kpt #: 288 total cpu time spent up to now is 1710.7 secs Computing kpt #: 289 total cpu time spent up to now is 1717.6 secs Computing kpt #: 290 total cpu time spent up to now is 1724.9 secs Computing kpt #: 291 total cpu time spent up to now is 1732.6 secs Computing kpt #: 292 total cpu time spent up to now is 1739.8 secs Computing kpt #: 293 total cpu time spent up to now is 1747.5 secs Computing kpt #: 294 total cpu time spent up to now is 1754.8 secs Computing kpt #: 295 total cpu time spent up to now is 1762.0 secs Computing kpt #: 296 total cpu time spent up to now is 1768.9 secs Computing kpt #: 297 total cpu time spent up to now is 1776.2 secs Computing kpt #: 298 total cpu time spent up to now is 1783.8 secs Computing kpt #: 299 total cpu time spent up to now is 1791.0 secs Computing kpt #: 300 total cpu time spent up to now is 1798.5 secs Computing kpt #: 301 total cpu time spent up to now is 1806.0 secs ethr = 1.56E-11, avg # of iterations = 63.7 total cpu time spent up to now is 1806.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4141 PWs) bands (ev): -14.1229 -14.1229 -13.1605 -13.1605 -12.0541 -12.0541 -11.1889 -11.1889 -11.1488 -11.1488 -10.9871 -10.9871 -10.6681 -10.6681 -10.2178 -10.2178 -2.1006 -2.1006 -1.9580 -1.9580 -0.1630 -0.1630 0.1701 0.1701 0.5117 0.5117 0.6010 0.6010 1.5028 1.5028 1.7117 1.7117 2.3557 2.3557 2.7583 2.7583 3.0178 3.0178 3.0354 3.0354 3.8746 3.8746 4.1242 4.1242 4.4085 4.4085 4.4789 4.4789 4.7869 4.7869 4.8653 4.8653 5.5669 5.5669 5.6093 5.6093 5.6868 5.6868 6.2451 6.2451 6.8819 6.8819 6.9707 6.9707 10.8468 10.8468 11.3721 11.3721 14.8525 14.8525 15.0225 15.0225 15.9011 15.9011 16.7281 16.7281 k = 0.0000 0.0000 0.0126 ( 4139 PWs) bands (ev): -14.1222 -14.1222 -13.1625 -13.1625 -12.0521 -12.0520 -11.1895 -11.1894 -11.1487 -11.1487 -10.9873 -10.9872 -10.6677 -10.6677 -10.2184 -10.2184 -2.1006 -2.1005 -1.9582 -1.9582 -0.1625 -0.1624 0.1698 0.1698 0.5116 0.5116 0.6007 0.6008 1.5024 1.5027 1.7106 1.7107 2.3563 2.3564 2.7591 2.7592 3.0195 3.0195 3.0370 3.0372 3.8743 3.8744 4.1240 4.1240 4.4073 4.4074 4.4787 4.4788 4.7863 4.7867 4.8649 4.8652 5.5645 5.5652 5.6079 5.6084 5.6879 5.6887 6.2444 6.2446 6.8817 6.8819 6.9698 6.9698 10.8495 10.8496 11.3739 11.3741 14.8530 14.8531 15.0243 15.0245 15.9028 15.9031 16.7246 16.7253 k = 0.0000 0.0000 0.0252 ( 4143 PWs) bands (ev): -14.1202 -14.1202 -13.1686 -13.1685 -12.0461 -12.0460 -11.1910 -11.1910 -11.1481 -11.1481 -10.9877 -10.9876 -10.6666 -10.6666 -10.2200 -10.2200 -2.1005 -2.1004 -1.9590 -1.9589 -0.1611 -0.1610 0.1689 0.1690 0.5114 0.5114 0.5998 0.5999 1.5016 1.5022 1.7073 1.7076 2.3583 2.3585 2.7617 2.7619 3.0246 3.0247 3.0419 3.0425 3.8737 3.8738 4.1234 4.1235 4.4038 4.4039 4.4784 4.4786 4.7848 4.7855 4.8640 4.8645 5.5583 5.5595 5.6040 5.6051 5.6920 5.6934 6.2425 6.2428 6.8814 6.8818 6.9670 6.9672 10.8577 10.8578 11.3793 11.3797 14.8545 14.8547 15.0298 15.0302 15.9081 15.9086 16.7126 16.7154 k = 0.0000 0.0000 0.0378 ( 4135 PWs) bands (ev): -14.1168 -14.1168 -13.1785 -13.1783 -12.0363 -12.0361 -11.1937 -11.1936 -11.1472 -11.1472 -10.9885 -10.9883 -10.6647 -10.6646 -10.2228 -10.2227 -2.1003 -2.1003 -1.9602 -1.9601 -0.1588 -0.1585 0.1674 0.1677 0.5110 0.5111 0.5984 0.5985 1.5002 1.5011 1.7019 1.7024 2.3617 2.3621 2.7660 2.7663 3.0330 3.0331 3.0501 3.0509 3.8727 3.8729 4.1224 4.1225 4.3981 4.3983 4.4779 4.4782 4.7824 4.7834 4.8627 4.8635 5.5489 5.5506 5.5979 5.5994 5.6984 5.7002 6.2394 6.2399 6.8810 6.8815 6.9625 6.9628 10.8712 10.8714 11.3883 11.3889 14.8571 14.8573 15.0390 15.0397 15.9170 15.9177 16.6646 16.6749 k = 0.0000 0.0000 0.0505 ( 4141 PWs) bands (ev): -14.1121 -14.1121 -13.1920 -13.1918 -12.0230 -12.0227 -11.1973 -11.1972 -11.1459 -11.1459 -10.9895 -10.9893 -10.6621 -10.6620 -10.2266 -10.2265 -2.1000 -2.1000 -1.9619 -1.9617 -0.1555 -0.1551 0.1655 0.1658 0.5105 0.5106 0.5963 0.5965 1.4984 1.4996 1.6947 1.6952 2.3668 2.3673 2.7721 2.7724 3.0444 3.0447 3.0611 3.0622 3.8713 3.8716 4.1207 4.1210 4.3906 4.3909 4.4771 4.4775 4.7791 4.7805 4.8609 4.8620 5.5372 5.5391 5.5894 5.5914 5.7064 5.7085 6.2352 6.2357 6.8804 6.8811 6.9565 6.9568 10.8899 10.8902 11.4006 11.4014 14.8607 14.8611 15.0518 15.0527 15.9293 15.9302 16.6053 16.6157 k = 0.0000 0.0000 0.0631 ( 4139 PWs) bands (ev): -14.1061 -14.1061 -13.2088 -13.2086 -12.0064 -12.0060 -11.2020 -11.2019 -11.1442 -11.1442 -10.9909 -10.9905 -10.6587 -10.6586 -10.2315 -10.2314 -2.0997 -2.0996 -1.9640 -1.9639 -0.1513 -0.1508 0.1630 0.1634 0.5099 0.5100 0.5937 0.5939 1.4961 1.4975 1.6857 1.6863 2.3735 2.3742 2.7799 2.7801 3.0587 3.0591 3.0748 3.0760 3.8695 3.8699 4.1183 4.1187 4.3817 4.3822 4.4761 4.4766 4.7749 4.7766 4.8588 4.8601 5.5235 5.5255 5.5785 5.5811 5.7157 5.7178 6.2298 6.2305 6.8796 6.8805 6.9491 6.9495 10.9135 10.9138 11.4161 11.4171 14.8655 14.8659 15.0681 15.0691 15.9449 15.9460 16.5445 16.5550 k = 0.0000 0.0000 0.0757 ( 4128 PWs) bands (ev): -14.0987 -14.0987 -13.2285 -13.2283 -11.9869 -11.9864 -11.2078 -11.2076 -11.1422 -11.1422 -10.9925 -10.9921 -10.6545 -10.6544 -10.2374 -10.2373 -2.0992 -2.0992 -1.9666 -1.9664 -0.1462 -0.1456 0.1600 0.1605 0.5092 0.5093 0.5905 0.5908 1.4934 1.4950 1.6751 1.6759 2.3822 2.3829 2.7893 2.7895 3.0756 3.0760 3.0905 3.0919 3.8675 3.8680 4.1147 4.1152 4.3722 4.3727 4.4748 4.4753 4.7698 4.7718 4.8564 4.8578 5.5084 5.5104 5.5654 5.5685 5.7258 5.7280 6.2233 6.2241 6.8787 6.8797 6.9406 6.9411 10.9417 10.9421 11.4345 11.4356 14.8714 14.8719 15.0876 15.0889 15.9635 15.9649 16.4832 16.4937 k = 0.0000 0.0000 0.0883 ( 4132 PWs) bands (ev): -14.0901 -14.0900 -13.2509 -13.2506 -11.9649 -11.9644 -11.2146 -11.2143 -11.1399 -11.1398 -10.9944 -10.9940 -10.6496 -10.6495 -10.2443 -10.2442 -2.0987 -2.0986 -1.9696 -1.9694 -0.1402 -0.1395 0.1566 0.1571 0.5083 0.5085 0.5869 0.5871 1.4902 1.4921 1.6632 1.6642 2.3929 2.3937 2.8002 2.8004 3.0945 3.0950 3.1080 3.1094 3.8653 3.8658 4.1096 4.1104 4.3626 4.3633 4.4730 4.4737 4.7638 4.7661 4.8537 4.8553 5.4921 5.4940 5.5499 5.5535 5.7365 5.7387 6.2158 6.2167 6.8775 6.8787 6.9312 6.9319 10.9741 10.9745 11.4553 11.4566 14.8784 14.8790 15.1101 15.1117 15.9849 15.9865 16.4219 16.4323 k = 0.0000 0.0000 0.1009 ( 4122 PWs) bands (ev): -14.0801 -14.0800 -13.2754 -13.2751 -11.9407 -11.9402 -11.2223 -11.2221 -11.1372 -11.1371 -10.9966 -10.9961 -10.6440 -10.6438 -10.2522 -10.2520 -2.0979 -2.0978 -1.9730 -1.9728 -0.1334 -0.1326 0.1528 0.1534 0.5074 0.5076 0.5827 0.5830 1.4867 1.4887 1.6503 1.6513 2.4058 2.4066 2.8125 2.8126 3.1152 3.1158 3.1267 3.1282 3.8628 3.8635 4.1025 4.1036 4.3538 4.3548 4.4709 4.4716 4.7570 4.7596 4.8508 4.8527 5.4748 5.4766 5.5323 5.5364 5.7478 5.7499 6.2073 6.2083 6.8761 6.8775 6.9213 6.9221 11.0103 11.0107 11.4781 11.4795 14.8867 14.8874 15.1354 15.1372 16.0086 16.0104 16.3609 16.3712 k = 0.0000 0.0000 0.1135 ( 4121 PWs) bands (ev): -14.0688 -14.0687 -13.3018 -13.3015 -11.9148 -11.9142 -11.2312 -11.2310 -11.1342 -11.1341 -10.9990 -10.9985 -10.6376 -10.6374 -10.2610 -10.2608 -2.0970 -2.0969 -1.9768 -1.9765 -0.1257 -0.1249 0.1486 0.1493 0.5063 0.5066 0.5780 0.5784 1.4828 1.4850 1.6365 1.6377 2.4209 2.4216 2.8257 2.8258 3.1372 3.1379 3.1463 3.1478 3.8603 3.8611 4.0932 4.0946 4.3467 4.3479 4.4682 4.4691 4.7494 4.7524 4.8479 4.8499 5.4568 5.4584 5.5127 5.5172 5.7597 5.7616 6.1980 6.1990 6.8745 6.8760 6.9111 6.9120 11.0498 11.0502 11.5025 11.5040 14.8962 14.8970 15.1630 15.1652 16.0344 16.0364 16.3007 16.3109 k = 0.0000 0.0000 0.1261 ( 4119 PWs) bands (ev): -14.0563 -14.0562 -13.3297 -13.3294 -11.8875 -11.8869 -11.2410 -11.2408 -11.1309 -11.1308 -11.0018 -11.0013 -10.6305 -10.6302 -10.2707 -10.2705 -2.0960 -2.0958 -1.9809 -1.9806 -0.1174 -0.1165 0.1441 0.1448 0.5053 0.5055 0.5730 0.5733 1.4787 1.4810 1.6222 1.6234 2.4382 2.4390 2.8395 2.8397 3.1600 3.1608 3.1664 3.1679 3.8577 3.8587 4.0814 4.0831 4.3418 4.3432 4.4649 4.4659 4.7413 4.7445 4.8449 4.8472 5.4382 5.4396 5.4911 5.4961 5.7719 5.7737 6.1877 6.1889 6.8726 6.8741 6.9009 6.9019 11.0921 11.0925 11.5279 11.5295 14.9071 14.9079 15.1926 15.1951 16.0617 16.0638 16.2415 16.2518 k = 0.0000 0.0000 0.1388 ( 4117 PWs) bands (ev): -14.0425 -14.0424 -13.3589 -13.3586 -11.8591 -11.8584 -11.2519 -11.2517 -11.1273 -11.1272 -11.0048 -11.0043 -10.6226 -10.6223 -10.2813 -10.2811 -2.0947 -2.0945 -1.9853 -1.9850 -0.1084 -0.1074 0.1391 0.1399 0.5041 0.5044 0.5675 0.5679 1.4745 1.4769 1.6075 1.6088 2.4579 2.4586 2.8535 2.8539 3.1830 3.1837 3.1872 3.1884 3.8553 3.8564 4.0671 4.0691 4.3397 4.3412 4.4611 4.4622 4.7327 4.7362 4.8421 4.8444 5.4192 5.4204 5.4679 5.4732 5.7847 5.7863 6.1767 6.1779 6.8704 6.8720 6.8910 6.8920 11.1367 11.1371 11.5537 11.5554 14.9194 14.9202 15.2235 15.2264 16.0898 16.0920 16.1840 16.1942 k = 0.0000 0.0000 0.1514 ( 4121 PWs) bands (ev): -14.0274 -14.0273 -13.3890 -13.3887 -11.8298 -11.8292 -11.2638 -11.2636 -11.1234 -11.1233 -11.0081 -11.0075 -10.6140 -10.6137 -10.2926 -10.2924 -2.0932 -2.0930 -1.9900 -1.9897 -0.0987 -0.0977 0.1339 0.1347 0.5030 0.5032 0.5618 0.5622 1.4703 1.4727 1.5927 1.5941 2.4797 2.4803 2.8673 2.8678 3.2046 3.2047 3.2095 3.2099 3.8530 3.8543 4.0506 4.0529 4.3404 4.3420 4.4566 4.4578 4.7239 4.7277 4.8393 4.8417 5.3999 5.4008 5.4432 5.4489 5.7979 5.7994 6.1650 6.1662 6.8678 6.8695 6.8816 6.8828 11.1830 11.1834 11.5793 11.5811 14.9332 14.9341 15.2550 15.2583 16.1178 16.1187 16.1299 16.1391 k = 0.0000 0.0000 0.1640 ( 4120 PWs) bands (ev): -14.0111 -14.0110 -13.4198 -13.4195 -11.8001 -11.7994 -11.2767 -11.2766 -11.1192 -11.1192 -11.0116 -11.0111 -10.6048 -10.6044 -10.3047 -10.3044 -2.0915 -2.0913 -1.9950 -1.9946 -0.0885 -0.0874 0.1283 0.1291 0.5019 0.5021 0.5559 0.5563 1.4661 1.4686 1.5779 1.5794 2.5035 2.5041 2.8802 2.8810 3.2240 3.2243 3.2323 3.2326 3.8510 3.8525 4.0324 4.0350 4.3438 4.3453 4.4516 4.4529 4.7152 4.7192 4.8366 4.8391 5.3805 5.3811 5.4175 5.4236 5.8117 5.8129 6.1526 6.1538 6.8647 6.8665 6.8731 6.8745 11.2305 11.2309 11.6042 11.6060 14.9487 14.9495 15.2863 15.2900 16.0756 16.0863 16.1457 16.1476 k = 0.0000 0.0000 0.1766 ( 4122 PWs) bands (ev): -13.9936 -13.9935 -13.4512 -13.4509 -11.7700 -11.7693 -11.2907 -11.2905 -11.1149 -11.1148 -11.0154 -11.0149 -10.5948 -10.5944 -10.3174 -10.3171 -2.0895 -2.0893 -2.0001 -1.9998 -0.0778 -0.0767 0.1223 0.1232 0.5008 0.5010 0.5499 0.5503 1.4622 1.4647 1.5635 1.5650 2.5293 2.5298 2.8917 2.8926 3.2424 3.2426 3.2545 3.2551 3.8494 3.8512 4.0133 4.0161 4.3493 4.3508 4.4460 4.4474 4.7071 4.7114 4.8338 4.8364 5.3612 5.3616 5.3912 5.3975 5.8259 5.8269 6.1396 6.1408 6.8606 6.8622 6.8663 6.8679 11.2786 11.2789 11.6276 11.6294 14.9658 14.9667 15.3160 15.3202 16.0273 16.0381 16.1708 16.1720 k = 0.0000 0.0000 0.1892 ( 4132 PWs) bands (ev): -13.9749 -13.9748 -13.4829 -13.4825 -11.7398 -11.7391 -11.3056 -11.3056 -11.1103 -11.1103 -11.0194 -11.0189 -10.5841 -10.5838 -10.3307 -10.3304 -2.0872 -2.0870 -2.0055 -2.0051 -0.0667 -0.0655 0.1160 0.1169 0.4998 0.5000 0.5439 0.5442 1.4587 1.4611 1.5495 1.5511 2.5568 2.5571 2.9011 2.9022 3.2598 3.2599 3.2756 3.2763 3.8484 3.8504 3.9938 3.9969 4.3565 4.3577 4.4400 4.4415 4.7000 4.7045 4.8310 4.8335 5.3422 5.3422 5.3647 5.3713 5.8405 5.8413 6.1260 6.1272 6.8550 6.8565 6.8616 6.8635 11.3267 11.3269 11.6489 11.6507 14.9848 14.9856 15.3425 15.3472 15.9844 15.9954 16.1916 16.1916 k = 0.0000 0.0000 0.2018 ( 4129 PWs) bands (ev): -13.9551 -13.9549 -13.5147 -13.5143 -11.7096 -11.7090 -11.3217 -11.3216 -11.1055 -11.1055 -11.0237 -11.0232 -10.5729 -10.5725 -10.3445 -10.3441 -2.0847 -2.0844 -2.0109 -2.0105 -0.0552 -0.0540 0.1092 0.1102 0.4989 0.4991 0.5379 0.5382 1.4556 1.4581 1.5361 1.5377 2.5857 2.5859 2.9078 2.9090 3.2760 3.2762 3.2952 3.2960 3.8480 3.8502 3.9747 3.9780 4.3645 4.3656 4.4337 4.4353 4.6946 4.6992 4.8277 4.8302 5.3234 5.3237 5.3387 5.3455 5.8555 5.8562 6.1119 6.1130 6.8494 6.8509 6.8579 6.8599 11.3741 11.3743 11.6674 11.6692 15.0057 15.0065 15.3640 15.3691 15.9490 15.9600 16.2032 16.2051 k = 0.0000 0.0000 0.2144 ( 4127 PWs) bands (ev): -13.9341 -13.9339 -13.5464 -13.5461 -11.6798 -11.6791 -11.3387 -11.3387 -11.1006 -11.1005 -11.0281 -11.0276 -10.5610 -10.5606 -10.3587 -10.3584 -2.0818 -2.0816 -2.0164 -2.0161 -0.0435 -0.0422 0.1020 0.1031 0.4982 0.4984 0.5321 0.5324 1.4532 1.4557 1.5234 1.5251 2.6157 2.6158 2.9112 2.9126 3.2911 3.2915 3.3126 3.3135 3.8483 3.8507 3.9565 3.9599 4.3726 4.3735 4.4274 4.4290 4.6915 4.6962 4.8238 4.8261 5.3053 5.3060 5.3139 5.3207 5.8710 5.8715 6.0973 6.0984 6.8444 6.8459 6.8544 6.8565 11.4204 11.4205 11.6827 11.6845 15.0287 15.0294 15.3781 15.3833 15.9231 15.9341 16.2039 16.2076 k = 0.0000 0.0000 0.2270 ( 4129 PWs) bands (ev): -13.9120 -13.9119 -13.5781 -13.5778 -11.6503 -11.6497 -11.3568 -11.3568 -11.0955 -11.0955 -11.0328 -11.0323 -10.5485 -10.5481 -10.3733 -10.3730 -2.0787 -2.0784 -2.0220 -2.0216 -0.0316 -0.0303 0.0944 0.0955 0.4977 0.4979 0.5265 0.5268 1.4515 1.4540 1.5115 1.5133 2.6466 2.6466 2.9109 2.9123 3.3051 3.3057 3.3277 3.3287 3.8493 3.8521 3.9396 3.9432 4.3801 4.3809 4.4213 4.4230 4.6912 4.6959 4.8188 4.8209 5.2880 5.2892 5.2911 5.2979 5.8868 5.8871 6.0823 6.0833 6.8403 6.8420 6.8511 6.8531 11.4649 11.4649 11.6942 11.6959 15.0538 15.0543 15.3828 15.3880 15.9088 15.9194 16.1934 16.1983 k = 0.0000 0.0000 0.2397 ( 4129 PWs) bands (ev): -13.8889 -13.8887 -13.6094 -13.6091 -11.6213 -11.6207 -11.3760 -11.3759 -11.0903 -11.0902 -11.0376 -11.0372 -10.5355 -10.5351 -10.3882 -10.3879 -2.0753 -2.0750 -2.0275 -2.0272 -0.0197 -0.0184 0.0862 0.0874 0.4975 0.4977 0.5213 0.5216 1.4507 1.4531 1.5005 1.5024 2.6777 2.6779 2.9064 2.9078 3.3178 3.3186 3.3401 3.3412 3.8512 3.8542 3.9244 3.9281 4.3864 4.3872 4.4157 4.4173 4.6943 4.6988 4.8124 4.8141 5.2703 5.2728 5.2735 5.2778 5.9029 5.9031 6.0668 6.0678 6.8372 6.8390 6.8478 6.8499 11.5069 11.5071 11.7014 11.7029 15.0811 15.0814 15.3772 15.3820 15.9067 15.9167 16.1743 16.1797 k = 0.0000 0.0000 0.2523 ( 4132 PWs) bands (ev): -13.8648 -13.8646 -13.6404 -13.6401 -11.5929 -11.5924 -11.3962 -11.3960 -11.0851 -11.0849 -11.0426 -11.0422 -10.5220 -10.5216 -10.4033 -10.4029 -2.0715 -2.0713 -2.0331 -2.0327 -0.0077 -0.0064 0.0776 0.0788 0.4977 0.4979 0.5166 0.5168 1.4508 1.4531 1.4906 1.4925 2.7089 2.7092 2.8977 2.8991 3.3294 3.3303 3.3497 3.3508 3.8540 3.8572 3.9109 3.9147 4.3913 4.3920 4.4107 4.4124 4.7008 4.7050 4.8043 4.8055 5.2534 5.2584 5.2587 5.2616 5.9193 5.9193 6.0510 6.0520 6.8351 6.8369 6.8447 6.8467 11.5460 11.5463 11.7039 11.7054 15.1104 15.1106 15.3619 15.3659 15.9163 15.9254 16.1495 16.1550 k = 0.0000 0.0000 0.2649 ( 4131 PWs) bands (ev): -13.8396 -13.8394 -13.6709 -13.6706 -11.5652 -11.5647 -11.4174 -11.4172 -11.0797 -11.0795 -11.0477 -11.0473 -10.5081 -10.5076 -10.4186 -10.4182 -2.0675 -2.0672 -2.0385 -2.0381 0.0041 0.0054 0.0685 0.0697 0.4983 0.4984 0.5123 0.5125 1.4519 1.4542 1.4817 1.4837 2.7396 2.7401 2.8848 2.8861 3.3395 3.3406 3.3563 3.3574 3.8575 3.8609 3.8992 3.9031 4.3946 4.3954 4.4066 4.4082 4.7107 4.7144 4.7943 4.7949 5.2403 5.2459 5.2463 5.2493 5.9357 5.9359 6.0350 6.0358 6.8339 6.8358 6.8417 6.8438 11.5817 11.5821 11.7015 11.7028 15.1417 15.1417 15.3385 15.3418 15.9353 15.9436 16.1209 16.1264 k = 0.0000 0.0000 0.2775 ( 4130 PWs) bands (ev): -13.8135 -13.8133 -13.7009 -13.7006 -11.5383 -11.5379 -11.4397 -11.4394 -11.0743 -11.0741 -11.0529 -11.0525 -10.4937 -10.4933 -10.4338 -10.4334 -2.0633 -2.0629 -2.0438 -2.0435 0.0157 0.0170 0.0588 0.0600 0.4993 0.4994 0.5086 0.5087 1.4540 1.4563 1.4739 1.4759 2.7693 2.7700 2.8679 2.8692 3.3479 3.3491 3.3599 3.3611 3.8619 3.8654 3.8892 3.8931 4.3968 4.3977 4.4034 4.4050 4.7232 4.7263 4.7823 4.7824 5.2314 5.2366 5.2367 5.2399 5.9523 5.9526 6.0187 6.0194 6.8336 6.8355 6.8391 6.8412 11.6134 11.6140 11.6940 11.6952 15.1744 15.1748 15.3095 15.3120 15.9611 15.9685 16.0897 16.0954 k = 0.0000 0.0000 0.2901 ( 4139 PWs) bands (ev): -13.7866 -13.7863 -13.7302 -13.7299 -11.5123 -11.5119 -11.4629 -11.4626 -11.0689 -11.0687 -11.0582 -11.0579 -10.4791 -10.4786 -10.4490 -10.4486 -2.0587 -2.0584 -2.0490 -2.0486 0.0270 0.0284 0.0487 0.0499 0.5008 0.5009 0.5055 0.5055 1.4573 1.4595 1.4672 1.4693 2.7976 2.7984 2.8474 2.8485 3.3545 3.3557 3.3607 3.3619 3.8671 3.8708 3.8806 3.8845 4.3982 4.3993 4.4011 4.4025 4.7376 4.7400 4.7681 4.7689 5.2268 5.2298 5.2317 5.2336 5.9689 5.9693 6.0022 6.0028 6.8341 6.8360 6.8369 6.8390 11.6408 11.6415 11.6813 11.6823 15.2084 15.2091 15.2771 15.2789 15.9913 15.9980 16.0570 16.0628 k = 0.0000 0.0000 0.3027 ( 4142 PWs) bands (ev): -13.7587 -13.7587 -13.7585 -13.7585 -11.4871 -11.4871 -11.4868 -11.4868 -11.0635 -11.0635 -11.0633 -11.0633 -10.4642 -10.4642 -10.4637 -10.4637 -2.0540 -2.0540 -2.0536 -2.0536 0.0381 0.0381 0.0393 0.0393 0.5029 0.5029 0.5029 0.5029 1.4617 1.4617 1.4638 1.4638 2.8238 2.8238 2.8248 2.8248 3.3588 3.3588 3.3600 3.3600 3.8733 3.8733 3.8771 3.8771 4.3995 4.3995 4.4008 4.4008 4.7529 4.7529 4.7545 4.7545 5.2264 5.2264 5.2307 5.2307 5.9856 5.9856 5.9861 5.9861 6.8352 6.8352 6.8372 6.8372 11.6636 11.6636 11.6644 11.6644 15.2429 15.2429 15.2441 15.2441 16.0237 16.0237 16.0300 16.0300 k = 0.0000 0.0000 0.3027 ( 4142 PWs) bands (ev): -13.7587 -13.7587 -13.7585 -13.7585 -11.4871 -11.4871 -11.4868 -11.4868 -11.0635 -11.0635 -11.0633 -11.0633 -10.4642 -10.4642 -10.4637 -10.4637 -2.0540 -2.0540 -2.0536 -2.0536 0.0381 0.0381 0.0393 0.0393 0.5029 0.5029 0.5029 0.5029 1.4617 1.4617 1.4638 1.4638 2.8238 2.8238 2.8248 2.8248 3.3588 3.3588 3.3600 3.3600 3.8733 3.8733 3.8771 3.8771 4.3995 4.3995 4.4008 4.4008 4.7529 4.7529 4.7545 4.7545 5.2264 5.2264 5.2307 5.2307 5.9856 5.9856 5.9861 5.9861 6.8352 6.8352 6.8372 6.8372 11.6636 11.6636 11.6644 11.6644 15.2429 15.2429 15.2441 15.2441 16.0237 16.0237 16.0300 16.0300 k = 0.0000 0.0128 0.3027 ( 4142 PWs) bands (ev): -13.7625 -13.7623 -13.7537 -13.7535 -11.4948 -11.4945 -11.4800 -11.4796 -11.0672 -11.0669 -11.0614 -11.0611 -10.4654 -10.4650 -10.4630 -10.4625 -2.0670 -2.0667 -2.0387 -2.0383 0.0111 0.0123 0.0625 0.0639 0.5004 0.5004 0.5082 0.5082 1.4484 1.4507 1.4743 1.4763 2.7999 2.8010 2.8474 2.8483 3.3389 3.3402 3.3780 3.3792 3.8551 3.8587 3.8894 3.8934 4.3618 4.3627 4.4319 4.4336 4.7471 4.7478 4.7651 4.7676 5.2171 5.2218 5.2358 5.2397 5.9841 5.9846 5.9868 5.9874 6.8290 6.8310 6.8419 6.8439 11.6650 11.6659 11.6667 11.6675 15.2410 15.2426 15.2449 15.2458 16.0193 16.0251 16.0282 16.0347 k = 0.0000 0.0255 0.3027 ( 4141 PWs) bands (ev): -13.7651 -13.7649 -13.7474 -13.7472 -11.5030 -11.5027 -11.4732 -11.4728 -11.0724 -11.0722 -11.0607 -11.0604 -10.4668 -10.4663 -10.4618 -10.4614 -2.0779 -2.0775 -2.0213 -2.0210 -0.0177 -0.0166 0.0836 0.0851 0.5003 0.5003 0.5168 0.5169 1.4348 1.4372 1.4860 1.4879 2.7760 2.7771 2.8708 2.8716 3.3186 3.3199 3.3964 3.3974 3.8354 3.8386 3.9030 3.9072 4.3206 4.3213 4.4572 4.4593 4.7487 4.7490 4.7822 4.7854 5.2081 5.2131 5.2451 5.2487 5.9823 5.9827 5.9878 5.9884 6.8233 6.8253 6.8490 6.8510 11.6712 11.6721 11.6745 11.6753 15.2392 15.2411 15.2470 15.2476 16.0141 16.0195 16.0334 16.0401 k = 0.0000 0.0383 0.3027 ( 4143 PWs) bands (ev): -13.7664 -13.7662 -13.7398 -13.7396 -11.5118 -11.5115 -11.4669 -11.4665 -11.0792 -11.0790 -11.0614 -11.0611 -10.4682 -10.4678 -10.4606 -10.4602 -2.0864 -2.0860 -2.0018 -2.0015 -0.0477 -0.0466 0.1007 0.1024 0.5020 0.5020 0.5293 0.5295 1.4210 1.4236 1.4967 1.4984 2.7521 2.7532 2.8936 2.8943 3.2979 3.2992 3.4136 3.4143 3.8145 3.8173 3.9139 3.9182 4.2774 4.2779 4.4743 4.4767 4.7583 4.7593 4.8030 4.8068 5.1996 5.2050 5.2543 5.2576 5.9801 5.9805 5.9886 5.9893 6.8182 6.8202 6.8565 6.8585 11.6819 11.6829 11.6869 11.6877 15.2376 15.2398 15.2491 15.2493 16.0074 16.0122 16.0397 16.0466 k = 0.0000 0.0510 0.3027 ( 4140 PWs) bands (ev): -13.7666 -13.7664 -13.7310 -13.7307 -11.5212 -11.5209 -11.4610 -11.4606 -11.0876 -11.0874 -11.0635 -11.0631 -10.4699 -10.4695 -10.4594 -10.4590 -2.0925 -2.0922 -1.9804 -1.9802 -0.0784 -0.0774 0.1133 0.1152 0.5051 0.5052 0.5460 0.5462 1.4075 1.4103 1.5062 1.5078 2.7284 2.7294 2.9158 2.9163 3.2772 3.2783 3.4292 3.4295 3.7932 3.7955 3.9216 3.9261 4.2334 4.2339 4.4833 4.4858 4.7756 4.7773 4.8264 4.8309 5.1922 5.1979 5.2634 5.2664 5.9777 5.9780 5.9892 5.9900 6.8136 6.8156 6.8644 6.8664 11.6973 11.6983 11.7040 11.7047 15.2361 15.2387 15.2509 15.2511 15.9985 16.0026 16.0475 16.0545 k = 0.0000 0.0638 0.3027 ( 4144 PWs) bands (ev): -13.7655 -13.7653 -13.7209 -13.7206 -11.5313 -11.5310 -11.4555 -11.4551 -11.0975 -11.0973 -11.0667 -11.0663 -10.4717 -10.4713 -10.4581 -10.4577 -2.0963 -2.0960 -1.9572 -1.9570 -0.1092 -0.1083 0.1212 0.1232 0.5093 0.5094 0.5667 0.5671 1.3945 1.3974 1.5143 1.5158 2.7048 2.7058 2.9370 2.9373 3.2565 3.2574 3.4421 3.4423 3.7726 3.7742 3.9256 3.9303 4.1900 4.1905 4.4857 4.4880 4.7986 4.8006 4.8518 4.8567 5.1866 5.1925 5.2725 5.2751 5.9749 5.9753 5.9896 5.9905 6.8095 6.8115 6.8726 6.8745 11.7171 11.7182 11.7256 11.7262 15.2348 15.2376 15.2522 15.2528 15.9869 15.9902 16.0571 16.0641 k = 0.0000 0.0765 0.3027 ( 4141 PWs) bands (ev): -13.7633 -13.7631 -13.7095 -13.7092 -11.5421 -11.5419 -11.4505 -11.4501 -11.1090 -11.1088 -11.0710 -11.0706 -10.4737 -10.4733 -10.4567 -10.4563 -2.0978 -2.0975 -1.9323 -1.9322 -0.1400 -0.1391 0.1243 0.1264 0.5143 0.5145 0.5914 0.5918 1.3824 1.3855 1.5210 1.5224 2.6816 2.6826 2.9568 2.9568 3.2362 3.2369 3.4513 3.4522 3.7537 3.7545 3.9251 3.9300 4.1485 4.1492 4.4833 4.4853 4.8243 4.8264 4.8781 4.8836 5.1835 5.1896 5.2816 5.2839 5.9719 5.9722 5.9900 5.9909 6.8059 6.8079 6.8809 6.8828 11.7415 11.7425 11.7517 11.7523 15.2337 15.2367 15.2532 15.2542 15.9726 15.9749 16.0685 16.0756 k = 0.0000 0.0893 0.3027 ( 4132 PWs) bands (ev): -13.7600 -13.7598 -13.6968 -13.6965 -11.5538 -11.5537 -11.4459 -11.4455 -11.1218 -11.1217 -11.0763 -11.0758 -10.4758 -10.4755 -10.4552 -10.4548 -2.0968 -2.0965 -1.9059 -1.9058 -0.1703 -0.1694 0.1228 0.1251 0.5199 0.5202 0.6194 0.6199 1.3716 1.3748 1.5262 1.5275 2.6589 2.6598 2.9743 2.9746 3.2170 3.2174 3.4557 3.4575 3.7378 3.7381 3.9189 3.9242 4.1108 4.1118 4.4777 4.4792 4.8499 4.8519 4.9049 4.9107 5.1841 5.1903 5.2908 5.2928 5.9688 5.9691 5.9901 5.9911 6.8028 6.8048 6.8895 6.8913 11.7702 11.7713 11.7823 11.7828 15.2326 15.2359 15.2536 15.2550 15.9558 15.9573 16.0820 16.0890 k = 0.0000 0.1020 0.3027 ( 4128 PWs) bands (ev): -13.7556 -13.7554 -13.6828 -13.6826 -11.5665 -11.5664 -11.4418 -11.4415 -11.1360 -11.1359 -11.0825 -11.0820 -10.4782 -10.4779 -10.4536 -10.4532 -2.0936 -2.0933 -1.8782 -1.8781 -0.1998 -0.1989 0.1170 0.1195 0.5258 0.5263 0.6500 0.6506 1.3625 1.3657 1.5299 1.5311 2.6367 2.6375 2.9885 2.9893 3.1997 3.1998 3.4543 3.4570 3.7257 3.7270 3.9057 3.9113 4.0788 4.0801 4.4700 4.4710 4.8729 4.8746 4.9313 4.9375 5.1895 5.1956 5.3002 5.3020 5.9657 5.9660 5.9901 5.9912 6.8001 6.8020 6.8981 6.8999 11.8033 11.8044 11.8173 11.8177 15.2315 15.2350 15.2533 15.2550 15.9373 15.9380 16.0975 16.1045 k = 0.0000 0.1148 0.3027 ( 4130 PWs) bands (ev): -13.7502 -13.7500 -13.6676 -13.6674 -11.5802 -11.5801 -11.4383 -11.4380 -11.1514 -11.1512 -11.0893 -11.0888 -10.4808 -10.4805 -10.4518 -10.4514 -2.0879 -2.0877 -1.8492 -1.8492 -0.2284 -0.2275 0.1074 0.1100 0.5320 0.5326 0.6826 0.6833 1.3553 1.3586 1.5321 1.5332 2.6151 2.6158 2.9981 2.9993 3.1854 3.1857 3.4460 3.4496 3.7192 3.7215 3.8846 3.8904 4.0540 4.0555 4.4609 4.4615 4.8914 4.8926 4.9567 4.9633 5.2009 5.2067 5.3099 5.3114 5.9628 5.9632 5.9899 5.9911 6.7977 6.7996 6.9066 6.9084 11.8405 11.8417 11.8565 11.8569 15.2303 15.2340 15.2520 15.2541 15.9180 15.9181 16.1150 16.1220 k = 0.0000 0.1275 0.3027 ( 4130 PWs) bands (ev): -13.7437 -13.7436 -13.6512 -13.6509 -11.5949 -11.5949 -11.4356 -11.4353 -11.1676 -11.1674 -11.0968 -11.0963 -10.4835 -10.4832 -10.4498 -10.4495 -2.0800 -2.0798 -1.8193 -1.8193 -0.2558 -0.2549 0.0944 0.0970 0.5382 0.5389 0.7164 0.7172 1.3505 1.3539 1.5328 1.5339 2.5943 2.5949 3.0011 3.0029 3.1761 3.1769 3.4312 3.4355 3.7185 3.7217 3.8567 3.8626 4.0361 4.0376 4.4510 4.4511 4.9046 4.9050 4.9806 4.9875 5.2187 5.2240 5.3198 5.3211 5.9606 5.9610 5.9895 5.9907 6.7955 6.7974 6.9152 6.9170 11.8819 11.8831 11.8998 11.9002 15.2288 15.2328 15.2496 15.2520 15.8982 15.8989 16.1346 16.1415 k = 0.0000 0.1403 0.3027 ( 4131 PWs) bands (ev): -13.7363 -13.7362 -13.6335 -13.6332 -11.6109 -11.6109 -11.4337 -11.4335 -11.1846 -11.1844 -11.1047 -11.1041 -10.4864 -10.4862 -10.4477 -10.4474 -2.0699 -2.0697 -1.7886 -1.7885 -0.2819 -0.2810 0.0781 0.0808 0.5443 0.5451 0.7508 0.7517 1.3484 1.3518 1.5321 1.5332 2.5744 2.5750 2.9962 2.9984 3.1732 3.1742 3.4106 3.4153 3.7228 3.7266 3.8242 3.8300 4.0231 4.0246 4.4402 4.4405 4.9118 4.9121 5.0025 5.0095 5.2426 5.2473 5.3297 5.3308 5.9593 5.9598 5.9888 5.9901 6.7936 6.7954 6.9236 6.9253 11.9273 11.9285 11.9472 11.9475 15.2271 15.2313 15.2458 15.2486 15.8794 15.8806 16.1561 16.1630 k = 0.0000 0.1530 0.3027 ( 4142 PWs) bands (ev): -13.7280 -13.7278 -13.6146 -13.6143 -11.6281 -11.6281 -11.4329 -11.4328 -11.2019 -11.2016 -11.1130 -11.1124 -10.4895 -10.4892 -10.4454 -10.4451 -2.0575 -2.0573 -1.7574 -1.7573 -0.3064 -0.3055 0.0590 0.0617 0.5501 0.5510 0.7851 0.7861 1.3493 1.3527 1.5302 1.5311 2.5556 2.5560 2.9836 2.9860 3.1764 3.1775 3.3855 3.3904 3.7308 3.7350 3.7896 3.7955 4.0132 4.0147 4.4290 4.4298 4.9137 4.9148 5.0220 5.0291 5.2714 5.2756 5.3392 5.3402 5.9595 5.9600 5.9879 5.9892 6.7917 6.7935 6.9318 6.9335 11.9766 11.9778 11.9984 11.9987 15.2247 15.2291 15.2406 15.2437 15.8623 15.8639 16.1795 16.1862 k = 0.0000 0.1658 0.3027 ( 4138 PWs) bands (ev): -13.7188 -13.7187 -13.5945 -13.5942 -11.6467 -11.6466 -11.4336 -11.4335 -11.2190 -11.2187 -11.1214 -11.1208 -10.4927 -10.4925 -10.4430 -10.4427 -2.0430 -2.0429 -1.7260 -1.7258 -0.3292 -0.3283 0.0373 0.0400 0.5555 0.5565 0.8187 0.8198 1.3535 1.3568 1.5270 1.5279 2.5378 2.5381 2.9646 2.9671 3.1840 3.1851 3.3572 3.3622 3.7411 3.7458 3.7549 3.7610 4.0050 4.0064 4.4178 4.4189 4.9120 4.9138 5.0390 5.0461 5.3040 5.3077 5.3480 5.3488 5.9615 5.9620 5.9866 5.9880 6.7898 6.7916 6.9398 6.9414 12.0296 12.0308 12.0534 12.0536 15.2214 15.2258 15.2341 15.2374 15.8474 15.8492 16.2047 16.2113 k = 0.0000 0.1785 0.3027 ( 4138 PWs) bands (ev): -13.7089 -13.7087 -13.5732 -13.5729 -11.6667 -11.6665 -11.4361 -11.4361 -11.2355 -11.2351 -11.1300 -11.1293 -10.4960 -10.4958 -10.4404 -10.4401 -2.0265 -2.0263 -1.6945 -1.6942 -0.3501 -0.3491 0.0131 0.0158 0.5603 0.5615 0.8513 0.8525 1.3610 1.3642 1.5227 1.5236 2.5213 2.5214 2.9411 2.9435 3.1940 3.1950 3.3266 3.3317 3.7214 3.7270 3.7537 3.7579 3.9977 3.9992 4.4068 4.4082 4.9075 4.9099 5.0532 5.0604 5.3388 5.3424 5.3556 5.3561 5.9659 5.9664 5.9849 5.9865 6.7880 6.7897 6.9475 6.9491 12.0862 12.0874 12.1119 12.1121 15.2164 15.2201 15.2275 15.2300 15.8349 15.8369 16.2316 16.2380 k = 0.0000 0.1913 0.3027 ( 4137 PWs) bands (ev): -13.6982 -13.6981 -13.5507 -13.5505 -11.6880 -11.6878 -11.4409 -11.4408 -11.2508 -11.2503 -11.1385 -11.1378 -10.4994 -10.4992 -10.4377 -10.4375 -2.0079 -2.0078 -1.6633 -1.6629 -0.3688 -0.3679 -0.0132 -0.0106 0.5644 0.5657 0.8823 0.8838 1.3720 1.3751 1.5174 1.5183 2.5061 2.5061 2.9142 2.9167 3.2047 3.2055 3.2947 3.2996 3.6903 3.6961 3.7661 3.7704 3.9910 3.9925 4.3960 4.3978 4.9013 4.9041 5.0649 5.0720 5.3597 5.3610 5.3768 5.3791 5.9730 5.9732 5.9831 5.9849 6.7860 6.7876 6.9549 6.9565 12.1462 12.1474 12.1738 12.1739 15.2088 15.2105 15.2218 15.2225 15.8250 15.8271 16.2600 16.2662 k = 0.0000 0.2040 0.3027 ( 4137 PWs) bands (ev): -13.6868 -13.6867 -13.5272 -13.5269 -11.7108 -11.7106 -11.4485 -11.4483 -11.2642 -11.2637 -11.1468 -11.1461 -10.5028 -10.5027 -10.4349 -10.4347 -1.9874 -1.9873 -1.6326 -1.6322 -0.3853 -0.3844 -0.0416 -0.0390 0.5677 0.5691 0.9117 0.9133 1.3864 1.3892 1.5113 1.5122 2.4923 2.4924 2.8850 2.8874 3.2149 3.2156 3.2619 3.2667 3.6624 3.6683 3.7784 3.7828 3.9847 3.9862 4.3859 4.3879 4.8938 4.8970 5.0741 5.0811 5.3626 5.3635 5.4140 5.4163 5.9792 5.9793 5.9847 5.9868 6.7839 6.7855 6.9619 6.9634 12.2094 12.2106 12.2388 12.2389 15.1978 15.1981 15.2152 15.2159 15.8176 15.8197 16.2899 16.2959 k = 0.0000 0.2168 0.3027 ( 4131 PWs) bands (ev): -13.6749 -13.6748 -13.5025 -13.5023 -11.7350 -11.7348 -11.4592 -11.4589 -11.2752 -11.2746 -11.1550 -11.1542 -10.5064 -10.5062 -10.4320 -10.4318 -1.9651 -1.9650 -1.6028 -1.6024 -0.3994 -0.3984 -0.0718 -0.0692 0.5699 0.5714 0.9393 0.9410 1.4038 1.4065 1.5046 1.5055 2.4799 2.4802 2.8540 2.8564 3.2227 3.2241 3.2297 3.2336 3.6384 3.6444 3.7903 3.7946 3.9788 3.9804 4.3764 4.3787 4.8857 4.8891 5.0810 5.0879 5.3621 5.3629 5.4519 5.4540 5.9770 5.9779 5.9977 5.9989 6.7816 6.7831 6.9686 6.9700 12.2756 12.2768 12.3067 12.3067 15.1837 15.1841 15.2075 15.2089 15.8127 15.8148 16.3210 16.3267 k = 0.0000 0.2295 0.3027 ( 4131 PWs) bands (ev): -13.6626 -13.6625 -13.4769 -13.4766 -11.7607 -11.7604 -11.4729 -11.4726 -11.2838 -11.2831 -11.1628 -11.1621 -10.5099 -10.5098 -10.4291 -10.4289 -1.9410 -1.9410 -1.5741 -1.5737 -0.4108 -0.4097 -0.1037 -0.1011 0.5709 0.5726 0.9651 0.9670 1.4240 1.4265 1.4973 1.4982 2.4691 2.4695 2.8217 2.8242 3.1950 3.1999 3.2307 3.2310 3.6188 3.6249 3.8012 3.8055 3.9735 3.9752 4.3679 4.3703 4.8771 4.8807 5.0856 5.0925 5.3584 5.3589 5.4896 5.4915 5.9737 5.9748 6.0145 6.0154 6.7791 6.7805 6.9748 6.9762 12.3447 12.3459 12.3773 12.3773 15.1675 15.1682 15.1986 15.2004 15.8101 15.8120 16.3533 16.3587 k = 0.0000 0.2423 0.3027 ( 4134 PWs) bands (ev): -13.6498 -13.6497 -13.4502 -13.4500 -11.7877 -11.7874 -11.4895 -11.4891 -11.2898 -11.2891 -11.1704 -11.1696 -10.5134 -10.5133 -10.4260 -10.4258 -1.9153 -1.9153 -1.5469 -1.5464 -0.4194 -0.4183 -0.1370 -0.1345 0.5708 0.5726 0.9893 0.9914 1.4464 1.4486 1.4897 1.4906 2.4601 2.4606 2.7885 2.7910 3.1620 3.1666 3.2345 3.2350 3.6041 3.6100 3.8109 3.8151 3.9690 3.9707 4.3604 4.3629 4.8684 4.8721 5.0881 5.0950 5.3515 5.3518 5.5268 5.5286 5.9700 5.9710 6.0342 6.0351 6.7763 6.7777 6.9806 6.9820 12.4164 12.4175 12.4502 12.4502 15.1498 15.1506 15.1880 15.1899 15.8093 15.8110 16.3865 16.3916 k = 0.0000 0.2550 0.3027 ( 4138 PWs) bands (ev): -13.6368 -13.6367 -13.4226 -13.4224 -11.8160 -11.8157 -11.5085 -11.5080 -11.2936 -11.2929 -11.1775 -11.1768 -10.5170 -10.5169 -10.4230 -10.4228 -1.8881 -1.8881 -1.5215 -1.5209 -0.4251 -0.4240 -0.1716 -0.1692 0.5692 0.5712 1.0120 1.0143 1.4704 1.4721 1.4818 1.4829 2.4527 2.4533 2.7547 2.7571 3.1293 3.1338 3.2355 3.2361 3.5942 3.5999 3.8193 3.8234 3.9654 3.9672 4.3540 4.3566 4.8597 4.8635 5.0885 5.0953 5.3418 5.3419 5.5632 5.5649 5.9658 5.9668 6.0565 6.0572 6.7733 6.7747 6.9859 6.9873 12.4903 12.4915 12.5252 12.5253 15.1307 15.1316 15.1754 15.1772 15.8100 15.8115 16.4205 16.4253 k = 0.0000 0.2678 0.3027 ( 4138 PWs) bands (ev): -13.6236 -13.6235 -13.3941 -13.3939 -11.8456 -11.8453 -11.5292 -11.5287 -11.2957 -11.2950 -11.1843 -11.1835 -10.5205 -10.5204 -10.4199 -10.4197 -1.8594 -1.8594 -1.4980 -1.4974 -0.4279 -0.4267 -0.2074 -0.2051 0.5663 0.5684 1.0336 1.0360 1.4737 1.4743 1.4955 1.4975 2.4471 2.4478 2.7205 2.7230 3.0972 3.1015 3.2338 3.2346 3.5888 3.5943 3.8262 3.8302 3.9632 3.9649 4.3487 4.3513 4.8512 4.8549 5.0866 5.0935 5.3297 5.3299 5.5986 5.6001 5.9612 5.9622 6.0808 6.0814 6.7701 6.7715 6.9909 6.9921 12.5664 12.5676 12.6019 12.6020 15.1104 15.1113 15.1603 15.1621 15.8119 15.8132 16.4551 16.4595 k = 0.0000 0.2805 0.3027 ( 4138 PWs) bands (ev): -13.6103 -13.6102 -13.3648 -13.3646 -11.8762 -11.8759 -11.5511 -11.5507 -11.2964 -11.2957 -11.1906 -11.1899 -10.5239 -10.5238 -10.4168 -10.4166 -1.8294 -1.8294 -1.4766 -1.4760 -0.4275 -0.4263 -0.2441 -0.2419 0.5619 0.5641 1.0543 1.0568 1.4656 1.4662 1.5209 1.5225 2.4432 2.4441 2.6862 2.6888 3.0658 3.0700 3.2297 3.2308 3.5872 3.5924 3.8317 3.8355 3.9626 3.9642 4.3446 4.3472 4.8428 4.8465 5.0823 5.0891 5.3160 5.3164 5.6328 5.6342 5.9562 5.9573 6.1066 6.1071 6.7668 6.7680 6.9953 6.9965 12.6442 12.6454 12.6800 12.6802 15.0891 15.0899 15.1427 15.1443 15.8147 15.8157 16.4901 16.4942 k = 0.0000 0.2933 0.3027 ( 4134 PWs) bands (ev): -13.5971 -13.5970 -13.3347 -13.3345 -11.9079 -11.9076 -11.5737 -11.5732 -11.2961 -11.2954 -11.1965 -11.1958 -10.5273 -10.5272 -10.4137 -10.4135 -1.7982 -1.7982 -1.4577 -1.4570 -0.4242 -0.4229 -0.2816 -0.2795 0.5561 0.5584 1.0744 1.0769 1.4575 1.4582 1.5460 1.5474 2.4411 2.4421 2.6522 2.6548 3.0353 3.0393 3.2238 3.2252 3.5887 3.5934 3.8359 3.8395 3.9639 3.9655 4.3415 4.3440 4.8348 4.8383 5.0752 5.0820 5.3017 5.3023 5.6656 5.6669 5.9510 5.9520 6.1332 6.1336 6.7632 6.7644 6.9994 7.0005 12.7235 12.7247 12.7592 12.7594 15.0668 15.0675 15.1222 15.1237 15.8179 15.8187 16.5252 16.5289 k = 0.0000 0.3060 0.3027 ( 4130 PWs) bands (ev): -13.5841 -13.5840 -13.3041 -13.3038 -11.9403 -11.9401 -11.5964 -11.5960 -11.2950 -11.2944 -11.2020 -11.2014 -10.5306 -10.5305 -10.4106 -10.4105 -1.7659 -1.7659 -1.4411 -1.4405 -0.4179 -0.4165 -0.3198 -0.3178 0.5489 0.5513 1.0939 1.0965 1.4496 1.4502 1.5704 1.5716 2.4408 2.4418 2.6187 2.6214 3.0058 3.0097 3.2167 3.2184 3.5922 3.5964 3.8389 3.8422 3.9675 3.9689 4.3394 4.3417 4.8270 4.8305 5.0652 5.0719 5.2875 5.2883 5.6969 5.6980 5.9456 5.9465 6.1602 6.1605 6.7595 6.7607 7.0030 7.0041 12.8039 12.8050 12.8389 12.8391 15.0436 15.0441 15.0987 15.0999 15.8214 15.8220 16.5602 16.5636 k = 0.0000 0.3188 0.3027 ( 4131 PWs) bands (ev): -13.5714 -13.5714 -13.2728 -13.2726 -11.9735 -11.9733 -11.6190 -11.6186 -11.2934 -11.2928 -11.2071 -11.2065 -10.5338 -10.5338 -10.4076 -10.4075 -1.7326 -1.7326 -1.4271 -1.4265 -0.4088 -0.4074 -0.3585 -0.3566 0.5404 0.5428 1.1130 1.1156 1.4418 1.4424 1.5935 1.5946 2.4421 2.4432 2.5860 2.5887 2.9774 2.9811 3.2090 3.2109 3.5967 3.6005 3.8408 3.8439 3.9736 3.9749 4.3379 4.3400 4.8197 4.8230 5.0519 5.0585 5.2744 5.2753 5.7265 5.7275 5.9400 5.9409 6.1870 6.1872 6.7557 6.7568 7.0062 7.0072 12.8849 12.8860 12.9186 12.9189 15.0195 15.0199 15.0721 15.0731 15.8248 15.8251 16.5948 16.5978 k = 0.0000 0.3315 0.3027 ( 4135 PWs) bands (ev): -13.5593 -13.5592 -13.2412 -13.2410 -12.0072 -12.0069 -11.6409 -11.6406 -11.2914 -11.2909 -11.2118 -11.2112 -10.5369 -10.5369 -10.4046 -10.4045 -1.6986 -1.6986 -1.4155 -1.4149 -0.3979 -0.3969 -0.3967 -0.3949 0.5307 0.5332 1.1318 1.1345 1.4342 1.4348 1.6149 1.6159 2.4450 2.4462 2.5543 2.5570 2.9503 2.9538 3.2012 3.2033 3.6016 3.6049 3.8419 3.8447 3.9825 3.9835 4.3369 4.3389 4.8127 4.8158 5.0354 5.0417 5.2629 5.2638 5.7542 5.7552 5.9344 5.9352 6.2133 6.2134 6.7519 6.7529 7.0089 7.0099 12.9661 12.9672 12.9979 12.9982 14.9946 14.9948 15.0425 15.0433 15.8280 15.8281 16.6285 16.6311 k = 0.0000 0.3443 0.3027 ( 4140 PWs) bands (ev): -13.5478 -13.5477 -13.2093 -13.2091 -12.0412 -12.0409 -11.6620 -11.6617 -11.2891 -11.2886 -11.2161 -11.2156 -10.5399 -10.5399 -10.4017 -10.4016 -1.6639 -1.6639 -1.4062 -1.4056 -0.4367 -0.4350 -0.3836 -0.3820 0.5200 0.5225 1.1504 1.1531 1.4269 1.4274 1.6344 1.6352 2.4493 2.4505 2.5238 2.5267 2.9247 2.9280 3.1936 3.1959 3.6063 3.6090 3.8424 3.8449 3.9940 3.9948 4.3363 4.3381 4.8061 4.8090 5.0160 5.0218 5.2533 5.2541 5.7801 5.7809 5.9289 5.9296 6.2386 6.2387 6.7481 6.7490 7.0113 7.0122 13.0469 13.0479 13.0761 13.0764 14.9689 14.9690 15.0100 15.0106 15.8308 15.8309 16.6609 16.6632 k = 0.0000 0.3570 0.3027 ( 4149 PWs) bands (ev): -13.5371 -13.5370 -13.1773 -13.1771 -12.0752 -12.0750 -11.6819 -11.6816 -11.2867 -11.2862 -11.2201 -11.2196 -10.5428 -10.5428 -10.3989 -10.3988 -1.6289 -1.6288 -1.3991 -1.3986 -0.4757 -0.4742 -0.3681 -0.3665 0.5085 0.5111 1.1688 1.1714 1.4199 1.4203 1.6517 1.6524 2.4548 2.4560 2.4949 2.4978 2.9007 2.9038 3.1865 3.1889 3.6102 3.6125 3.8425 3.8447 4.0081 4.0086 4.3359 4.3374 4.7999 4.8024 4.9941 4.9995 5.2455 5.2463 5.8040 5.8046 5.9235 5.9241 6.2627 6.2627 6.7443 6.7452 7.0133 7.0142 13.1266 13.1276 13.1524 13.1528 14.9425 14.9427 14.9752 14.9755 15.8331 15.8334 16.6914 16.6934 k = 0.0000 0.3698 0.3027 ( 4153 PWs) bands (ev): -13.5273 -13.5272 -13.1454 -13.1452 -12.1090 -12.1088 -11.7003 -11.7001 -11.2841 -11.2837 -11.2237 -11.2232 -10.5456 -10.5456 -10.3962 -10.3961 -1.5936 -1.5936 -1.3941 -1.3936 -0.5145 -0.5131 -0.3514 -0.3498 0.4966 0.4991 1.1868 1.1894 1.4131 1.4136 1.6666 1.6672 2.4612 2.4623 2.4678 2.4708 2.8786 2.8815 3.1800 3.1826 3.6133 3.6151 3.8423 3.8443 4.0244 4.0247 4.3355 4.3369 4.7939 4.7962 4.9706 4.9755 5.2395 5.2401 5.8257 5.8262 5.9185 5.9189 6.2852 6.2853 6.7407 6.7415 7.0149 7.0157 13.2045 13.2055 13.2261 13.2265 14.9155 14.9160 14.9385 14.9386 15.8349 15.8354 16.7194 16.7254 k = 0.0000 0.3825 0.3027 ( 4149 PWs) bands (ev): -13.5186 -13.5185 -13.1138 -13.1137 -12.1423 -12.1422 -11.7171 -11.7169 -11.2815 -11.2812 -11.2270 -11.2266 -10.5482 -10.5482 -10.3935 -10.3935 -1.5584 -1.5583 -1.3909 -1.3905 -0.5528 -0.5515 -0.3339 -0.3323 0.4845 0.4869 1.2044 1.2069 1.4067 1.4071 1.6790 1.6795 2.4426 2.4455 2.4681 2.4693 2.8588 2.8613 3.1743 3.1769 3.6153 3.6168 3.8420 3.8437 4.0425 4.0425 4.3352 4.3363 4.7882 4.7902 4.9463 4.9507 5.2350 5.2354 5.8452 5.8456 5.9139 5.9141 6.3060 6.3060 6.7372 6.7379 7.0162 7.0169 13.2795 13.2804 13.2963 13.2968 14.8877 14.8889 14.9010 14.9018 15.8364 15.8370 16.7330 16.7361 k = 0.0000 0.3953 0.3027 ( 4150 PWs) bands (ev): -13.5111 -13.5111 -13.0830 -13.0828 -12.1747 -12.1746 -11.7319 -11.7317 -11.2789 -11.2786 -11.2300 -11.2296 -10.5507 -10.5507 -10.3910 -10.3910 -1.5236 -1.5235 -1.3893 -1.3890 -0.5902 -0.5890 -0.3162 -0.3147 0.4726 0.4749 1.2216 1.2240 1.4007 1.4010 1.6889 1.6894 2.4195 2.4224 2.4752 2.4763 2.8415 2.8437 3.1693 3.1719 3.6165 3.6176 3.8416 3.8431 4.0613 4.0615 4.3348 4.3357 4.7826 4.7843 4.9223 4.9262 5.2316 5.2318 5.8622 5.8623 5.9101 5.9101 6.3247 6.3248 6.7339 6.7346 7.0172 7.0178 13.3504 13.3513 13.3619 13.3624 14.8569 14.8586 14.8673 14.8684 15.8375 15.8383 16.7345 16.7380 k = 0.0000 0.4080 0.3027 ( 4150 PWs) bands (ev): -13.5050 -13.5050 -13.0532 -13.0531 -12.2059 -12.2058 -11.7447 -11.7445 -11.2763 -11.2761 -11.2327 -11.2323 -10.5531 -10.5531 -10.3887 -10.3886 -1.4896 -1.4895 -1.3892 -1.3889 -0.6263 -0.6252 -0.2990 -0.2974 0.4613 0.4635 1.2380 1.2403 1.3949 1.3953 1.6965 1.6969 2.3986 2.4016 2.4819 2.4828 2.8272 2.8290 3.1651 3.1677 3.6169 3.6176 3.8414 3.8426 4.0802 4.0807 4.3344 4.3351 4.7771 4.7785 4.8997 4.9030 5.2291 5.2292 5.8757 5.8760 5.9076 5.9080 6.3412 6.3413 6.7309 6.7315 7.0178 7.0184 13.4156 13.4163 13.4217 13.4223 14.8223 14.8233 14.8412 14.8415 15.8383 15.8393 16.7346 16.7379 k = 0.0000 0.4208 0.3027 ( 4145 PWs) bands (ev): -13.5004 -13.5004 -13.0250 -13.0249 -12.2351 -12.2351 -11.7551 -11.7550 -11.2738 -11.2736 -11.2350 -11.2347 -10.5553 -10.5553 -10.3864 -10.3864 -1.4569 -1.4568 -1.3903 -1.3901 -0.6607 -0.6597 -0.2827 -0.2813 0.4510 0.4530 1.2536 1.2558 1.3897 1.3899 1.7019 1.7022 2.3801 2.3831 2.4876 2.4883 2.8163 2.8178 3.1617 3.1641 3.6166 3.6170 3.8412 3.8422 4.0984 4.0990 4.3340 4.3346 4.7716 4.7727 4.8795 4.8823 5.2274 5.2274 5.8841 5.8848 5.9084 5.9092 6.3554 6.3555 6.7282 6.7287 7.0181 7.0186 13.4724 13.4724 13.4757 13.4758 14.7893 14.7899 14.8185 14.8188 15.8389 15.8401 16.7338 16.7369 k = 0.0000 0.4335 0.3027 ( 4146 PWs) bands (ev): -13.4974 -13.4973 -12.9989 -12.9988 -12.2620 -12.2620 -11.7632 -11.7631 -11.2714 -11.2713 -11.2371 -11.2369 -10.5574 -10.5574 -10.3843 -10.3843 -1.4262 -1.4261 -1.3926 -1.3924 -0.6927 -0.6918 -0.2680 -0.2667 0.4422 0.4440 1.2680 1.2700 1.3848 1.3851 1.7053 1.7056 2.3640 2.3671 2.4918 2.4922 2.8094 2.8103 3.1590 3.1613 3.6157 3.6158 3.8412 3.8420 4.1147 4.1154 4.3338 4.3342 4.7661 4.7668 4.8628 4.8650 5.2261 5.2262 5.8863 5.8870 5.9140 5.9149 6.3672 6.3673 6.7258 6.7262 7.0181 7.0185 13.5166 13.5172 13.5231 13.5233 14.7611 14.7617 14.7992 14.7999 15.8394 15.8407 16.7321 16.7348 k = 0.0000 0.4463 0.3027 ( 4143 PWs) bands (ev): -13.4960 -13.4960 -12.9756 -12.9755 -12.2857 -12.2857 -11.7687 -11.7687 -11.2690 -11.2690 -11.2389 -11.2388 -10.5593 -10.5593 -10.3823 -10.3823 -1.3984 -1.3983 -1.3956 -1.3956 -0.7214 -0.7206 -0.2555 -0.2543 0.4353 0.4367 1.2810 1.2829 1.3804 1.3807 1.7070 1.7073 2.3504 2.3535 2.4940 2.4941 2.8067 2.8071 3.1569 3.1592 3.6143 3.6144 3.8414 3.8420 4.1282 4.1290 4.3338 4.3340 4.7604 4.7608 4.8506 4.8523 5.2253 5.2255 5.8850 5.8855 5.9218 5.9225 6.3764 6.3765 6.7238 6.7241 7.0178 7.0182 13.5499 13.5508 13.5595 13.5597 14.7405 14.7410 14.7844 14.7856 15.8399 15.8414 16.7296 16.7318 k = 0.0000 0.4590 0.3027 ( 4139 PWs) bands (ev): -13.4963 -13.4963 -12.9559 -12.9558 -12.3055 -12.3055 -11.7717 -11.7717 -11.2668 -11.2668 -11.2405 -11.2404 -10.5611 -10.5611 -10.3805 -10.3805 -1.3998 -1.3998 -1.3743 -1.3741 -0.7459 -0.7452 -0.2456 -0.2446 0.4306 0.4317 1.2923 1.2939 1.3766 1.3768 1.7074 1.7077 2.3393 2.3423 2.4937 2.4939 2.8082 2.8084 3.1556 3.1577 3.6126 3.6129 3.8417 3.8420 4.1380 4.1388 4.3341 4.3342 4.7546 4.7548 4.8439 4.8450 5.2249 5.2253 5.8823 5.8826 5.9293 5.9299 6.3830 6.3830 6.7222 6.7225 7.0173 7.0176 13.5715 13.5726 13.5821 13.5821 14.7295 14.7301 14.7753 14.7769 15.8404 15.8420 16.7262 16.7280 k = 0.0000 0.4590 0.3027 ( 4139 PWs) bands (ev): -13.4963 -13.4963 -12.9559 -12.9558 -12.3055 -12.3055 -11.7717 -11.7717 -11.2668 -11.2668 -11.2405 -11.2404 -10.5611 -10.5611 -10.3805 -10.3805 -1.3998 -1.3998 -1.3743 -1.3741 -0.7459 -0.7452 -0.2456 -0.2446 0.4306 0.4317 1.2923 1.2939 1.3766 1.3768 1.7074 1.7077 2.3393 2.3423 2.4937 2.4939 2.8082 2.8084 3.1556 3.1577 3.6126 3.6129 3.8417 3.8420 4.1380 4.1388 4.3341 4.3342 4.7546 4.7548 4.8439 4.8450 5.2249 5.2253 5.8823 5.8826 5.9293 5.9299 6.3830 6.3830 6.7222 6.7225 7.0173 7.0176 13.5715 13.5726 13.5821 13.5821 14.7295 14.7301 14.7753 14.7769 15.8404 15.8420 16.7262 16.7280 k = 0.0000 0.4649 0.2923 ( 4134 PWs) bands (ev): -13.4992 -13.4992 -12.9396 -12.9395 -12.3229 -12.3229 -11.7727 -11.7727 -11.2630 -11.2630 -11.2397 -11.2396 -10.5631 -10.5631 -10.3786 -10.3786 -1.4020 -1.4020 -1.3582 -1.3580 -0.7642 -0.7638 -0.2419 -0.2412 0.4296 0.4304 1.3123 1.3134 1.3717 1.3719 1.7021 1.7023 2.3279 2.3299 2.4886 2.4887 2.8127 2.8128 3.1548 3.1562 3.6090 3.6092 3.8429 3.8432 4.1433 4.1438 4.3368 4.3369 4.7503 4.7504 4.8476 4.8483 5.2245 5.2247 5.8880 5.8883 5.9270 5.9275 6.3859 6.3859 6.7189 6.7190 7.0161 7.0163 13.5844 13.5851 13.5926 13.5926 14.7332 14.7336 14.7769 14.7780 15.8352 15.8363 16.7148 16.7160 k = 0.0000 0.4708 0.2820 ( 4136 PWs) bands (ev): -13.5010 -13.5010 -12.9292 -12.9292 -12.3339 -12.3339 -11.7734 -11.7733 -11.2607 -11.2607 -11.2392 -11.2391 -10.5644 -10.5644 -10.3775 -10.3775 -1.4033 -1.4033 -1.3479 -1.3478 -0.7757 -0.7755 -0.2396 -0.2392 0.4291 0.4295 1.3251 1.3257 1.3688 1.3689 1.6983 1.6984 2.3211 2.3221 2.4855 2.4856 2.8154 2.8155 3.1545 3.1552 3.6068 3.6069 3.8437 3.8438 4.1466 4.1468 4.3384 4.3385 4.7478 4.7478 4.8498 4.8502 5.2243 5.2244 5.8916 5.8918 5.9255 5.9258 6.3875 6.3875 6.7168 6.7169 7.0153 7.0154 13.5922 13.5926 13.5990 13.5990 14.7354 14.7356 14.7781 14.7786 15.8321 15.8327 16.7080 16.7086 k = 0.0000 0.4768 0.2716 ( 4136 PWs) bands (ev): -13.5015 -13.5015 -12.9257 -12.9257 -12.3377 -12.3377 -11.7736 -11.7736 -11.2599 -11.2599 -11.2390 -11.2390 -10.5648 -10.5648 -10.3771 -10.3771 -1.4038 -1.4038 -1.3444 -1.3444 -0.7796 -0.7796 -0.2387 -0.2387 0.4291 0.4291 1.3298 1.3298 1.3678 1.3678 1.6969 1.6969 2.3192 2.3192 2.4846 2.4846 2.8164 2.8164 3.1546 3.1546 3.6061 3.6061 3.8440 3.8440 4.1477 4.1477 4.3390 4.3390 4.7470 4.7470 4.8507 4.8507 5.2243 5.2243 5.8930 5.8930 5.9250 5.9250 6.3880 6.3880 6.7162 6.7162 7.0151 7.0151 13.5949 13.5949 13.6011 13.6011 14.7362 14.7362 14.7787 14.7787 15.8313 15.8313 16.7059 16.7059 k = 0.0000 0.4768 0.2716 ( 4136 PWs) bands (ev): -13.5015 -13.5015 -12.9257 -12.9257 -12.3377 -12.3377 -11.7736 -11.7736 -11.2599 -11.2599 -11.2390 -11.2390 -10.5648 -10.5648 -10.3771 -10.3771 -1.4038 -1.4038 -1.3444 -1.3444 -0.7796 -0.7796 -0.2387 -0.2387 0.4291 0.4291 1.3298 1.3298 1.3678 1.3678 1.6969 1.6969 2.3192 2.3192 2.4846 2.4846 2.8164 2.8164 3.1546 3.1546 3.6061 3.6061 3.8440 3.8440 4.1477 4.1477 4.3390 4.3390 4.7470 4.7470 4.8507 4.8507 5.2243 5.2243 5.8930 5.8930 5.9250 5.9250 6.3880 6.3880 6.7162 6.7162 7.0151 7.0151 13.5949 13.5949 13.6011 13.6011 14.7362 14.7362 14.7787 14.7787 15.8313 15.8313 16.7059 16.7059 k = 0.0125 0.4768 0.2716 ( 4140 PWs) bands (ev): -13.5009 -13.5009 -12.9251 -12.9251 -12.3373 -12.3373 -11.7734 -11.7734 -11.2607 -11.2602 -11.2391 -11.2387 -10.5660 -10.5659 -10.3780 -10.3780 -1.4274 -1.4264 -1.3236 -1.3226 -0.7822 -0.7817 -0.2325 -0.2319 0.4284 0.4286 1.3189 1.3207 1.3739 1.3757 1.6979 1.6982 2.3184 2.3189 2.4829 2.4834 2.8143 2.8147 3.1560 3.1569 3.6046 3.6060 3.8468 3.8475 4.1476 4.1481 4.3383 4.3389 4.7469 4.7476 4.8501 4.8511 5.2258 5.2262 5.8930 5.8935 5.9265 5.9269 6.3878 6.3879 6.7158 6.7158 7.0152 7.0153 13.5904 13.5927 13.6036 13.6052 14.7309 14.7344 14.7813 14.7835 15.8285 15.8293 16.7028 16.7044 k = 0.0250 0.4768 0.2716 ( 4146 PWs) bands (ev): -13.4989 -13.4988 -12.9233 -12.9232 -12.3362 -12.3362 -11.7729 -11.7729 -11.2623 -11.2614 -11.2391 -11.2384 -10.5696 -10.5694 -10.3808 -10.3806 -1.4676 -1.4664 -1.2894 -1.2883 -0.7887 -0.7877 -0.2139 -0.2128 0.4263 0.4268 1.2977 1.2999 1.3856 1.3878 1.7010 1.7015 2.3166 2.3175 2.4784 2.4794 2.8087 2.8096 3.1606 3.1624 3.6020 3.6048 3.8554 3.8568 4.1478 4.1487 4.3371 4.3383 4.7474 4.7489 4.8493 4.8514 5.2307 5.2314 5.8936 5.8945 5.9311 5.9319 6.3873 6.3874 6.7147 6.7148 7.0155 7.0158 13.5845 13.5873 13.6090 13.6105 14.7216 14.7271 14.7895 14.7926 15.8211 15.8227 16.6956 16.6987 k = 0.0375 0.4768 0.2716 ( 4146 PWs) bands (ev): -13.4956 -13.4955 -12.9202 -12.9202 -12.3343 -12.3343 -11.7721 -11.7721 -11.2648 -11.2636 -11.2391 -11.2382 -10.5755 -10.5752 -10.3853 -10.3850 -1.5106 -1.5093 -1.2576 -1.2564 -0.7961 -0.7948 -0.1847 -0.1832 0.4232 0.4239 1.2720 1.2744 1.3965 1.3988 1.7059 1.7066 2.3135 2.3147 2.4710 2.4723 2.8009 2.8022 3.1677 3.1702 3.5996 3.6034 3.8688 3.8708 4.1482 4.1495 4.3353 4.3370 4.7486 4.7508 4.8484 4.8514 5.2389 5.2400 5.8948 5.8961 5.9389 5.9400 6.3865 6.3867 6.7129 6.7130 7.0160 7.0165 13.5781 13.5812 13.6148 13.6161 14.7112 14.7179 14.7999 14.8030 15.8094 15.8117 16.6855 16.6898 k = 0.0500 0.4768 0.2716 ( 4148 PWs) bands (ev): -13.4909 -13.4908 -12.9160 -12.9159 -12.3317 -12.3316 -11.7710 -11.7709 -11.2679 -11.2665 -11.2392 -11.2381 -10.5837 -10.5834 -10.3916 -10.3912 -1.5541 -1.5528 -1.2323 -1.2311 -0.8008 -0.7992 -0.1469 -0.1451 0.4191 0.4200 1.2435 1.2460 1.4054 1.4076 1.7120 1.7128 2.3090 2.3103 2.4606 2.4620 2.7924 2.7941 3.1759 3.1791 3.5986 3.6034 3.8856 3.8882 4.1489 4.1507 4.3329 4.3352 4.7505 4.7533 4.8473 4.8512 5.2504 5.2519 5.8965 5.8982 5.9496 5.9511 6.3853 6.3855 6.7104 6.7105 7.0168 7.0174 13.5713 13.5746 13.6209 13.6219 14.7011 14.7087 14.8105 14.8135 15.7940 15.7971 16.6732 16.6786 k = 0.0625 0.4768 0.2716 ( 4150 PWs) bands (ev): -13.4849 -13.4848 -12.9105 -12.9104 -12.3283 -12.3283 -11.7696 -11.7695 -11.2718 -11.2701 -11.2394 -11.2382 -10.5941 -10.5937 -10.3996 -10.3992 -1.5972 -1.5959 -1.2164 -1.2152 -0.7992 -0.7974 -0.1026 -0.1005 0.4143 0.4154 1.2129 1.2156 1.4120 1.4141 1.7188 1.7196 2.3028 2.3040 2.4472 2.4485 2.7845 2.7869 3.1841 3.1880 3.6003 3.6058 3.9046 3.9077 4.1499 4.1522 4.3302 4.3330 4.7533 4.7566 4.8461 4.8508 5.2650 5.2668 5.8989 5.9010 5.9631 5.9649 6.3838 6.3841 6.7072 6.7074 7.0179 7.0186 13.5638 13.5675 13.6272 13.6279 14.6919 14.7002 14.8204 14.8234 15.7757 15.7793 16.6594 16.6657 k = 0.0750 0.4768 0.2716 ( 4148 PWs) bands (ev): -13.4776 -13.4775 -12.9038 -12.9037 -12.3242 -12.3242 -11.7678 -11.7677 -11.2762 -11.2744 -11.2399 -11.2386 -10.6068 -10.6063 -10.4094 -10.4089 -1.6396 -1.6382 -1.2115 -1.2102 -0.7887 -0.7868 -0.0534 -0.0511 0.4091 0.4105 1.1809 1.1836 1.4164 1.4185 1.7256 1.7265 2.2944 2.2953 2.4307 2.4320 2.7787 2.7817 3.1917 3.1960 3.6054 3.6115 3.9245 3.9283 4.1514 4.1541 4.3272 4.3303 4.7569 4.7607 4.8448 4.8502 5.2825 5.2846 5.9019 5.9044 5.9790 5.9811 6.3820 6.3824 6.7034 6.7036 7.0191 7.0200 13.5558 13.5597 13.6338 13.6343 14.6841 14.6930 14.8293 14.8323 15.7552 15.7593 16.6447 16.6516 k = 0.0875 0.4768 0.2716 ( 4146 PWs) bands (ev): -13.4690 -13.4689 -12.8960 -12.8959 -12.3194 -12.3193 -11.7658 -11.7657 -11.2811 -11.2792 -11.2406 -11.2394 -10.6216 -10.6210 -10.4208 -10.4203 -1.6810 -1.6796 -1.2175 -1.2160 -0.7691 -0.7669 -0.0009 0.0017 0.4040 0.4056 1.1478 1.1507 1.4188 1.4208 1.7319 1.7328 2.2835 2.2840 2.4112 2.4132 2.7758 2.7794 3.1981 3.2028 3.6144 3.6209 3.9446 3.9490 4.1534 4.1565 4.3239 4.3273 4.7615 4.7656 4.8437 4.8496 5.3027 5.3050 5.9056 5.9085 5.9971 5.9995 6.3799 6.3805 6.6990 6.6992 7.0206 7.0216 13.5471 13.5512 13.6406 13.6409 14.6779 14.6873 14.8368 14.8399 15.7333 15.7377 16.6293 16.6368 k = 0.1000 0.4768 0.2716 ( 4152 PWs) bands (ev): -13.4592 -13.4590 -12.8870 -12.8869 -12.3139 -12.3138 -11.7635 -11.7634 -11.2866 -11.2846 -11.2417 -11.2405 -10.6384 -10.6378 -10.4339 -10.4333 -1.7212 -1.7198 -1.2324 -1.2309 -0.7417 -0.7395 0.0539 0.0566 0.3996 0.4014 1.1143 1.1173 1.4192 1.4211 1.7372 1.7381 2.2692 2.2702 2.3898 2.3928 2.7762 2.7804 3.2032 3.2083 3.6271 3.6338 3.9642 3.9692 4.1560 4.1596 4.3204 4.3241 4.7669 4.7711 4.8430 4.8493 5.3249 5.3275 5.9100 5.9133 6.0170 6.0196 6.3776 6.3782 6.6940 6.6942 7.0223 7.0234 13.5376 13.5419 13.6476 13.6477 14.6734 14.6834 14.8426 14.8460 15.7105 15.7153 16.6136 16.6215 k = 0.1125 0.4768 0.2716 ( 4148 PWs) bands (ev): -13.4480 -13.4478 -12.8769 -12.8767 -12.3076 -12.3075 -11.7610 -11.7608 -11.2925 -11.2905 -11.2432 -11.2420 -10.6571 -10.6565 -10.4487 -10.4479 -1.7601 -1.7587 -1.2539 -1.2523 -0.7091 -0.7067 0.1095 0.1124 0.3968 0.3987 1.0807 1.0838 1.4178 1.4197 1.7412 1.7421 2.2514 2.2534 2.3676 2.3718 2.7799 2.7846 3.2073 3.2126 3.6431 3.6499 3.9828 3.9884 4.1594 4.1634 4.3168 4.3206 4.7729 4.7770 4.8432 4.8497 5.3489 5.3517 5.9153 5.9189 6.0384 6.0413 6.3750 6.3758 6.6886 6.6887 7.0243 7.0255 13.5275 13.5319 13.6545 13.6548 14.6710 14.6814 14.8468 14.8505 15.6876 15.6926 16.5980 16.6062 k = 0.1250 0.4768 0.2716 ( 4150 PWs) bands (ev): -13.4356 -13.4354 -12.8656 -12.8655 -12.3007 -12.3006 -11.7582 -11.7581 -11.2989 -11.2969 -11.2450 -11.2438 -10.6778 -10.6771 -10.4649 -10.4641 -1.7976 -1.7961 -1.2797 -1.2780 -0.6736 -0.6710 0.1646 0.1676 0.3967 0.3988 1.0475 1.0507 1.4146 1.4165 1.7433 1.7442 2.2300 2.2329 2.3461 2.3514 2.7865 2.7917 3.2106 3.2163 3.6617 3.6684 4.0001 4.0063 4.1639 4.1683 4.3130 4.3168 4.7794 4.7830 4.8449 4.8511 5.3741 5.3771 5.9215 5.9254 6.0608 6.0639 6.3722 6.3731 6.6827 6.6828 7.0265 7.0278 13.5167 13.5212 13.6615 13.6619 14.6706 14.6814 14.8493 14.8533 15.6651 15.6703 16.5828 16.5911 k = 0.1375 0.4768 0.2716 ( 4148 PWs) bands (ev): -13.4221 -13.4218 -12.8533 -12.8531 -12.2931 -12.2930 -11.7552 -11.7551 -11.3058 -11.3037 -11.2473 -11.2461 -10.7001 -10.6994 -10.4827 -10.4818 -1.8336 -1.8321 -1.3081 -1.3064 -0.6373 -0.6345 0.2169 0.2200 0.4015 0.4037 1.0151 1.0185 1.4097 1.4116 1.7433 1.7442 2.2049 2.2085 2.3270 2.3329 2.7957 2.8012 3.2137 3.2196 3.6820 3.6887 4.0160 4.0228 4.1696 4.1744 4.3090 4.3127 4.7859 4.7885 4.8487 4.8543 5.4000 5.4030 5.9288 5.9329 6.0840 6.0873 6.3692 6.3703 6.6765 6.6765 7.0290 7.0303 13.5053 13.5098 13.6684 13.6689 14.6723 14.6834 14.8501 14.8545 15.6435 15.6488 16.5682 16.5765 k = 0.1500 0.4768 0.2716 ( 4152 PWs) bands (ev): -13.4073 -13.4070 -12.8399 -12.8397 -12.2849 -12.2848 -11.7520 -11.7519 -11.3132 -11.3110 -11.2500 -11.2489 -10.7241 -10.7234 -10.5018 -10.5009 -1.8680 -1.8666 -1.3379 -1.3362 -0.6017 -0.5988 0.2626 0.2658 0.4149 0.4173 0.9840 0.9875 1.4033 1.4052 1.7408 1.7417 2.1765 2.1803 2.3112 2.3172 2.8069 2.8126 3.2169 3.2231 3.7031 3.7097 4.0303 4.0376 4.1771 4.1822 4.3047 4.3083 4.7919 4.7932 4.8551 4.8595 5.4258 5.4290 5.9371 5.9414 6.1075 6.1110 6.3661 6.3674 6.6699 6.6701 7.0319 7.0332 13.4933 13.4979 13.6750 13.6756 14.6760 14.6874 14.8495 14.8541 15.6232 15.6286 16.5544 16.5626 k = 0.1625 0.4768 0.2716 ( 4152 PWs) bands (ev): -13.3913 -13.3910 -12.8255 -12.8253 -12.2760 -12.2759 -11.7487 -11.7485 -11.3209 -11.3187 -11.2531 -11.2520 -10.7496 -10.7488 -10.5223 -10.5213 -1.9010 -1.8995 -1.3682 -1.3665 -0.5682 -0.5651 0.2969 0.3002 0.4414 0.4440 0.9547 0.9582 1.3955 1.3974 1.7355 1.7366 2.1452 2.1489 2.2993 2.3050 2.8195 2.8253 3.2206 3.2269 3.7244 3.7309 4.0432 4.0510 4.1865 4.1920 4.3001 4.3034 4.7969 4.7973 4.8641 4.8673 5.4511 5.4543 5.9466 5.9511 6.1309 6.1345 6.3630 6.3646 6.6632 6.6636 7.0351 7.0365 13.4809 13.4855 13.6811 13.6818 14.6817 14.6932 14.8475 14.8524 15.6046 15.6100 16.5416 16.5496 k = 0.1750 0.4768 0.2716 ( 4144 PWs) bands (ev): -13.3743 -13.3740 -12.8101 -12.8099 -12.2665 -12.2664 -11.7452 -11.7451 -11.3291 -11.3269 -11.2566 -11.2557 -10.7764 -10.7756 -10.5440 -10.5430 -1.9323 -1.9309 -1.3985 -1.3967 -0.5378 -0.5346 0.3191 0.3224 0.4818 0.4847 0.9275 0.9310 1.3863 1.3884 1.7274 1.7286 2.1118 2.1152 2.2914 2.2966 2.8331 2.8389 3.2249 3.2315 3.7450 3.7513 4.0548 4.0630 4.1985 4.2041 4.2951 4.2981 4.8001 4.8018 4.8752 4.8773 5.4754 5.4785 5.9574 5.9618 6.1538 6.1575 6.3600 6.3617 6.6566 6.6571 7.0388 7.0402 13.4682 13.4727 13.6867 13.6875 14.6891 14.7007 14.8446 14.8496 15.5880 15.5935 16.5300 16.5376 k = 0.1875 0.4768 0.2716 ( 4144 PWs) bands (ev): -13.3562 -13.3558 -12.7938 -12.7936 -12.2565 -12.2563 -11.7417 -11.7415 -11.3378 -11.3355 -11.2607 -11.2598 -10.8045 -10.8036 -10.5669 -10.5658 -1.9621 -1.9607 -1.4282 -1.4264 -0.5113 -0.5080 0.3334 0.3367 0.5314 0.5344 0.9031 0.9066 1.3761 1.3782 1.7164 1.7177 2.0770 2.0800 2.2875 2.2921 2.8470 2.8528 3.2301 3.2368 3.7642 3.7703 4.0652 4.0737 4.2132 4.2190 4.2897 4.2923 4.8029 4.8058 4.8880 4.8894 5.4980 5.5011 5.9692 5.9736 6.1757 6.1795 6.3570 6.3591 6.6501 6.6509 7.0431 7.0445 13.4552 13.4597 13.6915 13.6923 14.6982 14.7098 14.8409 14.8461 15.5737 15.5792 16.5195 16.5268 k = 0.2000 0.4768 0.2716 ( 4144 PWs) bands (ev): -13.3370 -13.3366 -12.7766 -12.7764 -12.2458 -12.2457 -11.7381 -11.7379 -11.3468 -11.3445 -11.2652 -11.2644 -10.8335 -10.8326 -10.5908 -10.5897 -1.9904 -1.9889 -1.4572 -1.4554 -0.4892 -0.4858 0.3440 0.3472 0.5854 0.5885 0.8820 0.8854 1.3649 1.3671 1.7027 1.7042 2.0416 2.0441 2.2874 2.2914 2.8609 2.8667 3.2363 3.2432 3.7816 3.7876 4.0745 4.0832 4.2310 4.2368 4.2840 4.2859 4.8057 4.8096 4.9017 4.9029 5.5187 5.5217 5.9820 5.9863 6.1962 6.2002 6.3544 6.3567 6.6442 6.6451 7.0481 7.0495 13.4422 13.4466 13.6953 13.6961 14.7086 14.7201 14.8370 14.8422 15.5620 15.5674 16.5103 16.5172 k = 0.2125 0.4768 0.2716 ( 4144 PWs) bands (ev): -13.3169 -13.3165 -12.7586 -12.7584 -12.2347 -12.2345 -11.7345 -11.7343 -11.3562 -11.3538 -11.2703 -11.2695 -10.8634 -10.8625 -10.6157 -10.6145 -2.0171 -2.0156 -1.4852 -1.4834 -0.4717 -0.4684 0.3527 0.3557 0.6412 0.6444 0.8648 0.8681 1.3529 1.3551 1.6866 1.6883 2.0060 2.0082 2.2910 2.2945 2.8744 2.8801 3.2437 3.2507 3.7969 3.8027 4.0827 4.0916 4.2514 4.2572 4.2784 4.2800 4.8087 4.8132 4.9159 4.9174 5.5371 5.5401 5.9954 5.9995 6.2150 6.2190 6.3521 6.3547 6.6389 6.6402 7.0539 7.0553 13.4293 13.4335 13.6979 13.6987 14.7200 14.7314 14.8331 14.8383 15.5531 15.5585 16.5022 16.5087 k = 0.2250 0.4768 0.2716 ( 4142 PWs) bands (ev): -13.2958 -13.2954 -12.7398 -12.7396 -12.2230 -12.2228 -11.7309 -11.7308 -11.3660 -11.3636 -11.2759 -11.2753 -10.8940 -10.8930 -10.6413 -10.6401 -2.0422 -2.0408 -1.5120 -1.5103 -0.4589 -0.4556 0.3599 0.3627 0.6971 0.7003 0.8521 0.8552 1.3403 1.3426 1.6686 1.6704 1.9710 1.9730 2.2977 2.3009 2.8873 2.8929 3.2522 3.2593 3.8101 3.8156 4.0900 4.0989 4.2645 4.2710 4.2795 4.2873 4.8119 4.8170 4.9304 4.9321 5.5531 5.5561 6.0090 6.0128 6.2317 6.2357 6.3504 6.3530 6.6348 6.6363 7.0606 7.0619 13.4166 13.4207 13.6992 13.6999 14.7322 14.7433 14.8298 14.8350 15.5473 15.5526 16.4954 16.5015 k = 0.2375 0.4768 0.2716 ( 4138 PWs) bands (ev): -13.2739 -13.2734 -12.7203 -12.7201 -12.2109 -12.2107 -11.7275 -11.7273 -11.3761 -11.3737 -11.2821 -11.2816 -10.9250 -10.9241 -10.6676 -10.6663 -2.0659 -2.0645 -1.5376 -1.5359 -0.4506 -0.4473 0.3653 0.3679 0.7519 0.7553 0.8447 0.8474 1.3271 1.3295 1.6491 1.6511 1.9373 1.9390 2.3072 2.3103 2.8992 2.9047 3.2620 3.2691 3.8212 3.8266 4.0963 4.1053 4.2603 4.2637 4.3064 4.3130 4.8153 4.8207 4.9447 4.9467 5.5668 5.5698 6.0221 6.0256 6.2459 6.2500 6.3491 6.3518 6.6322 6.6339 7.0683 7.0696 13.4043 13.4082 13.6990 13.6997 14.7447 14.7554 14.8274 14.8325 15.5448 15.5500 16.4897 16.4953 k = 0.2500 0.4768 0.2716 ( 4136 PWs) bands (ev): -13.2511 -13.2507 -12.7003 -12.7000 -12.1984 -12.1982 -11.7241 -11.7239 -11.3866 -11.3841 -11.2890 -11.2885 -10.9563 -10.9553 -10.6943 -10.6930 -2.0881 -2.0867 -1.5619 -1.5603 -0.4463 -0.4432 0.3684 0.3707 0.8026 0.8063 0.8451 0.8473 1.3136 1.3160 1.6286 1.6308 1.9054 1.9070 2.3191 2.3221 2.9100 2.9153 3.2731 3.2800 3.8305 3.8358 4.1017 4.1108 4.2536 4.2560 4.3371 4.3434 4.8188 4.8243 4.9587 4.9608 5.5783 5.5814 6.0340 6.0372 6.2576 6.2617 6.3482 6.3509 6.6315 6.6335 7.0770 7.0783 13.3924 13.3961 13.6971 13.6978 14.7571 14.7673 14.8262 14.8313 15.5459 15.5509 16.4850 16.4903 k = 0.2625 0.4768 0.2716 ( 4132 PWs) bands (ev): -13.2277 -13.2272 -12.6796 -12.6794 -12.1855 -12.1853 -11.7209 -11.7208 -11.3974 -11.3949 -11.2966 -11.2961 -10.9876 -10.9866 -10.7214 -10.7201 -2.1089 -2.1075 -1.5849 -1.5833 -0.4456 -0.4426 0.3688 0.3708 0.8307 0.8344 0.8704 0.8735 1.2999 1.3024 1.6073 1.6097 1.8763 1.8777 2.3328 2.3358 2.9196 2.9245 3.2853 3.2922 3.8385 3.8436 4.1062 4.1154 4.2465 4.2482 4.3705 4.3766 4.8220 4.8277 4.9721 4.9742 5.5878 5.5911 6.0441 6.0470 6.2668 6.2710 6.3475 6.3499 6.6331 6.6353 7.0869 7.0880 13.3811 13.3846 13.6936 13.6943 14.7690 14.7786 14.8267 14.8319 15.5507 15.5556 16.4812 16.4861 k = 0.2750 0.4768 0.2716 ( 4128 PWs) bands (ev): -13.2036 -13.2032 -12.6586 -12.6584 -12.1723 -12.1721 -11.7180 -11.7178 -11.4085 -11.4059 -11.3048 -11.3045 -11.0187 -11.0177 -10.7487 -10.7473 -2.1282 -2.1269 -1.6065 -1.6050 -0.4479 -0.4450 0.3665 0.3682 0.8398 0.8425 0.9177 0.9207 1.2861 1.2887 1.5854 1.5880 1.8509 1.8522 2.3477 2.3509 2.9278 2.9324 3.2988 3.3055 3.8454 3.8505 4.1098 4.1191 4.2396 4.2407 4.4061 4.4121 4.8249 4.8306 4.9848 4.9868 5.5957 5.5993 6.0516 6.0543 6.2737 6.2781 6.3464 6.3485 6.6374 6.6398 7.0977 7.0988 13.3704 13.3739 13.6883 13.6891 14.7798 14.7886 14.8292 14.8345 15.5593 15.5641 16.4782 16.4826 k = 0.2875 0.4768 0.2716 ( 4128 PWs) bands (ev): -13.1791 -13.1786 -12.6373 -12.6370 -12.1588 -12.1586 -11.7153 -11.7151 -11.4200 -11.4173 -11.3139 -11.3136 -11.0492 -11.0482 -10.7759 -10.7745 -2.1462 -2.1449 -1.6268 -1.6253 -0.4526 -0.4499 0.3616 0.3630 0.8486 0.8507 0.9654 0.9683 1.2725 1.2752 1.5631 1.5657 1.8301 1.8313 2.3635 2.3669 2.9345 2.9387 3.3133 3.3199 3.8516 3.8568 4.1125 4.1220 4.2330 4.2336 4.4435 4.4493 4.8269 4.8325 4.9966 4.9985 5.6024 5.6062 6.0560 6.0586 6.2787 6.2833 6.3444 6.3461 6.6447 6.6472 7.1096 7.1106 13.3606 13.3638 13.6814 13.6823 14.7894 14.7973 14.8338 14.8393 15.5719 15.5765 16.4755 16.4797 k = 0.3000 0.4768 0.2716 ( 4132 PWs) bands (ev): -13.1541 -13.1536 -12.6158 -12.6155 -12.1452 -12.1450 -11.7129 -11.7127 -11.4317 -11.4290 -11.3239 -11.3236 -11.0790 -11.0779 -10.8029 -10.8015 -2.1628 -2.1616 -1.6457 -1.6443 -0.4593 -0.4568 0.3544 0.3557 0.8588 0.8605 1.0103 1.0130 1.2593 1.2622 1.5403 1.5429 1.8151 1.8161 2.3795 2.3831 2.9399 2.9437 3.3288 3.3351 3.8574 3.8627 4.1144 4.1241 4.2267 4.2274 4.4822 4.4879 4.8278 4.8333 5.0077 5.0094 5.6082 5.6121 6.0571 6.0595 6.2821 6.2871 6.3412 6.3424 6.6549 6.6575 7.1222 7.1232 13.3516 13.3547 13.6730 13.6739 14.7976 14.8046 14.8405 14.8460 15.5885 15.5929 16.4732 16.4771 k = 0.3125 0.4768 0.2716 ( 4132 PWs) bands (ev): -13.1288 -13.1283 -12.5942 -12.5939 -12.1314 -12.1312 -11.7109 -11.7106 -11.4436 -11.4409 -11.3348 -11.3345 -11.1077 -11.1066 -10.8295 -10.8280 -2.1782 -2.1771 -1.6633 -1.6619 -0.4675 -0.4651 0.3456 0.3467 0.8699 0.8713 1.0510 1.0535 1.2473 1.2504 1.5169 1.5194 1.8067 1.8076 2.3953 2.3991 2.9440 2.9473 3.3450 3.3512 3.8632 3.8685 4.1156 4.1254 4.2209 4.2221 4.5218 4.5275 4.8272 4.8325 5.0180 5.0195 5.6135 5.6175 6.0546 6.0569 6.2843 6.2896 6.3366 6.3374 6.6680 6.6706 7.1356 7.1365 13.3435 13.3464 13.6631 13.6641 14.8046 14.8109 14.8488 14.8541 15.6090 15.6132 16.4707 16.4745 k = 0.3250 0.4768 0.2716 ( 4132 PWs) bands (ev): -13.1034 -13.1029 -12.5727 -12.5725 -12.1176 -12.1174 -11.7091 -11.7088 -11.4559 -11.4532 -11.3466 -11.3463 -11.1350 -11.1339 -10.8554 -10.8539 -2.1923 -2.1912 -1.6795 -1.6782 -0.4767 -0.4745 0.3356 0.3366 0.8812 0.8825 1.0860 1.0881 1.2372 1.2407 1.4929 1.4953 1.8056 1.8063 2.4103 2.4144 2.9469 2.9496 3.3619 3.3679 3.8689 3.8744 4.1163 4.1262 4.2161 4.2177 4.5620 4.5676 4.8247 4.8297 5.0278 5.0291 5.6185 5.6226 6.0485 6.0508 6.2854 6.2910 6.3304 6.3312 6.6836 6.6861 7.1494 7.1502 13.3363 13.3391 13.6519 13.6530 14.8110 14.8166 14.8581 14.8631 15.6333 15.6374 16.4679 16.4715 k = 0.3375 0.4768 0.2716 ( 4134 PWs) bands (ev): -13.0780 -13.0775 -12.5515 -12.5513 -12.1039 -12.1037 -11.7077 -11.7074 -11.4683 -11.4656 -11.3595 -11.3592 -11.1606 -11.1595 -10.8805 -10.8790 -2.2052 -2.2042 -1.6944 -1.6932 -0.4865 -0.4845 0.3249 0.3259 0.8922 0.8934 1.1133 1.1148 1.2307 1.2347 1.4686 1.4707 1.8121 1.8127 2.4240 2.4283 2.9486 2.9509 3.3791 3.3849 3.8748 3.8804 4.1168 4.1266 4.2123 4.2142 4.6025 4.6079 4.8200 4.8248 5.0370 5.0383 5.6236 5.6276 6.0390 6.0412 6.2855 6.2913 6.3230 6.3240 6.7012 6.7036 7.1635 7.1642 13.3301 13.3328 13.6397 13.6409 14.8168 14.8220 14.8681 14.8726 15.6612 15.6651 16.4643 16.4678 k = 0.3500 0.4768 0.2716 ( 4134 PWs) bands (ev): -13.0528 -13.0523 -12.5307 -12.5305 -12.0904 -12.0902 -11.7065 -11.7061 -11.4810 -11.4782 -11.3734 -11.3730 -11.1844 -11.1833 -10.9045 -10.9030 -2.2170 -2.2160 -1.7081 -1.7069 -0.4967 -0.4948 0.3140 0.3149 0.9024 0.9036 1.1307 1.1314 1.2300 1.2346 1.4443 1.4461 1.8259 1.8265 2.4361 2.4406 2.9495 2.9513 3.3965 3.4021 3.8808 3.8864 4.1173 4.1269 4.2094 4.2116 4.6427 4.6479 4.8132 4.8178 5.0457 5.0473 5.6289 5.6328 6.0263 6.0285 6.2847 6.2906 6.3148 6.3160 6.7203 6.7225 7.1776 7.1782 13.3250 13.3275 13.6268 13.6280 14.8222 14.8270 14.8785 14.8825 15.6924 15.6962 16.4596 16.4630 k = 0.3625 0.4768 0.2716 ( 4132 PWs) bands (ev): -13.0280 -13.0275 -12.5106 -12.5104 -12.0773 -12.0770 -11.7054 -11.7050 -11.4937 -11.4910 -11.3883 -11.3878 -11.2060 -11.2049 -10.9271 -10.9257 -2.2276 -2.2267 -1.7205 -1.7194 -0.5069 -0.5052 0.3031 0.3039 0.9116 0.9129 1.1375 1.1378 1.2356 1.2405 1.4206 1.4220 1.8465 1.8470 2.4460 2.4507 2.9495 2.9510 3.4137 3.4191 3.8868 3.8924 4.1182 4.1275 4.2076 4.2098 4.6818 4.6867 4.8049 4.8092 5.0540 5.0559 5.6346 5.6384 6.0105 6.0128 6.2831 6.2890 6.3063 6.3077 6.7401 6.7422 7.1914 7.1920 13.3208 13.3231 13.6133 13.6145 14.8271 14.8315 14.8891 14.8925 15.7265 15.7302 16.4533 16.4566 k = 0.3750 0.4768 0.2716 ( 4134 PWs) bands (ev): -13.0038 -13.0033 -12.4914 -12.4912 -12.0646 -12.0643 -11.7044 -11.7039 -11.5063 -11.5037 -11.4042 -11.4036 -11.2253 -11.2243 -10.9483 -10.9469 -2.2372 -2.2363 -1.7317 -1.7307 -0.5169 -0.5153 0.2925 0.2933 0.9197 0.9210 1.1368 1.1370 1.2444 1.2494 1.3980 1.3991 1.8728 1.8733 2.4534 2.4582 2.9489 2.9503 3.4306 3.4358 3.8926 3.8980 4.1199 4.1288 4.2066 4.2088 4.7178 4.7218 4.7972 4.8012 5.0619 5.0641 5.6408 5.6444 5.9921 5.9944 6.2807 6.2861 6.2982 6.2996 6.7602 6.7621 7.2048 7.2053 13.3175 13.3197 13.5995 13.6008 14.8315 14.8356 14.8998 14.9027 15.7633 15.7669 16.4450 16.4482 k = 0.3875 0.4768 0.2716 ( 4134 PWs) bands (ev): -12.9805 -12.9801 -12.4732 -12.4730 -12.0525 -12.0523 -11.7032 -11.7026 -11.5187 -11.5162 -11.4208 -11.4202 -11.2423 -11.2413 -10.9678 -10.9665 -2.2457 -2.2449 -1.7417 -1.7408 -0.5264 -0.5251 0.2824 0.2832 0.9266 0.9279 1.1327 1.1329 1.2525 1.2575 1.3778 1.3785 1.9037 1.9042 2.4580 2.4629 2.9479 2.9493 3.4468 3.4518 3.8980 3.9032 4.1227 4.1310 4.2065 4.2086 4.7420 4.7440 4.7987 4.8032 5.0690 5.0717 5.6477 5.6509 5.9714 5.9737 6.2772 6.2815 6.2915 6.2923 6.7800 6.7818 7.2175 7.2179 13.3152 13.3173 13.5857 13.5870 14.8354 14.8391 14.9105 14.9129 15.8024 15.8059 16.4342 16.4374 k = 0.4000 0.4768 0.2716 ( 4126 PWs) bands (ev): -12.9584 -12.9580 -12.4563 -12.4561 -12.0413 -12.0411 -11.7017 -11.7010 -11.5307 -11.5282 -11.4380 -11.4375 -11.2570 -11.2561 -10.9855 -10.9843 -2.2532 -2.2525 -1.7506 -1.7498 -0.5354 -0.5342 0.2731 0.2738 0.9323 0.9335 1.1278 1.1280 1.2570 1.2617 1.3612 1.3616 1.9378 1.9383 2.4597 2.4646 2.9468 2.9483 3.4621 3.4668 3.9027 3.9077 4.1267 4.1343 4.2072 4.2091 4.7408 4.7437 4.8210 4.8267 5.0753 5.0783 5.6553 5.6582 5.9488 5.9511 6.2725 6.2751 6.2861 6.2872 6.7991 6.8006 7.2292 7.2296 13.3138 13.3157 13.5723 13.5736 14.8387 14.8420 14.9209 14.9229 15.8433 15.8468 16.4205 16.4237 k = 0.4125 0.4768 0.2716 ( 4126 PWs) bands (ev): -12.9377 -12.9373 -12.4409 -12.4407 -12.0311 -12.0308 -11.6997 -11.6990 -11.5418 -11.5395 -11.4557 -11.4552 -11.2695 -11.2687 -11.0013 -11.0001 -2.2597 -2.2591 -1.7583 -1.7576 -0.5436 -0.5426 0.2647 0.2653 0.9369 0.9380 1.1235 1.1237 1.2560 1.2602 1.3497 1.3499 1.9738 1.9743 2.4583 2.4631 2.9456 2.9472 3.4763 3.4807 3.9067 3.9114 4.1317 4.1387 4.2087 4.2104 4.7274 4.7307 4.8537 4.8597 5.0803 5.0837 5.6638 5.6662 5.9247 5.9269 6.2667 6.2680 6.2817 6.2836 6.8169 6.8183 7.2400 7.2403 13.3131 13.3148 13.5594 13.5606 14.8415 14.8445 14.9309 14.9325 15.8858 15.8892 16.4036 16.4069 k = 0.4250 0.4768 0.2716 ( 4114 PWs) bands (ev): -12.9188 -12.9185 -12.4272 -12.4270 -12.0219 -12.0217 -11.6970 -11.6962 -11.5518 -11.5496 -11.4736 -11.4731 -11.2798 -11.2791 -11.0150 -11.0140 -2.2653 -2.2648 -1.7650 -1.7644 -0.5510 -0.5501 0.2572 0.2577 0.9403 0.9414 1.1205 1.1206 1.2491 1.2527 1.3436 1.3440 2.0104 2.0109 2.4540 2.4586 2.9445 2.9462 3.4891 3.4931 3.9099 3.9141 4.1376 4.1437 4.2112 4.2126 4.7107 4.7139 4.8880 4.8940 5.0837 5.0875 5.6732 5.6751 5.8997 5.9019 6.2607 6.2612 6.2784 6.2806 6.8332 6.8343 7.2495 7.2498 13.3130 13.3146 13.5473 13.5485 14.8439 14.8465 14.9401 14.9415 15.9292 15.9327 16.3833 16.3866 k = 0.4375 0.4768 0.2716 ( 4116 PWs) bands (ev): -12.9021 -12.9018 -12.4153 -12.4152 -12.0141 -12.0139 -11.6936 -11.6929 -11.5603 -11.5582 -11.4913 -11.4908 -11.2882 -11.2876 -11.0267 -11.0258 -2.2700 -2.2695 -1.7706 -1.7700 -0.5574 -0.5566 0.2507 0.2512 0.9428 0.9437 1.1191 1.1191 1.2382 1.2411 1.3416 1.3422 2.0461 2.0467 2.4471 2.4514 2.9437 2.9453 3.5004 3.5039 3.9123 3.9159 4.1436 4.1490 4.2145 4.2157 4.6934 4.6963 4.9213 4.9272 5.0850 5.0892 5.6837 5.6851 5.8743 5.8763 6.2550 6.2551 6.2758 6.2779 6.8475 6.8484 7.2578 7.2580 13.3135 13.3148 13.5365 13.5375 14.8458 14.8480 14.9484 14.9495 15.9734 15.9768 16.3595 16.3628 k = 0.4500 0.4768 0.2716 ( 4116 PWs) bands (ev): -12.8877 -12.8875 -12.4055 -12.4054 -12.0076 -12.0075 -11.6898 -11.6890 -11.5667 -11.5648 -11.5084 -11.5081 -11.2948 -11.2943 -11.0363 -11.0356 -2.2737 -2.2734 -1.7751 -1.7746 -0.5627 -0.5621 0.2453 0.2457 0.9445 0.9453 1.1193 1.1194 1.2257 1.2279 1.3419 1.3425 2.0796 2.0803 2.4382 2.4421 2.9431 2.9445 3.5099 3.5128 3.9139 3.9170 4.1494 4.1538 4.2186 4.2197 4.6769 4.6795 4.9526 4.9584 5.0839 5.0884 5.6954 5.6964 5.8491 5.8509 6.2500 6.2500 6.2737 6.2756 6.8596 6.8604 7.2646 7.2648 13.3143 13.3154 13.5271 13.5280 14.8474 14.8491 14.9556 14.9564 16.0177 16.0211 16.3322 16.3354 k = 0.4625 0.4768 0.2716 ( 4108 PWs) bands (ev): -12.8762 -12.8760 -12.3978 -12.3977 -12.0026 -12.0025 -11.6857 -11.6850 -11.5705 -11.5689 -11.5245 -11.5243 -11.2997 -11.2993 -11.0437 -11.0432 -2.2766 -2.2764 -1.7786 -1.7782 -0.5669 -0.5664 0.2411 0.2414 0.9456 0.9462 1.1209 1.1211 1.2134 1.2151 1.3429 1.3434 2.1092 2.1099 2.4285 2.4317 2.9428 2.9439 3.5176 3.5199 3.9151 3.9174 4.1543 4.1576 4.2232 4.2241 4.6625 4.6646 4.9812 4.9870 5.0799 5.0847 5.7086 5.7091 5.8245 5.8261 6.2459 6.2460 6.2722 6.2736 6.8693 6.8699 7.2700 7.2702 13.3152 13.3161 13.5194 13.5201 14.8486 14.8499 14.9614 14.9620 16.0619 16.0653 16.3015 16.3048 k = 0.4750 0.4768 0.2716 ( 4114 PWs) bands (ev): -12.8677 -12.8676 -12.3922 -12.3922 -11.9990 -11.9989 -11.6820 -11.6815 -11.5713 -11.5699 -11.5391 -11.5388 -11.3031 -11.3029 -11.0490 -11.0486 -2.2787 -2.2785 -1.7810 -1.7808 -0.5699 -0.5696 0.2381 0.2383 0.9463 0.9466 1.1234 1.1236 1.2029 1.2041 1.3441 1.3444 2.1330 2.1337 2.4194 2.4217 2.9426 2.9435 3.5233 3.5249 3.9158 3.9175 4.1580 4.1602 4.2274 4.2281 4.6513 4.6528 5.0068 5.0125 5.0727 5.0777 5.7234 5.7235 5.8011 5.8025 6.2429 6.2430 6.2711 6.2721 6.8764 6.8767 7.2739 7.2740 13.3161 13.3167 13.5137 13.5142 14.8496 14.8504 14.9656 14.9660 16.1052 16.1085 16.2680 16.2712 k = 0.4875 0.4768 0.2716 ( 4114 PWs) bands (ev): -12.8625 -12.8625 -12.3889 -12.3889 -11.9968 -11.9968 -11.6793 -11.6790 -11.5689 -11.5678 -11.5513 -11.5508 -11.3051 -11.3049 -11.0521 -11.0519 -2.2799 -2.2798 -1.7825 -1.7824 -0.5717 -0.5715 0.2363 0.2364 0.9466 0.9468 1.1258 1.1259 1.1958 1.1964 1.3449 1.3451 2.1489 2.1492 2.4129 2.4142 2.9427 2.9431 3.5269 3.5277 3.9164 3.9172 4.1604 4.1615 4.2305 4.2309 4.6443 4.6451 5.0288 5.0343 5.0619 5.0671 5.7394 5.7398 5.7795 5.7806 6.2411 6.2412 6.2706 6.2711 6.8807 6.8809 7.2763 7.2763 13.3167 13.3170 13.5103 13.5106 14.8502 14.8506 14.9683 14.9685 16.1466 16.1498 16.2325 16.2357 k = 0.5000 0.4768 0.2716 ( 4120 PWs) bands (ev): -12.8608 -12.8608 -12.3878 -12.3878 -11.9961 -11.9961 -11.6783 -11.6783 -11.5648 -11.5648 -11.5579 -11.5579 -11.3057 -11.3057 -11.0531 -11.0531 -2.2803 -2.2803 -1.7829 -1.7829 -0.5722 -0.5722 0.2358 0.2358 0.9468 0.9468 1.1268 1.1268 1.1934 1.1934 1.3452 1.3452 2.1546 2.1546 2.4109 2.4109 2.9428 2.9428 3.5284 3.5284 3.9169 3.9169 4.1616 4.1616 4.2318 4.2318 4.6421 4.6421 5.0467 5.0467 5.0532 5.0532 5.7532 5.7532 5.7645 5.7645 6.2406 6.2406 6.2706 6.2706 6.8822 6.8822 7.2771 7.2771 13.3171 13.3171 13.5092 13.5092 14.8505 14.8505 14.9693 14.9693 16.1769 16.1769 16.2073 16.2073 k = 0.5000 0.4768 0.2716 ( 4120 PWs) bands (ev): -12.8608 -12.8608 -12.3878 -12.3878 -11.9961 -11.9961 -11.6783 -11.6783 -11.5648 -11.5648 -11.5579 -11.5579 -11.3057 -11.3057 -11.0531 -11.0531 -2.2803 -2.2803 -1.7829 -1.7829 -0.5722 -0.5722 0.2358 0.2358 0.9468 0.9468 1.1268 1.1268 1.1934 1.1934 1.3452 1.3452 2.1546 2.1546 2.4109 2.4109 2.9428 2.9428 3.5284 3.5284 3.9169 3.9169 4.1616 4.1616 4.2318 4.2318 4.6421 4.6421 5.0467 5.0467 5.0532 5.0532 5.7532 5.7532 5.7645 5.7645 6.2406 6.2406 6.2706 6.2706 6.8822 6.8822 7.2771 7.2771 13.3171 13.3171 13.5092 13.5092 14.8505 14.8505 14.9693 14.9693 16.1769 16.1769 16.2073 16.2073 k = 0.5000 0.4827 0.2612 ( 4114 PWs) bands (ev): -12.8604 -12.8603 -12.3903 -12.3902 -11.9941 -11.9940 -11.6802 -11.6800 -11.5648 -11.5647 -11.5565 -11.5563 -11.3051 -11.3049 -11.0533 -11.0532 -2.2808 -2.2807 -1.7847 -1.7846 -0.5700 -0.5697 0.2358 0.2361 0.9436 0.9439 1.1272 1.1274 1.1978 1.1982 1.3452 1.3453 2.1543 2.1545 2.4108 2.4108 2.9433 2.9434 3.5254 3.5254 3.9149 3.9150 4.1626 4.1632 4.2320 4.2329 4.6430 4.6436 5.0461 5.0461 5.0526 5.0526 5.7521 5.7524 5.7645 5.7646 6.2405 6.2406 6.2707 6.2710 6.8827 6.8828 7.2766 7.2766 13.3178 13.3180 13.5089 13.5092 14.8499 14.8501 14.9681 14.9682 16.1749 16.1755 16.2063 16.2066 k = 0.5000 0.4886 0.2508 ( 4112 PWs) bands (ev): -12.8592 -12.8591 -12.3976 -12.3974 -11.9882 -11.9880 -11.6855 -11.6852 -11.5646 -11.5643 -11.5523 -11.5519 -11.3032 -11.3028 -11.0538 -11.0537 -2.2823 -2.2822 -1.7900 -1.7898 -0.5632 -0.5627 0.2361 0.2367 0.9351 0.9356 1.1286 1.1289 1.2107 1.2114 1.3452 1.3453 2.1537 2.1540 2.4105 2.4105 2.9449 2.9452 3.5166 3.5166 3.9091 3.9094 4.1658 4.1668 4.2339 4.2357 4.6463 4.6474 5.0443 5.0443 5.0508 5.0509 5.7493 5.7498 5.7647 5.7649 6.2405 6.2405 6.2715 6.2720 6.8845 6.8846 7.2751 7.2753 13.3201 13.3206 13.5083 13.5088 14.8483 14.8487 14.9648 14.9648 16.1695 16.1708 16.2036 16.2041 k = 0.5000 0.4945 0.2404 ( 4112 PWs) bands (ev): -12.8572 -12.8571 -12.4093 -12.4090 -11.9788 -11.9786 -11.6936 -11.6933 -11.5643 -11.5638 -11.5459 -11.5454 -11.3001 -11.2995 -11.0547 -11.0545 -2.2848 -2.2845 -1.7984 -1.7981 -0.5521 -0.5513 0.2367 0.2377 0.9229 0.9235 1.1308 1.1313 1.2304 1.2315 1.3452 1.3453 2.1527 2.1532 2.4099 2.4100 2.9476 2.9480 3.5023 3.5024 3.8998 3.9002 4.1698 4.1713 4.2384 4.2409 4.6516 4.6532 5.0413 5.0413 5.0479 5.0481 5.7447 5.7455 5.7650 5.7654 6.2404 6.2404 6.2728 6.2734 6.8874 6.8876 7.2727 7.2729 13.3241 13.3247 13.5073 13.5080 14.8457 14.8464 14.9593 14.9593 16.1610 16.1627 16.1992 16.2000 k = 0.5000 0.4945 0.2404 ( 4112 PWs) bands (ev): -12.8572 -12.8571 -12.4093 -12.4090 -11.9788 -11.9786 -11.6936 -11.6933 -11.5643 -11.5638 -11.5459 -11.5454 -11.3001 -11.2995 -11.0547 -11.0545 -2.2848 -2.2845 -1.7984 -1.7981 -0.5521 -0.5513 0.2367 0.2377 0.9229 0.9235 1.1308 1.1313 1.2304 1.2315 1.3452 1.3453 2.1527 2.1532 2.4099 2.4100 2.9476 2.9480 3.5023 3.5024 3.8998 3.9002 4.1698 4.1713 4.2384 4.2409 4.6516 4.6532 5.0413 5.0413 5.0479 5.0481 5.7447 5.7455 5.7650 5.7654 6.2404 6.2404 6.2728 6.2734 6.8874 6.8876 7.2727 7.2729 13.3241 13.3247 13.5073 13.5080 14.8457 14.8464 14.9593 14.9593 16.1610 16.1627 16.1992 16.2000 k = 0.5000 0.4937 0.2281 ( 4116 PWs) bands (ev): -12.8540 -12.8539 -12.4167 -12.4164 -11.9741 -11.9739 -11.6996 -11.6992 -11.5621 -11.5616 -11.5423 -11.5417 -11.2983 -11.2976 -11.0562 -11.0559 -2.2880 -2.2878 -1.8135 -1.8131 -0.5333 -0.5323 0.2337 0.2350 0.9041 0.9048 1.1377 1.1384 1.2577 1.2590 1.3459 1.3461 2.1536 2.1542 2.4101 2.4101 2.9485 2.9488 3.4909 3.4912 3.8946 3.8951 4.1622 4.1631 4.2502 4.2522 4.6560 4.6575 5.0364 5.0367 5.0421 5.0426 5.7419 5.7427 5.7653 5.7657 6.2413 6.2414 6.2737 6.2744 6.8920 6.8924 7.2704 7.2706 13.3260 13.3268 13.5054 13.5063 14.8394 14.8400 14.9537 14.9538 16.1512 16.1534 16.1933 16.1943 k = 0.5000 0.4929 0.2157 ( 4118 PWs) bands (ev): -12.8504 -12.8503 -12.4254 -12.4250 -11.9691 -11.9689 -11.7061 -11.7057 -11.5593 -11.5587 -11.5385 -11.5378 -11.2961 -11.2953 -11.0581 -11.0577 -2.2919 -2.2917 -1.8326 -1.8321 -0.5092 -0.5080 0.2292 0.2308 0.8835 0.8842 1.1468 1.1477 1.2884 1.2898 1.3475 1.3479 2.1555 2.1561 2.4101 2.4101 2.9489 2.9491 3.4775 3.4781 3.8895 3.8902 4.1501 4.1506 4.2659 4.2674 4.6599 4.6612 5.0302 5.0307 5.0359 5.0370 5.7388 5.7396 5.7654 5.7657 6.2421 6.2423 6.2744 6.2751 6.8981 6.8985 7.2677 7.2680 13.3279 13.3287 13.5033 13.5043 14.8313 14.8319 14.9467 14.9468 16.1397 16.1423 16.1855 16.1867 k = 0.5000 0.4921 0.2034 ( 4124 PWs) bands (ev): -12.8463 -12.8461 -12.4350 -12.4346 -11.9638 -11.9636 -11.7128 -11.7124 -11.5560 -11.5554 -11.5346 -11.5339 -11.2934 -11.2926 -11.0603 -11.0598 -2.2963 -2.2961 -1.8550 -1.8544 -0.4807 -0.4793 0.2233 0.2251 0.8627 0.8634 1.1575 1.1586 1.3210 1.3225 1.3501 1.3505 2.1583 2.1591 2.4100 2.4101 2.9487 2.9489 3.4621 3.4630 3.8847 3.8855 4.1359 4.1361 4.2829 4.2840 4.6631 4.6642 5.0227 5.0230 5.0300 5.0313 5.7355 5.7363 5.7652 5.7655 6.2429 6.2431 6.2748 6.2755 6.9054 6.9059 7.2647 7.2650 13.3298 13.3307 13.5007 13.5018 14.8217 14.8224 14.9383 14.9384 16.1267 16.1297 16.1760 16.1775 k = 0.5000 0.4913 0.1910 ( 4124 PWs) bands (ev): -12.8417 -12.8415 -12.4455 -12.4451 -11.9583 -11.9580 -11.7199 -11.7195 -11.5522 -11.5515 -11.5306 -11.5298 -11.2903 -11.2894 -11.0628 -11.0622 -2.3010 -2.3008 -1.8800 -1.8794 -0.4486 -0.4470 0.2162 0.2182 0.8425 0.8432 1.1697 1.1710 1.3529 1.3536 1.3550 1.3564 2.1623 2.1633 2.4101 2.4102 2.9480 2.9481 3.4448 3.4459 3.8801 3.8811 4.1207 4.1209 4.3004 4.3011 4.6656 4.6666 5.0142 5.0142 5.0240 5.0253 5.7321 5.7329 5.7648 5.7651 6.2436 6.2440 6.2750 6.2756 6.9140 6.9145 7.2614 7.2617 13.3316 13.3326 13.4977 13.4990 14.8108 14.8115 14.9286 14.9287 16.1125 16.1157 16.1650 16.1667 k = 0.5000 0.4905 0.1787 ( 4124 PWs) bands (ev): -12.8366 -12.8364 -12.4568 -12.4564 -11.9526 -11.9524 -11.7271 -11.7267 -11.5481 -11.5473 -11.5265 -11.5258 -11.2867 -11.2857 -11.0657 -11.0650 -2.3061 -2.3059 -1.9070 -1.9063 -0.4138 -0.4120 0.2079 0.2102 0.8238 0.8245 1.1828 1.1842 1.3578 1.3584 1.3880 1.3896 2.1676 2.1687 2.4104 2.4105 2.9466 2.9467 3.4255 3.4269 3.8759 3.8771 4.1050 4.1055 4.3178 4.3182 4.6674 4.6682 5.0046 5.0050 5.0177 5.0190 5.7288 5.7295 5.7640 5.7643 6.2444 6.2447 6.2749 6.2755 6.9236 6.9241 7.2577 7.2580 13.3335 13.3346 13.4944 13.4958 14.7990 14.7997 14.9178 14.9179 16.0972 16.1008 16.1525 16.1544 k = 0.5000 0.4897 0.1664 ( 4124 PWs) bands (ev): -12.8311 -12.8309 -12.4688 -12.4683 -11.9468 -11.9466 -11.7345 -11.7341 -11.5436 -11.5428 -11.5226 -11.5217 -11.2826 -11.2816 -11.0689 -11.0682 -2.3113 -2.3111 -1.9354 -1.9347 -0.3771 -0.3751 0.1987 0.2011 0.8073 0.8078 1.1961 1.1975 1.3632 1.3639 1.4209 1.4226 2.1741 2.1754 2.4111 2.4112 2.9444 2.9445 3.4043 3.4059 3.8722 3.8736 4.0893 4.0900 4.3350 4.3352 4.6684 4.6690 4.9944 4.9952 5.0110 5.0123 5.7255 5.7262 5.7630 5.7633 6.2450 6.2454 6.2746 6.2751 6.9342 6.9348 7.2536 7.2540 13.3355 13.3366 13.4908 13.4922 14.7866 14.7872 14.9059 14.9060 16.0811 16.0850 16.1387 16.1410 k = 0.5000 0.4889 0.1540 ( 4126 PWs) bands (ev): -12.8252 -12.8249 -12.4813 -12.4808 -11.9410 -11.9407 -11.7420 -11.7416 -11.5390 -11.5381 -11.5187 -11.5178 -11.2781 -11.2770 -11.0725 -11.0717 -2.3165 -2.3163 -1.9646 -1.9639 -0.3393 -0.3372 0.1887 0.1913 0.7933 0.7937 1.2087 1.2102 1.3698 1.3708 1.4526 1.4544 2.1822 2.1836 2.4124 2.4125 2.9415 2.9415 3.3812 3.3829 3.8690 3.8706 4.0739 4.0748 4.3519 4.3519 4.6687 4.6691 4.9839 4.9851 5.0039 5.0053 5.7223 5.7230 5.7617 5.7620 6.2457 6.2461 6.2740 6.2745 6.9456 6.9462 7.2493 7.2496 13.3375 13.3387 13.4868 13.4883 14.7737 14.7744 14.8931 14.8932 16.0647 16.0687 16.1239 16.1264 k = 0.5000 0.4881 0.1417 ( 4124 PWs) bands (ev): -12.8187 -12.8184 -12.4943 -12.4938 -11.9351 -11.9348 -11.7496 -11.7492 -11.5342 -11.5333 -11.5150 -11.5141 -11.2731 -11.2719 -11.0765 -11.0756 -2.3216 -2.3214 -1.9942 -1.9934 -0.3013 -0.2990 0.1781 0.1809 0.7823 0.7826 1.2197 1.2211 1.3782 1.3793 1.4828 1.4847 2.1919 2.1935 2.4144 2.4144 2.9377 2.9378 3.3562 3.3581 3.8664 3.8682 4.0588 4.0599 4.3682 4.3684 4.6681 4.6684 4.9732 4.9749 4.9966 4.9980 5.7194 5.7201 5.7601 5.7604 6.2463 6.2468 6.2733 6.2737 6.9578 6.9583 7.2446 7.2450 13.3397 13.3409 13.4824 13.4841 14.7608 14.7615 14.8795 14.8797 16.0480 16.0523 16.1083 16.1111 k = 0.5000 0.4872 0.1293 ( 4114 PWs) bands (ev): -12.8118 -12.8115 -12.5076 -12.5071 -11.9292 -11.9289 -11.7571 -11.7568 -11.5294 -11.5285 -11.5114 -11.5104 -11.2677 -11.2664 -11.0808 -11.0799 -2.3265 -2.3262 -2.0238 -2.0230 -0.2637 -0.2613 0.1671 0.1700 0.7748 0.7750 1.2280 1.2294 1.3888 1.3901 1.5108 1.5128 2.2033 2.2051 2.4172 2.4172 2.9332 2.9332 3.3294 3.3315 3.8646 3.8665 4.0441 4.0455 4.3843 4.3846 4.6667 4.6668 4.9627 4.9646 4.9890 4.9905 5.7167 5.7174 5.7581 5.7584 6.2469 6.2474 6.2724 6.2727 6.9705 6.9710 7.2396 7.2399 13.3420 13.3433 13.4778 13.4795 14.7482 14.7489 14.8654 14.8656 16.0315 16.0359 16.0922 16.0952 k = 0.5000 0.4864 0.1170 ( 4112 PWs) bands (ev): -12.8045 -12.8041 -12.5212 -12.5207 -11.9232 -11.9230 -11.7647 -11.7644 -11.5247 -11.5237 -11.5080 -11.5070 -11.2618 -11.2604 -11.0856 -11.0845 -2.3309 -2.3307 -2.0530 -2.0522 -0.2273 -0.2247 0.1558 0.1588 0.7711 0.7712 1.2327 1.2340 1.4018 1.4033 1.5365 1.5385 2.2165 2.2185 2.4209 2.4211 2.9278 2.9280 3.3009 3.3031 3.8634 3.8655 4.0301 4.0316 4.4000 4.4005 4.6644 4.6644 4.9523 4.9547 4.9812 4.9827 5.7144 5.7151 5.7559 5.7562 6.2474 6.2480 6.2713 6.2716 6.9836 6.9841 7.2342 7.2345 13.3445 13.3459 13.4728 13.4745 14.7362 14.7368 14.8508 14.8509 16.0153 16.0200 16.0756 16.0789 k = 0.5000 0.4856 0.1046 ( 4116 PWs) bands (ev): -12.7967 -12.7963 -12.5350 -12.5345 -11.9173 -11.9170 -11.7723 -11.7720 -11.5200 -11.5190 -11.5048 -11.5038 -11.2554 -11.2540 -11.0906 -11.0895 -2.3347 -2.3345 -2.0815 -2.0807 -0.1927 -0.1898 0.1443 0.1475 0.7714 0.7715 1.2332 1.2344 1.4172 1.4189 1.5593 1.5614 2.2315 2.2337 2.4256 2.4259 2.9218 2.9220 3.2708 3.2733 3.8630 3.8653 4.0166 4.0184 4.4153 4.4160 4.6610 4.6612 4.9425 4.9451 4.9733 4.9749 5.7124 5.7131 5.7534 5.7537 6.2480 6.2486 6.2702 6.2704 6.9970 6.9975 7.2285 7.2288 13.3473 13.3487 13.4675 13.4693 14.7249 14.7255 14.8359 14.8360 15.9998 16.0046 16.0590 16.0625 k = 0.5000 0.4848 0.0923 ( 4120 PWs) bands (ev): -12.7884 -12.7881 -12.5490 -12.5484 -11.9114 -11.9111 -11.7799 -11.7796 -11.5156 -11.5145 -11.5019 -11.5009 -11.2487 -11.2472 -11.0961 -11.0949 -2.3379 -2.3377 -2.1091 -2.1083 -0.1602 -0.1572 0.1329 0.1361 0.7759 0.7762 1.2294 1.2306 1.4346 1.4365 1.5792 1.5813 2.2484 2.2508 2.4313 2.4318 2.9153 2.9157 3.2395 3.2421 3.8635 3.8659 4.0038 4.0058 4.4303 4.4311 4.6567 4.6570 4.9334 4.9362 4.9654 4.9671 5.7108 5.7115 5.7506 5.7509 6.2486 6.2492 6.2689 6.2691 7.0106 7.0111 7.2224 7.2227 13.3504 13.3519 13.4620 13.4638 14.7146 14.7153 14.8208 14.8210 15.9853 15.9901 16.0425 16.0462 k = 0.5000 0.4840 0.0799 ( 4124 PWs) bands (ev): -12.7798 -12.7794 -12.5629 -12.5623 -11.9055 -11.9052 -11.7874 -11.7871 -11.5114 -11.5103 -11.4992 -11.4982 -11.2415 -11.2400 -11.1019 -11.1006 -2.3402 -2.3400 -2.1356 -2.1348 -0.1303 -0.1272 0.1215 0.1249 0.7848 0.7852 1.2215 1.2226 1.4536 1.4556 1.5958 1.5980 2.2670 2.2696 2.4377 2.4385 2.9085 2.9092 3.2071 3.2098 3.8647 3.8673 3.9917 3.9938 4.4451 4.4460 4.6515 4.6518 4.9250 4.9281 4.9575 4.9593 5.7097 5.7103 5.7476 5.7479 6.2491 6.2498 6.2677 6.2677 7.0242 7.0248 7.2159 7.2162 13.3538 13.3553 13.4562 13.4581 14.7056 14.7062 14.8058 14.8060 15.9718 15.9768 16.0263 16.0302 k = 0.5000 0.4832 0.0676 ( 4120 PWs) bands (ev): -12.7707 -12.7703 -12.5769 -12.5763 -11.8995 -11.8993 -11.7948 -11.7945 -11.5075 -11.5063 -11.4968 -11.4957 -11.2341 -11.2325 -11.1080 -11.1067 -2.3416 -2.3413 -2.1607 -2.1600 -0.1033 -0.1000 0.1104 0.1138 0.7981 0.7986 1.2096 1.2107 1.4734 1.4755 1.6092 1.6115 2.2870 2.2898 2.4447 2.4457 2.9020 2.9029 3.1739 3.1768 3.8667 3.8695 3.9801 3.9825 4.4596 4.4605 4.6453 4.6457 4.9177 4.9210 4.9497 4.9516 5.7090 5.7096 5.7444 5.7448 6.2498 6.2504 6.2663 6.2663 7.0379 7.0384 7.2090 7.2093 13.3575 13.3590 13.4502 13.4521 14.6981 14.6986 14.7909 14.7912 15.9598 15.9648 16.0106 16.0147 k = 0.5000 0.4824 0.0553 ( 4122 PWs) bands (ev): -12.7611 -12.7607 -12.5908 -12.5903 -11.8936 -11.8933 -11.8021 -11.8018 -11.5039 -11.5027 -11.4947 -11.4936 -11.2263 -11.2247 -11.1145 -11.1132 -2.3418 -2.3415 -2.1845 -2.1838 -0.0791 -0.0757 0.0995 0.1029 0.8154 0.8160 1.1940 1.1951 1.4935 1.4957 1.6193 1.6216 2.3082 2.3112 2.4517 2.4531 2.8961 2.8973 3.1403 3.1434 3.8695 3.8724 3.9692 3.9717 4.4738 4.4748 4.6382 4.6385 4.9116 4.9150 4.9422 4.9442 5.7087 5.7093 5.7411 5.7415 6.2504 6.2510 6.2649 6.2650 7.0515 7.0519 7.2017 7.2019 13.3615 13.3631 13.4440 13.4459 14.6920 14.6926 14.7765 14.7767 15.9492 15.9543 15.9957 16.0000 k = 0.5000 0.4816 0.0429 ( 4124 PWs) bands (ev): -12.7512 -12.7508 -12.6047 -12.6041 -11.8876 -11.8873 -11.8093 -11.8090 -11.5007 -11.4995 -11.4929 -11.4918 -11.2183 -11.2167 -11.1214 -11.1200 -2.3409 -2.3405 -2.2067 -2.2060 -0.0577 -0.0542 0.0888 0.0923 0.8365 0.8373 1.1751 1.1762 1.5133 1.5156 1.6262 1.6285 2.3300 2.3332 2.4582 2.4600 2.8916 2.8932 3.1066 3.1099 3.8731 3.8761 3.9589 3.9616 4.4878 4.4888 4.6302 4.6305 4.9067 4.9101 4.9349 4.9370 5.7089 5.7095 5.7377 5.7381 6.2510 6.2517 6.2635 6.2637 7.0648 7.0652 7.1940 7.1942 13.3659 13.3675 13.4376 13.4396 14.6877 14.6882 14.7625 14.7627 15.9404 15.9455 15.9818 15.9862 k = 0.5000 0.4808 0.0306 ( 4130 PWs) bands (ev): -12.7409 -12.7404 -12.6184 -12.6178 -11.8815 -11.8813 -11.8164 -11.8161 -11.4978 -11.4966 -11.4915 -11.4904 -11.2101 -11.2084 -11.1285 -11.1271 -2.3386 -2.3382 -2.2273 -2.2266 -0.0389 -0.0353 0.0784 0.0820 0.8609 0.8618 1.1532 1.1543 1.5325 1.5348 1.6300 1.6323 2.3522 2.3556 2.4634 2.4656 2.8892 2.8913 3.0734 3.0768 3.8773 3.8804 3.9491 3.9519 4.5015 4.5025 4.6214 4.6215 4.9030 4.9064 4.9281 4.9303 5.7096 5.7101 5.7343 5.7347 6.2518 6.2524 6.2622 6.2624 7.0779 7.0782 7.1858 7.1859 13.3706 13.3723 13.4312 13.4331 14.6851 14.6855 14.7492 14.7494 15.9334 15.9385 15.9690 15.9735 k = 0.5000 0.4800 0.0182 ( 4132 PWs) bands (ev): -12.7301 -12.7296 -12.6319 -12.6313 -11.8754 -11.8752 -11.8234 -11.8231 -11.4954 -11.4942 -11.4904 -11.4893 -11.2017 -11.2001 -11.1359 -11.1344 -2.3349 -2.3345 -2.2462 -2.2455 -0.0224 -0.0188 0.0683 0.0719 0.8881 0.8890 1.1286 1.1297 1.5507 1.5530 1.6308 1.6332 2.3740 2.3775 2.4665 2.4691 2.8899 2.8923 3.0412 3.0447 3.8822 3.8854 3.9398 3.9427 4.5150 4.5160 4.6118 4.6118 4.9006 4.9040 4.9217 4.9241 5.7106 5.7112 5.7309 5.7313 6.2525 6.2531 6.2609 6.2611 7.0907 7.0910 7.1771 7.1773 13.3757 13.3774 13.4246 13.4266 14.6842 14.6846 14.7367 14.7370 15.9283 15.9334 15.9576 15.9622 k = 0.5000 0.4792 0.0059 ( 4128 PWs) bands (ev): -12.7190 -12.7185 -12.6452 -12.6446 -11.8693 -11.8690 -11.8303 -11.8300 -11.4933 -11.4922 -11.4897 -11.4885 -11.1933 -11.1916 -11.1436 -11.1421 -2.3297 -2.3292 -2.2633 -2.2627 -0.0078 -0.0042 0.0583 0.0619 0.9174 0.9183 1.1017 1.1028 1.5675 1.5698 1.6288 1.6312 2.3949 2.3986 2.4667 2.4698 2.8943 2.8971 3.0105 3.0141 3.8877 3.8909 3.9310 3.9340 4.5283 4.5293 4.6013 4.6015 4.8995 4.9029 4.9160 4.9185 5.7121 5.7126 5.7276 5.7280 6.2533 6.2539 6.2596 6.2599 7.1031 7.1033 7.1680 7.1681 13.3811 13.3828 13.4181 13.4200 14.6852 14.6856 14.7253 14.7255 15.9252 15.9302 15.9476 15.9523 k = 0.5000 0.4784-0.0065 ( 4134 PWs) bands (ev): -12.7075 -12.7070 -12.6582 -12.6577 -11.8630 -11.8628 -11.8370 -11.8368 -11.4917 -11.4905 -11.4893 -11.4881 -11.1848 -11.1832 -11.1516 -11.1500 -2.3229 -2.3224 -2.2787 -2.2782 0.0052 0.0088 0.0483 0.0520 0.9481 0.9491 1.0728 1.0739 1.5828 1.5851 1.6242 1.6266 2.4143 2.4180 2.4635 2.4668 2.9030 2.9062 2.9820 2.9857 3.8938 3.8970 3.9227 3.9258 4.5414 4.5422 4.5902 4.5906 4.8997 4.9029 4.9109 4.9136 5.7139 5.7144 5.7244 5.7248 6.2542 6.2548 6.2584 6.2588 7.1151 7.1153 7.1584 7.1585 13.3867 13.3885 13.4116 13.4135 14.6879 14.6882 14.7150 14.7152 15.9241 15.9291 15.9392 15.9440 k = 0.5000 0.4776-0.0188 ( 4140 PWs) bands (ev): -12.6957 -12.6952 -12.6710 -12.6705 -11.8567 -11.8564 -11.8437 -11.8434 -11.4905 -11.4893 -11.4893 -11.4881 -11.1763 -11.1747 -11.1597 -11.1581 -2.3144 -2.3139 -2.2924 -2.2918 0.0170 0.0207 0.0383 0.0420 0.9796 0.9806 1.0425 1.0436 1.5962 1.5986 1.6172 1.6195 2.4314 2.4351 2.4564 2.4600 2.9164 2.9199 2.9564 2.9601 3.9003 3.9035 3.9148 3.9179 4.5541 4.5549 4.5786 4.5791 4.9010 4.9041 4.9067 4.9095 5.7161 5.7166 5.7214 5.7218 6.2551 6.2557 6.2572 6.2577 7.1266 7.1268 7.1483 7.1484 13.3927 13.3945 13.4051 13.4070 14.6923 14.6926 14.7059 14.7062 15.9249 15.9299 15.9326 15.9374 k = 0.5000 0.4768-0.0312 ( 4136 PWs) bands (ev): -12.6835 -12.6835 -12.6830 -12.6830 -11.8502 -11.8502 -11.8500 -11.8500 -11.4897 -11.4897 -11.4885 -11.4885 -11.1680 -11.1680 -11.1663 -11.1663 -2.3043 -2.3043 -2.3037 -2.3037 0.0279 0.0279 0.0316 0.0316 1.0112 1.0112 1.0123 1.0123 1.6078 1.6078 1.6101 1.6101 2.4456 2.4456 2.4493 2.4493 2.9343 2.9343 2.9379 2.9379 3.9073 3.9073 3.9105 3.9105 4.5666 4.5666 4.5672 4.5672 4.9033 4.9033 4.9063 4.9063 5.7186 5.7186 5.7191 5.7191 6.2562 6.2562 6.2567 6.2567 7.1377 7.1377 7.1378 7.1378 13.3988 13.3988 13.4007 13.4007 14.6983 14.6983 14.6987 14.6987 15.9278 15.9278 15.9327 15.9327 k = 0.5000 0.4768-0.0312 ( 4136 PWs) bands (ev): -12.6835 -12.6835 -12.6830 -12.6830 -11.8502 -11.8502 -11.8500 -11.8500 -11.4897 -11.4897 -11.4885 -11.4885 -11.1680 -11.1680 -11.1663 -11.1663 -2.3043 -2.3043 -2.3037 -2.3037 0.0279 0.0279 0.0316 0.0316 1.0112 1.0112 1.0123 1.0123 1.6078 1.6078 1.6101 1.6101 2.4456 2.4456 2.4493 2.4493 2.9343 2.9343 2.9379 2.9379 3.9073 3.9073 3.9105 3.9105 4.5666 4.5666 4.5672 4.5672 4.9033 4.9033 4.9063 4.9063 5.7186 5.7186 5.7191 5.7191 6.2562 6.2562 6.2567 6.2567 7.1377 7.1377 7.1378 7.1378 13.3988 13.3988 13.4007 13.4007 14.6983 14.6983 14.6987 14.6987 15.9278 15.9278 15.9327 15.9327 k = 0.4875 0.4768-0.0312 ( 4138 PWs) bands (ev): -12.6853 -12.6853 -12.6847 -12.6847 -11.8494 -11.8494 -11.8491 -11.8491 -11.4894 -11.4894 -11.4882 -11.4882 -11.1672 -11.1672 -11.1655 -11.1655 -2.3034 -2.3034 -2.3029 -2.3029 0.0283 0.0283 0.0320 0.0320 1.0111 1.0111 1.0121 1.0121 1.6055 1.6055 1.6079 1.6079 2.4476 2.4476 2.4514 2.4514 2.9337 2.9337 2.9373 2.9373 3.9070 3.9070 3.9103 3.9103 4.5657 4.5657 4.5667 4.5667 4.9030 4.9030 4.9060 4.9060 5.7192 5.7192 5.7198 5.7198 6.2563 6.2563 6.2569 6.2569 7.1363 7.1363 7.1364 7.1364 13.3992 13.3992 13.4011 13.4011 14.6976 14.6976 14.6982 14.6982 15.9281 15.9281 15.9330 15.9330 k = 0.4750 0.4768-0.0312 ( 4132 PWs) bands (ev): -12.6905 -12.6905 -12.6899 -12.6899 -11.8468 -11.8468 -11.8465 -11.8465 -11.4883 -11.4883 -11.4871 -11.4871 -11.1647 -11.1647 -11.1631 -11.1631 -2.3007 -2.3007 -2.3002 -2.3002 0.0296 0.0296 0.0333 0.0333 1.0106 1.0106 1.0116 1.0116 1.5987 1.5987 1.6011 1.6011 2.4537 2.4537 2.4575 2.4575 2.9318 2.9318 2.9355 2.9355 3.9060 3.9060 3.9095 3.9095 4.5635 4.5635 4.5650 4.5650 4.9021 4.9021 4.9051 4.9051 5.7210 5.7210 5.7218 5.7218 6.2568 6.2568 6.2575 6.2575 7.1319 7.1319 7.1322 7.1322 13.4003 13.4003 13.4023 13.4023 14.6956 14.6956 14.6966 14.6966 15.9289 15.9289 15.9339 15.9339 k = 0.4625 0.4768-0.0312 ( 4136 PWs) bands (ev): -12.6990 -12.6990 -12.6984 -12.6984 -11.8427 -11.8427 -11.8424 -11.8424 -11.4867 -11.4867 -11.4855 -11.4855 -11.1607 -11.1607 -11.1590 -11.1590 -2.2964 -2.2964 -2.2957 -2.2957 0.0316 0.0316 0.0353 0.0353 1.0097 1.0097 1.0107 1.0107 1.5878 1.5878 1.5902 1.5902 2.4636 2.4636 2.4675 2.4675 2.9286 2.9286 2.9326 2.9326 3.9043 3.9043 3.9082 3.9082 4.5599 4.5599 4.5620 4.5620 4.9006 4.9006 4.9037 4.9037 5.7239 5.7239 5.7250 5.7250 6.2577 6.2577 6.2586 6.2586 7.1248 7.1248 7.1252 7.1252 13.4022 13.4022 13.4044 13.4044 14.6924 14.6924 14.6938 14.6938 15.9304 15.9304 15.9354 15.9354 k = 0.4500 0.4768-0.0312 ( 4132 PWs) bands (ev): -12.7105 -12.7105 -12.7100 -12.7099 -11.8374 -11.8374 -11.8370 -11.8370 -11.4844 -11.4844 -11.4831 -11.4831 -11.1549 -11.1549 -11.1533 -11.1533 -2.2902 -2.2902 -2.2895 -2.2895 0.0344 0.0344 0.0382 0.0382 1.0083 1.0083 1.0094 1.0094 1.5731 1.5731 1.5756 1.5756 2.4767 2.4767 2.4808 2.4808 2.9244 2.9244 2.9286 2.9286 3.9019 3.9019 3.9062 3.9062 4.5550 4.5550 4.5578 4.5578 4.8986 4.8986 4.9018 4.9018 5.7277 5.7277 5.7291 5.7291 6.2591 6.2591 6.2602 6.2602 7.1150 7.1150 7.1155 7.1155 13.4048 13.4048 13.4072 13.4072 14.6879 14.6879 14.6898 14.6898 15.9327 15.9327 15.9376 15.9376 k = 0.4375 0.4768-0.0312 ( 4130 PWs) bands (ev): -12.7249 -12.7249 -12.7243 -12.7243 -11.8311 -11.8311 -11.8307 -11.8307 -11.4815 -11.4815 -11.4802 -11.4802 -11.1474 -11.1474 -11.1457 -11.1457 -2.2824 -2.2824 -2.2816 -2.2816 0.0380 0.0380 0.0417 0.0417 1.0064 1.0064 1.0075 1.0075 1.5554 1.5554 1.5579 1.5579 2.4927 2.4927 2.4968 2.4968 2.9193 2.9193 2.9238 2.9238 3.8988 3.8988 3.9036 3.9036 4.5490 4.5490 4.5525 4.5525 4.8962 4.8962 4.8995 4.8995 5.7321 5.7322 5.7338 5.7338 6.2609 6.2609 6.2622 6.2622 7.1026 7.1027 7.1033 7.1033 13.4080 13.4080 13.4106 13.4106 14.6822 14.6822 14.6846 14.6846 15.9357 15.9357 15.9407 15.9407 k = 0.4250 0.4768-0.0312 ( 4134 PWs) bands (ev): -12.7417 -12.7417 -12.7410 -12.7410 -11.8242 -11.8242 -11.8237 -11.8237 -11.4781 -11.4781 -11.4768 -11.4768 -11.1380 -11.1380 -11.1363 -11.1363 -2.2728 -2.2728 -2.2719 -2.2719 0.0421 0.0421 0.0459 0.0459 1.0039 1.0039 1.0049 1.0049 1.5353 1.5353 1.5378 1.5378 2.5107 2.5107 2.5152 2.5152 2.9134 2.9134 2.9183 2.9183 3.8950 3.8950 3.9002 3.9002 4.5419 4.5419 4.5460 4.5460 4.8935 4.8935 4.8969 4.8969 5.7370 5.7370 5.7389 5.7389 6.2632 6.2632 6.2648 6.2648 7.0880 7.0880 7.0888 7.0888 13.4116 13.4116 13.4145 13.4145 14.6754 14.6754 14.6782 14.6782 15.9398 15.9398 15.9447 15.9447 k = 0.4125 0.4768-0.0312 ( 4132 PWs) bands (ev): -12.7605 -12.7605 -12.7599 -12.7599 -11.8170 -11.8170 -11.8165 -11.8165 -11.4743 -11.4743 -11.4730 -11.4730 -11.1267 -11.1267 -11.1250 -11.1250 -2.2615 -2.2615 -2.2606 -2.2606 0.0468 0.0468 0.0506 0.0506 1.0004 1.0004 1.0015 1.0015 1.5134 1.5134 1.5160 1.5160 2.5303 2.5303 2.5350 2.5350 2.9071 2.9071 2.9125 2.9125 3.8904 3.8904 3.8961 3.8961 4.5338 4.5338 4.5385 4.5385 4.8906 4.8906 4.8942 4.8942 5.7418 5.7418 5.7440 5.7440 6.2661 6.2661 6.2681 6.2681 7.0712 7.0712 7.0722 7.0722 13.4156 13.4156 13.4188 13.4188 14.6673 14.6674 14.6707 14.6707 15.9450 15.9450 15.9499 15.9499 k = 0.4000 0.4768-0.0312 ( 4138 PWs) bands (ev): -12.7812 -12.7812 -12.7806 -12.7806 -11.8098 -11.8098 -11.8093 -11.8093 -11.4702 -11.4702 -11.4689 -11.4689 -11.1134 -11.1134 -11.1118 -11.1118 -2.2486 -2.2486 -2.2475 -2.2475 0.0519 0.0519 0.0557 0.0557 0.9959 0.9959 0.9969 0.9969 1.4906 1.4907 1.4933 1.4933 2.5507 2.5507 2.5558 2.5558 2.9007 2.9007 2.9067 2.9067 3.8850 3.8850 3.8911 3.8911 4.5248 4.5248 4.5301 4.5301 4.8877 4.8877 4.8913 4.8913 5.7463 5.7463 5.7487 5.7487 6.2697 6.2697 6.2719 6.2719 7.0526 7.0526 7.0537 7.0537 13.4198 13.4198 13.4233 13.4233 14.6582 14.6582 14.6621 14.6621 15.9514 15.9514 15.9563 15.9563 k = 0.3875 0.4768-0.0312 ( 4132 PWs) bands (ev): -12.8033 -12.8033 -12.8026 -12.8026 -11.8029 -11.8029 -11.8024 -11.8024 -11.4659 -11.4659 -11.4646 -11.4646 -11.0982 -11.0982 -11.0965 -11.0965 -2.2341 -2.2341 -2.2329 -2.2329 0.0572 0.0572 0.0610 0.0611 0.9899 0.9899 0.9911 0.9911 1.4677 1.4677 1.4704 1.4704 2.5711 2.5711 2.5768 2.5768 2.8946 2.8946 2.9014 2.9014 3.8787 3.8787 3.8852 3.8852 4.5150 4.5150 4.5208 4.5208 4.8848 4.8848 4.8885 4.8885 5.7501 5.7501 5.7527 5.7527 6.2738 6.2738 6.2764 6.2764 7.0325 7.0325 7.0338 7.0338 13.4240 13.4240 13.4278 13.4278 14.6481 14.6481 14.6524 14.6524 15.9592 15.9592 15.9640 15.9640 k = 0.3750 0.4768-0.0312 ( 4126 PWs) bands (ev): -12.8265 -12.8265 -12.8258 -12.8258 -11.7965 -11.7965 -11.7959 -11.7959 -11.4616 -11.4616 -11.4602 -11.4602 -11.0809 -11.0809 -11.0793 -11.0793 -2.2180 -2.2180 -2.2167 -2.2167 0.0627 0.0627 0.0666 0.0666 0.9823 0.9823 0.9835 0.9835 1.4455 1.4455 1.4482 1.4482 2.5909 2.5909 2.5972 2.5972 2.8893 2.8893 2.8970 2.8970 3.8717 3.8717 3.8786 3.8786 4.5044 4.5044 4.5107 4.5107 4.8819 4.8819 4.8857 4.8857 5.7529 5.7529 5.7557 5.7557 6.2785 6.2785 6.2815 6.2815 7.0113 7.0113 7.0128 7.0128 13.4281 13.4281 13.4322 13.4322 14.6371 14.6371 14.6420 14.6420 15.9684 15.9684 15.9732 15.9732 k = 0.3625 0.4768-0.0312 ( 4128 PWs) bands (ev): -12.8505 -12.8505 -12.8499 -12.8499 -11.7907 -11.7907 -11.7902 -11.7902 -11.4572 -11.4572 -11.4559 -11.4559 -11.0617 -11.0617 -11.0601 -11.0601 -2.2003 -2.2003 -2.1989 -2.1989 0.0681 0.0681 0.0720 0.0720 0.9726 0.9726 0.9739 0.9739 1.4247 1.4247 1.4274 1.4274 2.6093 2.6093 2.6163 2.6163 2.8856 2.8856 2.8942 2.8942 3.8638 3.8638 3.8710 3.8710 4.4931 4.4931 4.4998 4.4998 4.8791 4.8791 4.8830 4.8830 5.7544 5.7544 5.7574 5.7574 6.2838 6.2838 6.2870 6.2870 6.9893 6.9893 6.9910 6.9910 13.4318 13.4318 13.4362 13.4362 14.6255 14.6255 14.6308 14.6308 15.9791 15.9791 15.9838 15.9838 k = 0.3500 0.4768-0.0312 ( 4132 PWs) bands (ev): -12.8752 -12.8752 -12.8745 -12.8745 -11.7857 -11.7857 -11.7851 -11.7851 -11.4531 -11.4531 -11.4517 -11.4517 -11.0406 -11.0406 -11.0391 -11.0391 -2.1812 -2.1812 -2.1797 -2.1797 0.0733 0.0733 0.0772 0.0772 0.9605 0.9605 0.9620 0.9620 1.4060 1.4060 1.4087 1.4087 2.6254 2.6254 2.6331 2.6331 2.8840 2.8840 2.8937 2.8937 3.8552 3.8552 3.8627 3.8627 4.4810 4.4810 4.4882 4.4882 4.8764 4.8764 4.8804 4.8804 5.7544 5.7544 5.7576 5.7576 6.2894 6.2894 6.2930 6.2930 6.9671 6.9671 6.9690 6.9690 13.4350 13.4350 13.4396 13.4396 14.6133 14.6133 14.6190 14.6190 15.9913 15.9913 15.9958 15.9958 k = 0.3375 0.4768-0.0312 ( 4124 PWs) bands (ev): -12.9002 -12.9002 -12.8996 -12.8996 -11.7814 -11.7814 -11.7808 -11.7808 -11.4491 -11.4491 -11.4477 -11.4477 -11.0178 -11.0178 -11.0163 -11.0163 -2.1606 -2.1606 -2.1590 -2.1590 0.0780 0.0780 0.0819 0.0819 0.9458 0.9458 0.9475 0.9475 1.3902 1.3902 1.3929 1.3929 2.6385 2.6385 2.6470 2.6470 2.8853 2.8853 2.8960 2.8960 3.8460 3.8460 3.8537 3.8537 4.4682 4.4682 4.4758 4.4758 4.8739 4.8739 4.8779 4.8779 5.7528 5.7528 5.7560 5.7560 6.2951 6.2951 6.2990 6.2990 6.9452 6.9452 6.9473 6.9473 13.4373 13.4373 13.4423 13.4423 14.6009 14.6009 14.6071 14.6071 16.0049 16.0049 16.0093 16.0093 k = 0.3250 0.4768-0.0312 ( 4124 PWs) bands (ev): -12.9254 -12.9254 -12.9248 -12.9248 -11.7778 -11.7778 -11.7772 -11.7772 -11.4454 -11.4454 -11.4441 -11.4441 -10.9935 -10.9935 -10.9920 -10.9920 -2.1386 -2.1386 -2.1370 -2.1370 0.0820 0.0820 0.0859 0.0859 0.9284 0.9284 0.9303 0.9303 1.3777 1.3777 1.3804 1.3804 2.6481 2.6481 2.6572 2.6572 2.8901 2.8901 2.9017 2.9017 3.8362 3.8362 3.8441 3.8441 4.4548 4.4548 4.4626 4.4626 4.8715 4.8715 4.8755 4.8755 5.7493 5.7493 5.7526 5.7526 6.3008 6.3008 6.3050 6.3050 6.9240 6.9240 6.9263 6.9263 13.4386 13.4386 13.4438 13.4438 14.5885 14.5885 14.5951 14.5951 16.0198 16.0198 16.0240 16.0240 k = 0.3125 0.4768-0.0312 ( 4132 PWs) bands (ev): -12.9506 -12.9506 -12.9500 -12.9500 -11.7750 -11.7750 -11.7744 -11.7744 -11.4421 -11.4421 -11.4407 -11.4407 -10.9678 -10.9678 -10.9663 -10.9663 -2.1153 -2.1153 -2.1136 -2.1136 0.0850 0.0850 0.0890 0.0890 0.9083 0.9083 0.9105 0.9105 1.3688 1.3688 1.3715 1.3715 2.6541 2.6541 2.6635 2.6635 2.8986 2.8986 2.9107 2.9107 3.8259 3.8259 3.8341 3.8341 4.4405 4.4405 4.4487 4.4487 4.8691 4.8691 4.8731 4.8732 5.7440 5.7440 5.7473 5.7473 6.3060 6.3060 6.3104 6.3104 6.9041 6.9041 6.9067 6.9067 13.4387 13.4387 13.4442 13.4442 14.5764 14.5764 14.5833 14.5833 16.0360 16.0360 16.0400 16.0400 k = 0.3000 0.4768-0.0312 ( 4130 PWs) bands (ev): -12.9756 -12.9756 -12.9750 -12.9750 -11.7728 -11.7728 -11.7722 -11.7722 -11.4390 -11.4390 -11.4377 -11.4377 -10.9410 -10.9410 -10.9396 -10.9396 -2.0908 -2.0908 -2.0890 -2.0890 0.0868 0.0869 0.0908 0.0908 0.8859 0.8859 0.8884 0.8884 1.3637 1.3637 1.3663 1.3663 2.6567 2.6567 2.6662 2.6662 2.9104 2.9104 2.9228 2.9228 3.8154 3.8154 3.8237 3.8237 4.4255 4.4255 4.4338 4.4338 4.8668 4.8668 4.8708 4.8708 5.7369 5.7369 5.7402 5.7402 6.3104 6.3104 6.3150 6.3150 6.8861 6.8861 6.8889 6.8889 13.4374 13.4374 13.4431 13.4431 14.5648 14.5648 14.5721 14.5721 16.0532 16.0532 16.0571 16.0571 k = 0.2875 0.4768-0.0312 ( 4128 PWs) bands (ev): -13.0004 -13.0004 -12.9998 -12.9998 -11.7713 -11.7713 -11.7707 -11.7707 -11.4364 -11.4364 -11.4351 -11.4351 -10.9132 -10.9132 -10.9119 -10.9119 -2.0651 -2.0651 -2.0633 -2.0633 0.0871 0.0871 0.0911 0.0911 0.8616 0.8616 0.8644 0.8644 1.3621 1.3621 1.3647 1.3647 2.6566 2.6566 2.6660 2.6660 2.9250 2.9250 2.9374 2.9374 3.8047 3.8047 3.8131 3.8131 4.4096 4.4096 4.4181 4.4181 4.8644 4.8644 4.8684 4.8684 5.7281 5.7281 5.7313 5.7313 6.3137 6.3137 6.3184 6.3184 6.8706 6.8706 6.8735 6.8735 13.4346 13.4346 13.4404 13.4404 14.5541 14.5541 14.5616 14.5616 16.0713 16.0713 16.0750 16.0750 k = 0.2750 0.4768-0.0312 ( 4126 PWs) bands (ev): -13.0247 -13.0247 -13.0241 -13.0241 -11.7703 -11.7703 -11.7697 -11.7697 -11.4341 -11.4341 -11.4328 -11.4328 -10.8848 -10.8848 -10.8835 -10.8835 -2.0383 -2.0383 -2.0364 -2.0364 0.0856 0.0856 0.0895 0.0895 0.8360 0.8360 0.8390 0.8390 1.3640 1.3640 1.3665 1.3665 2.6544 2.6544 2.6635 2.6635 2.9415 2.9415 2.9538 2.9538 3.7940 3.7940 3.8025 3.8025 4.3929 4.3929 4.4015 4.4015 4.8618 4.8618 4.8657 4.8657 5.7176 5.7176 5.7207 5.7208 6.3155 6.3155 6.3203 6.3203 6.8579 6.8579 6.8609 6.8609 13.4301 13.4301 13.4360 13.4360 14.5443 14.5443 14.5521 14.5521 16.0901 16.0901 16.0937 16.0937 k = 0.2625 0.4768-0.0312 ( 4134 PWs) bands (ev): -13.0485 -13.0485 -13.0479 -13.0479 -11.7698 -11.7698 -11.7692 -11.7692 -11.4321 -11.4321 -11.4309 -11.4309 -10.8560 -10.8560 -10.8548 -10.8548 -2.0105 -2.0105 -2.0085 -2.0085 0.0819 0.0819 0.0858 0.0858 0.8097 0.8097 0.8129 0.8129 1.3690 1.3690 1.3714 1.3714 2.6507 2.6507 2.6595 2.6595 2.9591 2.9591 2.9713 2.9713 3.7835 3.7835 3.7920 3.7920 4.3753 4.3753 4.3839 4.3839 4.8589 4.8589 4.8628 4.8628 5.7056 5.7056 5.7087 5.7087 6.3157 6.3157 6.3204 6.3204 6.8483 6.8483 6.8514 6.8514 13.4238 13.4238 13.4298 13.4298 14.5358 14.5358 14.5437 14.5437 16.1094 16.1094 16.1128 16.1129 k = 0.2500 0.4768-0.0312 ( 4144 PWs) bands (ev): -13.0717 -13.0717 -13.0711 -13.0711 -11.7697 -11.7697 -11.7692 -11.7691 -11.4304 -11.4304 -11.4292 -11.4292 -10.8270 -10.8270 -10.8258 -10.8258 -1.9818 -1.9818 -1.9798 -1.9798 0.0758 0.0758 0.0796 0.0796 0.7834 0.7834 0.7868 0.7868 1.3767 1.3767 1.3792 1.3792 2.6463 2.6463 2.6547 2.6547 2.9774 2.9774 2.9893 2.9893 3.7733 3.7733 3.7818 3.7818 4.3568 4.3568 4.3654 4.3654 4.8556 4.8556 4.8594 4.8594 5.6924 5.6924 5.6954 5.6954 6.3140 6.3140 6.3187 6.3187 6.8422 6.8422 6.8453 6.8453 13.4158 13.4158 13.4218 13.4218 14.5285 14.5285 14.5366 14.5366 16.1289 16.1289 16.1323 16.1323 k = 0.2375 0.4768-0.0312 ( 4142 PWs) bands (ev): -13.0941 -13.0941 -13.0936 -13.0936 -11.7699 -11.7699 -11.7694 -11.7694 -11.4289 -11.4289 -11.4278 -11.4278 -10.7980 -10.7980 -10.7968 -10.7968 -1.9523 -1.9523 -1.9502 -1.9502 0.0671 0.0671 0.0708 0.0708 0.7577 0.7577 0.7613 0.7613 1.3869 1.3869 1.3893 1.3893 2.6414 2.6414 2.6495 2.6495 2.9956 2.9956 3.0073 3.0073 3.7635 3.7635 3.7720 3.7720 4.3374 4.3374 4.3459 4.3459 4.8517 4.8517 4.8555 4.8555 5.6781 5.6781 5.6810 5.6810 6.3106 6.3106 6.3151 6.3151 6.8394 6.8394 6.8425 6.8425 13.4060 13.4060 13.4121 13.4121 14.5227 14.5227 14.5308 14.5308 16.1485 16.1485 16.1520 16.1520 k = 0.2250 0.4768-0.0312 ( 4140 PWs) bands (ev): -13.1158 -13.1158 -13.1152 -13.1152 -11.7705 -11.7705 -11.7700 -11.7700 -11.4278 -11.4278 -11.4267 -11.4267 -10.7692 -10.7692 -10.7681 -10.7681 -1.9221 -1.9221 -1.9199 -1.9199 0.0554 0.0555 0.0591 0.0591 0.7331 0.7331 0.7368 0.7368 1.3992 1.3992 1.4016 1.4016 2.6366 2.6366 2.6444 2.6444 3.0135 3.0136 3.0250 3.0250 3.7544 3.7544 3.7628 3.7628 4.3172 4.3172 4.3256 4.3256 4.8472 4.8472 4.8509 4.8509 5.6631 5.6631 5.6659 5.6659 6.3055 6.3055 6.3098 6.3098 6.8398 6.8398 6.8428 6.8428 13.3947 13.3947 13.4007 13.4007 14.5183 14.5183 14.5264 14.5264 16.1681 16.1681 16.1715 16.1715 k = 0.2125 0.4768-0.0312 ( 4134 PWs) bands (ev): -13.1366 -13.1366 -13.1361 -13.1361 -11.7713 -11.7713 -11.7708 -11.7708 -11.4268 -11.4268 -11.4258 -11.4258 -10.7408 -10.7408 -10.7398 -10.7398 -1.8912 -1.8912 -1.8891 -1.8891 0.0409 0.0409 0.0444 0.0444 0.7102 0.7102 0.7140 0.7140 1.4132 1.4132 1.4156 1.4156 2.6321 2.6321 2.6396 2.6396 3.0308 3.0308 3.0419 3.0419 3.7459 3.7459 3.7542 3.7543 4.2963 4.2963 4.3045 4.3045 4.8419 4.8419 4.8455 4.8455 5.6477 5.6477 5.6503 5.6503 6.2990 6.2990 6.3032 6.3032 6.8431 6.8431 6.8461 6.8461 13.3819 13.3819 13.3877 13.3878 14.5153 14.5153 14.5233 14.5233 16.1873 16.1873 16.1909 16.1909 k = 0.2000 0.4768-0.0312 ( 4138 PWs) bands (ev): -13.1565 -13.1565 -13.1560 -13.1560 -11.7724 -11.7724 -11.7719 -11.7719 -11.4261 -11.4261 -11.4251 -11.4251 -10.7131 -10.7131 -10.7121 -10.7121 -1.8600 -1.8600 -1.8578 -1.8578 0.0233 0.0233 0.0267 0.0267 0.6892 0.6892 0.6931 0.6931 1.4287 1.4287 1.4310 1.4310 2.6282 2.6282 2.6354 2.6354 3.0471 3.0471 3.0580 3.0580 3.7382 3.7382 3.7464 3.7464 4.2748 4.2748 4.2828 4.2828 4.8356 4.8356 4.8392 4.8392 5.6320 5.6320 5.6347 5.6347 6.2915 6.2915 6.2954 6.2954 6.8489 6.8489 6.8517 6.8517 13.3678 13.3678 13.3735 13.3735 14.5136 14.5136 14.5215 14.5215 16.2061 16.2061 16.2098 16.2098 k = 0.1875 0.4768-0.0312 ( 4140 PWs) bands (ev): -13.1754 -13.1754 -13.1749 -13.1749 -11.7735 -11.7735 -11.7730 -11.7730 -11.4255 -11.4255 -11.4246 -11.4246 -10.6862 -10.6862 -10.6852 -10.6852 -1.8284 -1.8284 -1.8262 -1.8262 0.0028 0.0028 0.0062 0.0062 0.6704 0.6704 0.6743 0.6743 1.4453 1.4453 1.4476 1.4476 2.6249 2.6249 2.6319 2.6319 3.0624 3.0624 3.0729 3.0729 3.7314 3.7314 3.7394 3.7394 4.2528 4.2528 4.2605 4.2605 4.8284 4.8284 4.8320 4.8320 5.6166 5.6166 5.6191 5.6191 6.2833 6.2833 6.2869 6.2869 6.8568 6.8568 6.8595 6.8595 13.3527 13.3527 13.3582 13.3582 14.5130 14.5130 14.5209 14.5209 16.2242 16.2243 16.2281 16.2281 k = 0.1750 0.4768-0.0312 ( 4138 PWs) bands (ev): -13.1933 -13.1933 -13.1928 -13.1928 -11.7748 -11.7748 -11.7743 -11.7743 -11.4250 -11.4250 -11.4242 -11.4242 -10.6602 -10.6602 -10.6593 -10.6593 -1.7967 -1.7967 -1.7945 -1.7945 -0.0202 -0.0202 -0.0170 -0.0170 0.6538 0.6538 0.6578 0.6578 1.4627 1.4627 1.4650 1.4650 2.6225 2.6225 2.6292 2.6292 3.0766 3.0766 3.0867 3.0867 3.7253 3.7253 3.7331 3.7331 4.2306 4.2306 4.2380 4.2380 4.8201 4.8201 4.8237 4.8237 5.6015 5.6015 5.6041 5.6041 6.2746 6.2746 6.2780 6.2780 6.8662 6.8662 6.8687 6.8687 13.3368 13.3368 13.3422 13.3422 14.5136 14.5136 14.5212 14.5212 16.2417 16.2417 16.2458 16.2458 k = 0.1625 0.4768-0.0312 ( 4142 PWs) bands (ev): -13.2101 -13.2101 -13.2096 -13.2096 -11.7761 -11.7761 -11.7756 -11.7756 -11.4247 -11.4247 -11.4239 -11.4239 -10.6353 -10.6353 -10.6345 -10.6345 -1.7650 -1.7650 -1.7628 -1.7628 -0.0456 -0.0456 -0.0425 -0.0424 0.6394 0.6394 0.6434 0.6434 1.4806 1.4806 1.4828 1.4828 2.6209 2.6209 2.6274 2.6274 3.0894 3.0894 3.0992 3.0992 3.7201 3.7201 3.7277 3.7277 4.2084 4.2084 4.2153 4.2153 4.8109 4.8109 4.8144 4.8144 5.5872 5.5872 5.5897 5.5897 6.2658 6.2658 6.2690 6.2690 6.8768 6.8768 6.8792 6.8792 13.3203 13.3204 13.3255 13.3255 14.5149 14.5149 14.5224 14.5224 16.2584 16.2584 16.2627 16.2627 k = 0.1500 0.4768-0.0312 ( 4138 PWs) bands (ev): -13.2258 -13.2258 -13.2254 -13.2254 -11.7775 -11.7775 -11.7770 -11.7770 -11.4245 -11.4245 -11.4238 -11.4238 -10.6117 -10.6117 -10.6110 -10.6110 -1.7336 -1.7336 -1.7314 -1.7314 -0.0727 -0.0727 -0.0697 -0.0697 0.6271 0.6271 0.6311 0.6311 1.4986 1.4987 1.5008 1.5009 2.6202 2.6202 2.6265 2.6265 3.1011 3.1011 3.1104 3.1104 3.7156 3.7157 3.7229 3.7229 4.1863 4.1863 4.1929 4.1929 4.8007 4.8007 4.8041 4.8042 5.5738 5.5738 5.5763 5.5763 6.2572 6.2572 6.2601 6.2601 6.8881 6.8881 6.8903 6.8903 13.3037 13.3037 13.3087 13.3087 14.5170 14.5170 14.5242 14.5242 16.2742 16.2742 16.2786 16.2786 k = 0.1375 0.4768-0.0312 ( 4138 PWs) bands (ev): -13.2404 -13.2404 -13.2400 -13.2400 -11.7788 -11.7788 -11.7784 -11.7784 -11.4244 -11.4244 -11.4237 -11.4237 -10.5895 -10.5895 -10.5888 -10.5888 -1.7026 -1.7026 -1.7005 -1.7005 -0.1011 -0.1011 -0.0981 -0.0981 0.6167 0.6167 0.6207 0.6207 1.5166 1.5166 1.5187 1.5188 2.6203 2.6203 2.6265 2.6265 3.1114 3.1114 3.1203 3.1203 3.7118 3.7118 3.7188 3.7188 4.1648 4.1648 4.1709 4.1709 4.7898 4.7898 4.7931 4.7931 5.5614 5.5614 5.5640 5.5640 6.2489 6.2489 6.2515 6.2515 6.8997 6.8997 6.9018 6.9018 13.2872 13.2872 13.2920 13.2920 14.5196 14.5196 14.5266 14.5266 16.2889 16.2889 16.2936 16.2936 k = 0.1250 0.4768-0.0312 ( 4140 PWs) bands (ev): -13.2538 -13.2538 -13.2534 -13.2534 -11.7802 -11.7802 -11.7797 -11.7797 -11.4243 -11.4243 -11.4237 -11.4237 -10.5688 -10.5688 -10.5682 -10.5682 -1.6724 -1.6724 -1.6704 -1.6704 -0.1302 -0.1302 -0.1273 -0.1273 0.6081 0.6081 0.6120 0.6121 1.5341 1.5342 1.5362 1.5362 2.6213 2.6213 2.6273 2.6273 3.1206 3.1206 3.1289 3.1289 3.7086 3.7086 3.7153 3.7153 4.1441 4.1441 4.1498 4.1498 4.7783 4.7783 4.7815 4.7815 5.5503 5.5503 5.5528 5.5528 6.2410 6.2410 6.2434 6.2434 6.9114 6.9114 6.9133 6.9133 13.2710 13.2710 13.2756 13.2756 14.5225 14.5225 14.5293 14.5293 16.3027 16.3027 16.3075 16.3075 k = 0.1125 0.4768-0.0312 ( 4140 PWs) bands (ev): -13.2660 -13.2660 -13.2656 -13.2656 -11.7814 -11.7814 -11.7810 -11.7810 -11.4243 -11.4243 -11.4237 -11.4237 -10.5497 -10.5497 -10.5492 -10.5492 -1.6433 -1.6433 -1.6414 -1.6414 -0.1594 -0.1594 -0.1564 -0.1564 0.6009 0.6009 0.6049 0.6049 1.5510 1.5510 1.5530 1.5530 2.6230 2.6230 2.6288 2.6288 3.1285 3.1285 3.1364 3.1364 3.7057 3.7057 3.7121 3.7121 4.1245 4.1245 4.1297 4.1297 4.7664 4.7664 4.7695 4.7695 5.5405 5.5405 5.5429 5.5429 6.2337 6.2337 6.2359 6.2359 6.9227 6.9227 6.9245 6.9245 13.2555 13.2555 13.2599 13.2599 14.5256 14.5256 14.5322 14.5322 16.3153 16.3153 16.3203 16.3203 k = 0.1000 0.4768-0.0312 ( 4142 PWs) bands (ev): -13.2770 -13.2770 -13.2766 -13.2766 -11.7826 -11.7826 -11.7822 -11.7822 -11.4243 -11.4243 -11.4238 -11.4238 -10.5324 -10.5324 -10.5319 -10.5319 -1.6155 -1.6155 -1.6137 -1.6137 -0.1880 -0.1879 -0.1850 -0.1850 0.5950 0.5950 0.5990 0.5990 1.5669 1.5669 1.5688 1.5688 2.6252 2.6252 2.6310 2.6310 3.1354 3.1354 3.1427 3.1427 3.7032 3.7032 3.7091 3.7091 4.1063 4.1063 4.1112 4.1112 4.7545 4.7545 4.7574 4.7574 5.5319 5.5319 5.5343 5.5343 6.2271 6.2271 6.2291 6.2291 6.9336 6.9336 6.9352 6.9352 13.2409 13.2409 13.2451 13.2451 14.5288 14.5288 14.5351 14.5351 16.3268 16.3268 16.3319 16.3319 k = 0.0875 0.4768-0.0312 ( 4138 PWs) bands (ev): -13.2867 -13.2867 -13.2863 -13.2863 -11.7837 -11.7837 -11.7833 -11.7833 -11.4243 -11.4243 -11.4239 -11.4239 -10.5169 -10.5169 -10.5164 -10.5164 -1.5896 -1.5896 -1.5879 -1.5879 -0.2153 -0.2153 -0.2124 -0.2124 0.5902 0.5902 0.5942 0.5942 1.5816 1.5816 1.5834 1.5834 2.6279 2.6279 2.6335 2.6335 3.1413 3.1413 3.1480 3.1480 3.7008 3.7008 3.7064 3.7064 4.0899 4.0899 4.0943 4.0943 4.7429 4.7429 4.7456 4.7456 5.5246 5.5246 5.5269 5.5269 6.2212 6.2212 6.2230 6.2230 6.9436 6.9436 6.9452 6.9452 13.2274 13.2274 13.2314 13.2314 14.5318 14.5318 14.5379 14.5379 16.3370 16.3370 16.3422 16.3422 k = 0.0750 0.4768-0.0312 ( 4134 PWs) bands (ev): -13.2952 -13.2952 -13.2948 -13.2948 -11.7847 -11.7847 -11.7843 -11.7843 -11.4244 -11.4244 -11.4240 -11.4240 -10.5032 -10.5032 -10.5028 -10.5028 -1.5657 -1.5657 -1.5642 -1.5642 -0.2407 -0.2407 -0.2378 -0.2378 0.5864 0.5864 0.5904 0.5904 1.5948 1.5948 1.5964 1.5965 2.6309 2.6309 2.6363 2.6363 3.1463 3.1463 3.1524 3.1524 3.6985 3.6985 3.7037 3.7037 4.0754 4.0754 4.0795 4.0795 4.7320 4.7320 4.7344 4.7344 5.5185 5.5185 5.5208 5.5208 6.2161 6.2161 6.2176 6.2176 6.9527 6.9527 6.9541 6.9541 13.2153 13.2153 13.2191 13.2191 14.5347 14.5347 14.5406 14.5406 16.3461 16.3461 16.3514 16.3514 k = 0.0625 0.4768-0.0312 ( 4134 PWs) bands (ev): -13.3024 -13.3024 -13.3020 -13.3020 -11.7856 -11.7856 -11.7852 -11.7852 -11.4244 -11.4244 -11.4241 -11.4241 -10.4916 -10.4916 -10.4913 -10.4913 -1.5445 -1.5445 -1.5432 -1.5432 -0.2637 -0.2637 -0.2607 -0.2607 0.5834 0.5834 0.5874 0.5874 1.6064 1.6064 1.6079 1.6079 2.6338 2.6338 2.6392 2.6392 3.1504 3.1504 3.1559 3.1559 3.6963 3.6963 3.7012 3.7012 4.0630 4.0630 4.0669 4.0669 4.7221 4.7221 4.7241 4.7241 5.5135 5.5135 5.5157 5.5157 6.2117 6.2117 6.2130 6.2130 6.9606 6.9606 6.9620 6.9620 13.2047 13.2047 13.2084 13.2084 14.5373 14.5373 14.5430 14.5430 16.3538 16.3538 16.3591 16.3591 k = 0.0500 0.4768-0.0312 ( 4132 PWs) bands (ev): -13.3083 -13.3083 -13.3079 -13.3079 -11.7863 -11.7863 -11.7859 -11.7859 -11.4245 -11.4245 -11.4242 -11.4242 -10.4819 -10.4819 -10.4817 -10.4817 -1.5263 -1.5263 -1.5252 -1.5252 -0.2835 -0.2834 -0.2805 -0.2805 0.5811 0.5811 0.5850 0.5850 1.6161 1.6161 1.6175 1.6175 2.6366 2.6366 2.6418 2.6418 3.1537 3.1537 3.1586 3.1586 3.6943 3.6943 3.6988 3.6988 4.0529 4.0529 4.0565 4.0565 4.7134 4.7134 4.7152 4.7152 5.5096 5.5096 5.5117 5.5117 6.2082 6.2082 6.2092 6.2092 6.9673 6.9673 6.9686 6.9686 13.1958 13.1958 13.1994 13.1994 14.5395 14.5395 14.5451 14.5451 16.3601 16.3601 16.3656 16.3656 k = 0.0375 0.4768-0.0312 ( 4140 PWs) bands (ev): -13.3129 -13.3129 -13.3126 -13.3126 -11.7869 -11.7869 -11.7865 -11.7865 -11.4245 -11.4245 -11.4243 -11.4243 -10.4744 -10.4744 -10.4742 -10.4742 -1.5116 -1.5116 -1.5107 -1.5107 -0.2995 -0.2995 -0.2966 -0.2966 0.5794 0.5794 0.5833 0.5833 1.6238 1.6238 1.6250 1.6250 2.6390 2.6390 2.6442 2.6442 3.1563 3.1563 3.1607 3.1607 3.6925 3.6925 3.6967 3.6967 4.0450 4.0450 4.0485 4.0485 4.7064 4.7064 4.7078 4.7078 5.5066 5.5066 5.5087 5.5087 6.2055 6.2055 6.2063 6.2063 6.9727 6.9727 6.9738 6.9738 13.1887 13.1887 13.1922 13.1922 14.5413 14.5413 14.5467 14.5467 16.3651 16.3651 16.3706 16.3706 k = 0.0250 0.4768-0.0312 ( 4142 PWs) bands (ev): -13.3162 -13.3162 -13.3158 -13.3158 -11.7873 -11.7873 -11.7869 -11.7869 -11.4245 -11.4245 -11.4244 -11.4244 -10.4690 -10.4690 -10.4689 -10.4689 -1.5008 -1.5008 -1.5001 -1.5000 -0.3114 -0.3114 -0.3084 -0.3084 0.5782 0.5782 0.5821 0.5821 1.6295 1.6295 1.6305 1.6305 2.6409 2.6409 2.6460 2.6460 3.1581 3.1581 3.1620 3.1620 3.6911 3.6911 3.6950 3.6950 4.0394 4.0394 4.0428 4.0428 4.7013 4.7013 4.7023 4.7023 5.5046 5.5046 5.5066 5.5066 6.2036 6.2036 6.2041 6.2041 6.9765 6.9765 6.9776 6.9776 13.1836 13.1836 13.1870 13.1870 14.5426 14.5426 14.5480 14.5480 16.3687 16.3687 16.3742 16.3742 k = 0.0125 0.4768-0.0312 ( 4142 PWs) bands (ev): -13.3181 -13.3181 -13.3178 -13.3178 -11.7876 -11.7876 -11.7872 -11.7872 -11.4245 -11.4245 -11.4245 -11.4245 -10.4657 -10.4657 -10.4656 -10.4656 -1.4941 -1.4941 -1.4936 -1.4936 -0.3187 -0.3187 -0.3157 -0.3157 0.5775 0.5775 0.5814 0.5814 1.6329 1.6329 1.6339 1.6339 2.6421 2.6421 2.6471 2.6471 3.1592 3.1592 3.1628 3.1628 3.6902 3.6902 3.6940 3.6940 4.0361 4.0361 4.0394 4.0394 4.6981 4.6981 4.6989 4.6989 5.5034 5.5034 5.5053 5.5053 6.2025 6.2025 6.2028 6.2028 6.9789 6.9789 6.9799 6.9799 13.1805 13.1805 13.1839 13.1839 14.5434 14.5434 14.5487 14.5487 16.3709 16.3709 16.3764 16.3764 k = 0.0000 0.4768-0.0312 ( 4142 PWs) bands (ev): -13.3188 -13.3188 -13.3185 -13.3185 -11.7876 -11.7876 -11.7873 -11.7873 -11.4245 -11.4245 -11.4245 -11.4245 -10.4646 -10.4646 -10.4646 -10.4646 -1.4918 -1.4918 -1.4914 -1.4914 -0.3211 -0.3211 -0.3182 -0.3182 0.5773 0.5773 0.5812 0.5812 1.6340 1.6340 1.6350 1.6350 2.6425 2.6425 2.6475 2.6475 3.1596 3.1596 3.1631 3.1631 3.6899 3.6899 3.6936 3.6936 4.0349 4.0349 4.0383 4.0383 4.6971 4.6971 4.6977 4.6977 5.5030 5.5030 5.5049 5.5049 6.2021 6.2021 6.2023 6.2023 6.9796 6.9796 6.9807 6.9807 13.1794 13.1794 13.1828 13.1828 14.5437 14.5437 14.5489 14.5489 16.3716 16.3716 16.3771 16.3771 k = 0.0000 0.4768-0.0312 ( 4142 PWs) bands (ev): -13.3188 -13.3188 -13.3185 -13.3185 -11.7876 -11.7876 -11.7873 -11.7873 -11.4245 -11.4245 -11.4245 -11.4245 -10.4646 -10.4646 -10.4646 -10.4646 -1.4918 -1.4918 -1.4914 -1.4914 -0.3211 -0.3211 -0.3182 -0.3182 0.5773 0.5773 0.5812 0.5812 1.6340 1.6340 1.6350 1.6350 2.6425 2.6425 2.6475 2.6475 3.1596 3.1596 3.1631 3.1631 3.6899 3.6899 3.6936 3.6936 4.0349 4.0349 4.0383 4.0383 4.6971 4.6971 4.6977 4.6977 5.5030 5.5030 5.5049 5.5049 6.2021 6.2021 6.2023 6.2023 6.9796 6.9796 6.9807 6.9807 13.1794 13.1794 13.1828 13.1828 14.5437 14.5437 14.5489 14.5489 16.3716 16.3716 16.3771 16.3771 k = 0.0000 0.4776-0.0188 ( 4139 PWs) bands (ev): -13.3319 -13.3316 -13.3051 -13.3048 -11.8067 -11.8064 -11.7707 -11.7703 -11.4293 -11.4292 -11.4180 -11.4180 -10.4698 -10.4698 -10.4594 -10.4594 -1.4930 -1.4926 -1.4900 -1.4895 -0.3383 -0.3355 -0.3051 -0.3021 0.5550 0.5590 0.6013 0.6051 1.6210 1.6219 1.6467 1.6477 2.6382 2.6437 2.6459 2.6504 3.1316 3.1345 3.1846 3.1887 3.6822 3.6861 3.6988 3.7023 4.0244 4.0279 4.0474 4.0505 4.6919 4.6925 4.7028 4.7036 5.4834 5.4853 5.5226 5.5245 6.1880 6.1882 6.2161 6.2162 6.9699 6.9709 6.9885 6.9896 13.1802 13.1816 13.1837 13.1848 14.5442 14.5450 14.5493 14.5504 16.3469 16.3525 16.3961 16.4016 k = 0.0000 0.4784-0.0065 ( 4134 PWs) bands (ev): -13.3445 -13.3442 -13.2909 -13.2906 -11.8276 -11.8273 -11.7562 -11.7557 -11.4321 -11.4320 -11.4102 -11.4102 -10.4751 -10.4751 -10.4543 -10.4543 -1.4935 -1.4930 -1.4875 -1.4870 -0.3566 -0.3538 -0.2905 -0.2873 0.5347 0.5386 0.6269 0.6308 1.6077 1.6086 1.6589 1.6599 2.6328 2.6389 2.6483 2.6522 3.1015 3.1037 3.2057 3.2104 3.6761 3.6801 3.7086 3.7119 4.0160 4.0196 4.0614 4.0643 4.6875 4.6880 4.7089 4.7097 5.4637 5.4657 5.5422 5.5440 6.1739 6.1741 6.2299 6.2300 6.9594 6.9604 6.9965 6.9976 13.1838 13.1867 13.1875 13.1898 14.5464 14.5481 14.5514 14.5536 16.3220 16.3276 16.4205 16.4260 k = 0.0000 0.4792 0.0059 ( 4142 PWs) bands (ev): -13.3566 -13.3563 -13.2762 -13.2759 -11.8500 -11.8497 -11.7443 -11.7438 -11.4327 -11.4326 -11.4013 -11.4012 -10.4804 -10.4804 -10.4492 -10.4492 -1.4933 -1.4928 -1.4843 -1.4839 -0.3757 -0.3731 -0.2772 -0.2740 0.5162 0.5202 0.6542 0.6581 1.5941 1.5950 1.6706 1.6717 2.6264 2.6330 2.6498 2.6531 3.0700 3.0716 3.2222 3.2275 3.6720 3.6761 3.7188 3.7218 4.0099 4.0136 4.0768 4.0795 4.6841 4.6844 4.7151 4.7160 5.4442 5.4462 5.5616 5.5634 6.1597 6.1599 6.2435 6.2436 6.9480 6.9490 7.0036 7.0046 13.1903 13.1941 13.1947 13.1976 14.5503 14.5530 14.5551 14.5587 16.2968 16.3025 16.4448 16.4503 k = 0.0000 0.4800 0.0182 ( 4140 PWs) bands (ev): -13.3682 -13.3679 -13.2610 -13.2607 -11.8737 -11.8734 -11.7352 -11.7347 -11.4309 -11.4307 -11.3915 -11.3914 -10.4857 -10.4856 -10.4442 -10.4442 -1.4924 -1.4919 -1.4806 -1.4802 -0.3957 -0.3932 -0.2655 -0.2622 0.4996 0.5036 0.6831 0.6869 1.5804 1.5812 1.6818 1.6829 2.6189 2.6260 2.6502 2.6530 3.0380 3.0390 3.2338 3.2395 3.6700 3.6741 3.7291 3.7319 4.0063 4.0100 4.0934 4.0958 4.6819 4.6821 4.7213 4.7224 5.4248 5.4268 5.5810 5.5827 6.1456 6.1458 6.2568 6.2569 6.9360 6.9369 7.0098 7.0109 13.1996 13.2035 13.2055 13.2082 14.5557 14.5596 14.5604 14.5655 16.2712 16.2769 16.4690 16.4746 k = 0.0000 0.4808 0.0306 ( 4142 PWs) bands (ev): -13.3792 -13.3789 -13.2453 -13.2450 -11.8984 -11.8982 -11.7289 -11.7284 -11.4268 -11.4266 -11.3811 -11.3810 -10.4910 -10.4909 -10.4394 -10.4393 -1.4907 -1.4902 -1.4764 -1.4760 -0.4163 -0.4139 -0.2554 -0.2521 0.4849 0.4889 0.7133 0.7171 1.5665 1.5673 1.6923 1.6935 2.6103 2.6178 2.6496 2.6518 3.0062 3.0066 3.2403 3.2465 3.6698 3.6738 3.7393 3.7419 4.0054 4.0091 4.1107 4.1128 4.6810 4.6811 4.7274 4.7285 5.4056 5.4077 5.6002 5.6018 6.1315 6.1318 6.2697 6.2698 6.9232 6.9241 7.0151 7.0162 13.2115 13.2155 13.2190 13.2215 14.5626 14.5670 14.5680 14.5739 16.2452 16.2509 16.4932 16.4988 k = 0.0000 0.4816 0.0429 ( 4147 PWs) bands (ev): -13.3897 -13.3895 -13.2291 -13.2288 -11.9240 -11.9237 -11.7252 -11.7247 -11.4204 -11.4202 -11.3703 -11.3701 -10.4962 -10.4962 -10.4346 -10.4346 -1.4883 -1.4879 -1.4716 -1.4712 -0.4375 -0.4351 -0.2469 -0.2435 0.4722 0.4761 0.7449 0.7486 1.5526 1.5534 1.7021 1.7034 2.6004 2.6083 2.6479 2.6494 2.9752 2.9754 3.2423 3.2488 3.6709 3.6747 3.7493 3.7516 4.0072 4.0108 4.1286 4.1305 4.6817 4.6818 4.7332 4.7343 5.3868 5.3888 5.6193 5.6209 6.1176 6.1179 6.2822 6.2823 6.9099 6.9108 7.0196 7.0207 13.2260 13.2301 13.2350 13.2374 14.5707 14.5749 14.5779 14.5839 16.2187 16.2244 16.5172 16.5230 k = 0.0000 0.4824 0.0553 ( 4149 PWs) bands (ev): -13.3998 -13.3995 -13.2125 -13.2122 -11.9501 -11.9499 -11.7238 -11.7233 -11.4122 -11.4120 -11.3592 -11.3591 -10.5015 -10.5014 -10.4299 -10.4299 -1.4852 -1.4848 -1.4665 -1.4661 -0.4590 -0.4568 -0.2400 -0.2367 0.4613 0.4651 0.7778 0.7814 1.5386 1.5394 1.7112 1.7125 2.5892 2.5975 2.6448 2.6457 2.9452 2.9461 3.2402 3.2469 3.6725 3.6760 3.7589 3.7610 4.0116 4.0151 4.1468 4.1484 4.6840 4.6842 4.7386 4.7397 5.3685 5.3705 5.6383 5.6398 6.1039 6.1041 6.2942 6.2942 6.8961 6.8969 7.0232 7.0243 13.2428 13.2470 13.2535 13.2557 14.5798 14.5839 14.5892 14.5953 16.1916 16.1974 16.5411 16.5471 k = 0.0000 0.4832 0.0676 ( 4151 PWs) bands (ev): -13.4093 -13.4090 -13.1955 -13.1952 -11.9767 -11.9765 -11.7244 -11.7239 -11.4024 -11.4022 -11.3481 -11.3479 -10.5066 -10.5066 -10.4254 -10.4253 -1.4814 -1.4810 -1.4610 -1.4606 -0.4808 -0.4787 -0.2347 -0.2314 0.4521 0.4559 0.8117 0.8153 1.5247 1.5255 1.7194 1.7208 2.5766 2.5853 2.6403 2.6405 2.9174 2.9188 3.2351 3.2420 3.6740 3.6772 3.7680 3.7699 4.0185 4.0218 4.1650 4.1664 4.6881 4.6884 4.7435 4.7447 5.3507 5.3527 5.6571 5.6585 6.0903 6.0906 6.3056 6.3057 6.8818 6.8826 7.0261 7.0271 13.2619 13.2661 13.2742 13.2763 14.5898 14.5937 14.6018 14.6080 16.1641 16.1699 16.5648 16.5709 k = 0.0000 0.4840 0.0799 ( 4146 PWs) bands (ev): -13.4183 -13.4181 -13.1780 -13.1777 -12.0036 -12.0035 -11.7265 -11.7260 -11.3915 -11.3913 -11.3370 -11.3368 -10.5117 -10.5117 -10.4209 -10.4209 -1.4770 -1.4765 -1.4552 -1.4548 -0.5027 -0.5007 -0.2310 -0.2277 0.4447 0.4484 0.8467 0.8502 1.5109 1.5117 1.7266 1.7281 2.5627 2.5717 2.6339 2.6342 2.8922 2.8942 3.2278 3.2347 3.6747 3.6776 3.7767 3.7784 4.0273 4.0306 4.1830 4.1842 4.6940 4.6944 4.7478 4.7490 5.3337 5.3356 5.6758 5.6770 6.0769 6.0772 6.3164 6.3164 6.8673 6.8681 7.0282 7.0292 13.2829 13.2871 13.2969 13.2988 14.6005 14.6041 14.6154 14.6216 16.1361 16.1419 16.5881 16.5945 k = 0.0000 0.4848 0.0923 ( 4147 PWs) bands (ev): -13.4269 -13.4267 -13.1602 -13.1599 -12.0307 -12.0305 -11.7298 -11.7293 -11.3798 -11.3796 -11.3261 -11.3259 -10.5167 -10.5167 -10.4167 -10.4167 -1.4718 -1.4713 -1.4491 -1.4488 -0.5246 -0.5227 -0.2287 -0.2255 0.4388 0.4424 0.8824 0.8859 1.4973 1.4981 1.7328 1.7343 2.5475 2.5566 2.6256 2.6265 2.8701 2.8725 3.2191 3.2261 3.6742 3.6769 3.7849 3.7863 4.0377 4.0408 4.2006 4.2016 4.7018 4.7023 4.7516 4.7528 5.3175 5.3194 5.6943 5.6954 6.0637 6.0641 6.3265 6.3265 6.8527 6.8534 7.0296 7.0306 13.3057 13.3099 13.3213 13.3230 14.6115 14.6150 14.6298 14.6361 16.1077 16.1135 16.6109 16.6175 k = 0.0000 0.4856 0.1046 ( 4154 PWs) bands (ev): -13.4350 -13.4348 -13.1422 -13.1419 -12.0577 -12.0576 -11.7339 -11.7334 -11.3677 -11.3675 -11.3155 -11.3153 -10.5216 -10.5216 -10.4126 -10.4125 -1.4660 -1.4655 -1.4430 -1.4427 -0.5465 -0.5447 -0.2276 -0.2246 0.4343 0.4377 0.9189 0.9224 1.4840 1.4847 1.7379 1.7395 2.5310 2.5402 2.6158 2.6171 2.8512 2.8539 3.2099 3.2168 3.6724 3.6748 3.7926 3.7938 4.0490 4.0520 4.2177 4.2184 4.7112 4.7119 4.7548 4.7559 5.3024 5.3042 5.7125 5.7136 6.0508 6.0512 6.3358 6.3358 6.8380 6.8387 7.0303 7.0313 13.3298 13.3341 13.3469 13.3485 14.6228 14.6261 14.6448 14.6510 16.0791 16.0849 16.6330 16.6399 k = 0.0000 0.4864 0.1170 ( 4152 PWs) bands (ev): -13.4427 -13.4425 -13.1239 -13.1236 -12.0846 -12.0845 -11.7384 -11.7380 -11.3555 -11.3554 -11.3052 -11.3050 -10.5263 -10.5263 -10.4086 -10.4086 -1.4596 -1.4591 -1.4369 -1.4366 -0.5681 -0.5664 -0.2277 -0.2248 0.4310 0.4342 0.9560 0.9594 1.4710 1.4716 1.7418 1.7433 2.5133 2.5225 2.6046 2.6062 2.8356 2.8386 3.2007 3.2075 3.6693 3.6715 3.7997 3.8008 4.0608 4.0636 4.2340 4.2346 4.7222 4.7230 4.7574 4.7585 5.2884 5.2902 5.7305 5.7315 6.0381 6.0386 6.3443 6.3443 6.8235 6.8241 7.0305 7.0315 13.3552 13.3593 13.3736 13.3750 14.6341 14.6372 14.6600 14.6662 16.0506 16.0562 16.6542 16.6614 k = 0.0000 0.4872 0.1293 ( 4149 PWs) bands (ev): -13.4499 -13.4497 -13.1054 -13.1052 -12.1112 -12.1110 -11.7432 -11.7428 -11.3435 -11.3434 -11.2955 -11.2953 -10.5309 -10.5309 -10.4049 -10.4048 -1.4526 -1.4521 -1.4308 -1.4306 -0.5894 -0.5878 -0.2287 -0.2259 0.4288 0.4318 0.9934 0.9967 1.4583 1.4590 1.7443 1.7459 2.4946 2.5038 2.5923 2.5942 2.8233 2.8264 3.1920 3.1986 3.6651 3.6670 3.8063 3.8073 4.0724 4.0751 4.2494 4.2498 4.7344 4.7353 4.7595 4.7605 5.2757 5.2774 5.7483 5.7491 6.0258 6.0262 6.3519 6.3519 6.8094 6.8099 7.0302 7.0311 13.3812 13.3853 13.4007 13.4020 14.6453 14.6481 14.6753 14.6814 16.0222 16.0278 16.6744 16.6820 k = 0.0000 0.4881 0.1417 ( 4153 PWs) bands (ev): -13.4567 -13.4565 -13.0869 -13.0867 -12.1373 -12.1372 -11.7480 -11.7476 -11.3319 -11.3317 -11.2863 -11.2861 -10.5353 -10.5353 -10.4013 -10.4013 -1.4451 -1.4446 -1.4250 -1.4247 -0.6102 -0.6087 -0.2305 -0.2278 0.4274 0.4303 1.0309 1.0341 1.4462 1.4468 1.7454 1.7470 2.4753 2.4842 2.5794 2.5813 2.8139 2.8170 3.1840 3.1904 3.6598 3.6616 3.8124 3.8132 4.0836 4.0862 4.2637 4.2641 4.7474 4.7483 4.7611 4.7621 5.2644 5.2660 5.7656 5.7663 6.0136 6.0142 6.3586 6.3586 6.7957 6.7962 7.0294 7.0303 13.4077 13.4116 13.4280 13.4291 14.6561 14.6587 14.6902 14.6961 15.9945 15.9998 16.6935 16.7015 k = 0.0000 0.4889 0.1540 ( 4149 PWs) bands (ev): -13.4631 -13.4629 -13.0685 -13.0683 -12.1628 -12.1626 -11.7526 -11.7523 -11.3207 -11.3206 -11.2777 -11.2775 -10.5395 -10.5395 -10.3979 -10.3979 -1.4371 -1.4366 -1.4195 -1.4193 -0.6305 -0.6291 -0.2327 -0.2302 0.4267 0.4294 1.0683 1.0715 1.4346 1.4352 1.7451 1.7466 2.4555 2.4641 2.5663 2.5682 2.8072 2.8101 3.1771 3.1832 3.6539 3.6555 3.8180 3.8187 4.0941 4.0964 4.2769 4.2772 4.7591 4.7593 4.7649 4.7649 5.2546 5.2561 5.7826 5.7831 6.0018 6.0024 6.3644 6.3644 6.7827 6.7832 7.0283 7.0291 13.4340 13.4377 13.4548 13.4557 14.6665 14.6689 14.7046 14.7103 15.9677 15.9728 16.7115 16.7198 k = 0.0000 0.4897 0.1664 ( 4149 PWs) bands (ev): -13.4690 -13.4689 -13.0503 -13.0501 -12.1874 -12.1873 -11.7570 -11.7567 -11.3103 -11.3102 -11.2698 -11.2696 -10.5435 -10.5435 -10.3947 -10.3947 -1.4286 -1.4282 -1.4144 -1.4142 -0.6501 -0.6488 -0.2352 -0.2329 0.4266 0.4291 1.1053 1.1084 1.4237 1.4243 1.7432 1.7446 2.4357 2.4438 2.5533 2.5550 2.8027 2.8053 3.1712 3.1769 3.6475 3.6489 3.8230 3.8236 4.1036 4.1058 4.2890 4.2892 4.7613 4.7619 4.7764 4.7772 5.2463 5.2476 5.7991 5.7995 5.9903 5.9909 6.3692 6.3693 6.7706 6.7710 7.0269 7.0277 13.4598 13.4633 13.4806 13.4814 14.6765 14.6787 14.7182 14.7235 15.9423 15.9472 16.7285 16.7370 k = 0.0000 0.4905 0.1787 ( 4146 PWs) bands (ev): -13.4746 -13.4744 -13.0324 -13.0322 -12.2111 -12.2110 -11.7609 -11.7607 -11.3006 -11.3006 -11.2627 -11.2625 -10.5472 -10.5472 -10.3917 -10.3917 -1.4199 -1.4195 -1.4099 -1.4097 -0.6688 -0.6676 -0.2378 -0.2357 0.4269 0.4292 1.1416 1.1445 1.4135 1.4140 1.7398 1.7411 2.4163 2.4238 2.5409 2.5424 2.8001 2.8024 3.1664 3.1716 3.6408 3.6421 3.8274 3.8280 4.1120 4.1140 4.2997 4.2999 4.7615 4.7620 4.7898 4.7908 5.2395 5.2407 5.8150 5.8153 5.9790 5.9796 6.3732 6.3733 6.7594 6.7598 7.0253 7.0260 13.4844 13.4877 13.5048 13.5054 14.6860 14.6880 14.7307 14.7357 15.9187 15.9232 16.7445 16.7531 k = 0.0000 0.4913 0.1910 ( 4144 PWs) bands (ev): -13.4797 -13.4796 -13.0151 -13.0149 -12.2335 -12.2334 -11.7644 -11.7642 -11.2918 -11.2918 -11.2564 -11.2562 -10.5506 -10.5506 -10.3890 -10.3890 -1.4109 -1.4106 -1.4061 -1.4059 -0.6867 -0.6856 -0.2403 -0.2384 0.4275 0.4295 1.1767 1.1794 1.4042 1.4046 1.7350 1.7361 2.3977 2.4045 2.5292 2.5305 2.7992 2.8012 3.1626 3.1673 3.6342 3.6353 3.8313 3.8318 4.1194 4.1211 4.3092 4.3093 4.7610 4.7614 4.8028 4.8039 5.2342 5.2353 5.8303 5.8305 5.9681 5.9687 6.3764 6.3764 6.7494 6.7497 7.0236 7.0243 13.5074 13.5103 13.5268 13.5273 14.6952 14.6968 14.7421 14.7466 15.8974 15.9014 16.7597 16.7682 k = 0.0000 0.4921 0.2034 ( 4147 PWs) bands (ev): -13.4845 -13.4844 -12.9985 -12.9983 -12.2544 -12.2544 -11.7672 -11.7671 -11.2840 -11.2840 -11.2510 -11.2508 -10.5538 -10.5537 -10.3865 -10.3865 -1.4032 -1.4032 -1.4015 -1.4012 -0.7034 -0.7024 -0.2424 -0.2408 0.4282 0.4300 1.2100 1.2125 1.3957 1.3961 1.7289 1.7299 2.3803 2.3863 2.5185 2.5196 2.7997 2.8013 3.1598 3.1639 3.6279 3.6288 3.8347 3.8352 4.1256 4.1271 4.3174 4.3175 4.7601 4.7604 4.8150 4.8160 5.2303 5.2312 5.8450 5.8450 5.9575 5.9582 6.3788 6.3789 6.7406 6.7409 7.0219 7.0225 13.5282 13.5307 13.5461 13.5465 14.7040 14.7054 14.7523 14.7562 15.8786 15.8821 16.7763 16.7841 k = 0.0000 0.4929 0.2157 ( 4145 PWs) bands (ev): -13.4888 -13.4887 -12.9829 -12.9828 -12.2736 -12.2736 -11.7694 -11.7693 -11.2772 -11.2772 -11.2465 -11.2464 -10.5566 -10.5565 -10.3843 -10.3842 -1.4010 -1.4009 -1.3924 -1.3921 -0.7190 -0.7181 -0.2441 -0.2427 0.4290 0.4306 1.2410 1.2433 1.3883 1.3886 1.7219 1.7227 2.3645 2.3696 2.5090 2.5097 2.8015 2.8026 3.1577 3.1612 3.6220 3.6228 3.8376 3.8380 4.1308 4.1320 4.3242 4.3243 4.7587 4.7589 4.8260 4.8271 5.2276 5.2283 5.8587 5.8588 5.9474 5.9480 6.3807 6.3807 6.7331 6.7333 7.0202 7.0207 13.5461 13.5482 13.5620 13.5623 14.7126 14.7137 14.7612 14.7644 15.8626 15.8657 16.7617 16.7640 k = 0.0000 0.4937 0.2281 ( 4145 PWs) bands (ev): -13.4928 -13.4927 -12.9686 -12.9685 -12.2907 -12.2907 -11.7709 -11.7709 -11.2714 -11.2714 -11.2430 -11.2429 -10.5590 -10.5590 -10.3823 -10.3822 -1.3998 -1.3998 -1.3833 -1.3830 -0.7332 -0.7324 -0.2452 -0.2440 0.4298 0.4312 1.2687 1.2707 1.3819 1.3821 1.7145 1.7150 2.3508 2.3548 2.5007 2.5012 2.8044 2.8050 3.1564 3.1592 3.6169 3.6174 3.8399 3.8403 4.1349 4.1359 4.3298 4.3299 4.7570 4.7570 4.8357 4.8368 5.2258 5.2264 5.8713 5.8715 5.9378 5.9384 6.3820 6.3820 6.7270 6.7272 7.0187 7.0191 13.5607 13.5624 13.5742 13.5743 14.7211 14.7220 14.7688 14.7713 15.8499 15.8522 16.7421 16.7442 k = 0.0000 0.4945 0.2404 ( 4139 PWs) bands (ev): -13.4963 -13.4963 -12.9559 -12.9558 -12.3055 -12.3055 -11.7717 -11.7717 -11.2668 -11.2668 -11.2405 -11.2404 -10.5611 -10.5611 -10.3805 -10.3805 -1.3998 -1.3998 -1.3743 -1.3741 -0.7459 -0.7452 -0.2456 -0.2446 0.4306 0.4317 1.2923 1.2939 1.3766 1.3768 1.7074 1.7077 2.3393 2.3423 2.4937 2.4939 2.8082 2.8084 3.1556 3.1577 3.6126 3.6129 3.8417 3.8420 4.1380 4.1388 4.3341 4.3342 4.7546 4.7548 4.8439 4.8450 5.2249 5.2253 5.8823 5.8826 5.9293 5.9299 6.3830 6.3830 6.7222 6.7225 7.0173 7.0176 13.5715 13.5726 13.5821 13.5821 14.7295 14.7301 14.7753 14.7769 15.8404 15.8420 16.7262 16.7280 k = 0.5000 0.4590 0.3027 ( 4112 PWs) bands (ev): -12.8572 -12.8571 -12.4093 -12.4090 -11.9788 -11.9786 -11.6936 -11.6933 -11.5643 -11.5638 -11.5459 -11.5454 -11.3001 -11.2995 -11.0547 -11.0545 -2.2848 -2.2845 -1.7984 -1.7981 -0.5521 -0.5513 0.2367 0.2377 0.9229 0.9235 1.1308 1.1313 1.2304 1.2315 1.3452 1.3453 2.1527 2.1532 2.4099 2.4100 2.9476 2.9480 3.5023 3.5024 3.8998 3.9002 4.1698 4.1713 4.2384 4.2409 4.6516 4.6532 5.0413 5.0413 5.0479 5.0481 5.7447 5.7455 5.7650 5.7654 6.2404 6.2404 6.2728 6.2734 6.8874 6.8876 7.2727 7.2729 13.3241 13.3247 13.5073 13.5080 14.8457 14.8464 14.9593 14.9593 16.1610 16.1627 16.1992 16.2000 k = 0.5000 0.4463 0.3027 ( 4112 PWs) bands (ev): -12.8582 -12.8581 -12.4270 -12.4267 -11.9626 -11.9624 -11.7025 -11.7020 -11.5670 -11.5663 -11.5363 -11.5356 -11.2941 -11.2933 -11.0543 -11.0541 -2.2851 -2.2848 -1.7960 -1.7957 -0.5523 -0.5515 0.2424 0.2434 0.9252 0.9257 1.1249 1.1253 1.2328 1.2340 1.3459 1.3460 2.1501 2.1506 2.4074 2.4074 2.9527 2.9533 3.4848 3.4850 3.8857 3.8861 4.1782 4.1806 4.2436 4.2480 4.6540 4.6569 5.0411 5.0418 5.0525 5.0541 5.7374 5.7387 5.7646 5.7654 6.2374 6.2375 6.2735 6.2746 6.8877 6.8880 7.2704 7.2707 13.3310 13.3319 13.5081 13.5091 14.8496 14.8506 14.9533 14.9533 16.1562 16.1582 16.1966 16.1976 k = 0.5000 0.4335 0.3027 ( 4110 PWs) bands (ev): -12.8610 -12.8609 -12.4489 -12.4485 -11.9430 -11.9427 -11.7116 -11.7110 -11.5706 -11.5698 -11.5246 -11.5239 -11.2858 -11.2848 -11.0533 -11.0531 -2.2847 -2.2842 -1.7923 -1.7921 -0.5524 -0.5515 0.2492 0.2504 0.9279 0.9284 1.1159 1.1162 1.2340 1.2352 1.3492 1.3493 2.1478 2.1483 2.4030 2.4031 2.9587 2.9595 3.4637 3.4642 3.8692 3.8696 4.1761 4.1784 4.2623 4.2673 4.6527 4.6567 5.0416 5.0431 5.0633 5.0661 5.7279 5.7297 5.7635 5.7645 6.2323 6.2324 6.2735 6.2750 6.8880 6.8883 7.2679 7.2684 13.3397 13.3408 13.5099 13.5111 14.8555 14.8569 14.9450 14.9450 16.1520 16.1543 16.1927 16.1939 k = 0.5000 0.4208 0.3027 ( 4102 PWs) bands (ev): -12.8656 -12.8655 -12.4739 -12.4735 -11.9210 -11.9207 -11.7207 -11.7201 -11.5748 -11.5738 -11.5113 -11.5106 -11.2756 -11.2744 -11.0517 -11.0516 -2.2835 -2.2829 -1.7873 -1.7872 -0.5523 -0.5514 0.2572 0.2585 0.9309 0.9314 1.1036 1.1038 1.2339 1.2352 1.3550 1.3550 2.1460 2.1466 2.3971 2.3971 2.9656 2.9666 3.4401 3.4408 3.8506 3.8510 4.1689 4.1709 4.2872 4.2926 4.6479 4.6528 5.0432 5.0452 5.0794 5.0831 5.7163 5.7187 5.7616 5.7629 6.2251 6.2254 6.2727 6.2747 6.8884 6.8887 7.2652 7.2658 13.3500 13.3514 13.5127 13.5141 14.8632 14.8650 14.9348 14.9348 16.1485 16.1512 16.1874 16.1888 k = 0.5000 0.4080 0.3027 ( 4106 PWs) bands (ev): -12.8719 -12.8718 -12.5011 -12.5007 -11.8980 -11.8976 -11.7297 -11.7291 -11.5789 -11.5778 -11.4965 -11.4958 -11.2636 -11.2623 -11.0496 -11.0495 -2.2815 -2.2807 -1.7810 -1.7809 -0.5523 -0.5513 0.2664 0.2677 0.9341 0.9345 1.0882 1.0883 1.2326 1.2340 1.3630 1.3631 2.1449 2.1456 2.3897 2.3897 2.9733 2.9744 3.4144 3.4153 3.8305 3.8308 4.1599 4.1618 4.3139 4.3196 4.6402 4.6457 5.0458 5.0482 5.0996 5.1040 5.7027 5.7056 5.7588 5.7604 6.2160 6.2165 6.2712 6.2736 6.8888 6.8892 7.2623 7.2630 13.3621 13.3637 13.5165 13.5181 14.8728 14.8750 14.9226 14.9226 16.1460 16.1489 16.1807 16.1824 k = 0.5000 0.3953 0.3027 ( 4110 PWs) bands (ev): -12.8797 -12.8796 -12.5299 -12.5295 -11.8748 -11.8744 -11.7385 -11.7379 -11.5826 -11.5813 -11.4806 -11.4799 -11.2501 -11.2487 -11.0469 -11.0468 -2.2786 -2.2777 -1.7734 -1.7734 -0.5524 -0.5513 0.2765 0.2780 0.9373 0.9378 1.0696 1.0697 1.2304 1.2319 1.3731 1.3734 2.1446 2.1454 2.3811 2.3812 2.9818 2.9830 3.3875 3.3885 3.8090 3.8092 4.1504 4.1521 4.3406 4.3467 4.6301 4.6360 5.0495 5.0523 5.1229 5.1276 5.6873 5.6908 5.7550 5.7569 6.2054 6.2060 6.2690 6.2719 6.8894 6.8899 7.2592 7.2600 13.3757 13.3775 13.5213 13.5231 14.8841 14.8866 14.9088 14.9089 16.1446 16.1476 16.1727 16.1746 k = 0.5000 0.3825 0.3027 ( 4116 PWs) bands (ev): -12.8888 -12.8887 -12.5597 -12.5592 -11.8526 -11.8521 -11.7470 -11.7464 -11.5850 -11.5837 -11.4636 -11.4629 -11.2353 -11.2338 -11.0436 -11.0435 -2.2747 -2.2737 -1.7646 -1.7645 -0.5528 -0.5517 0.2877 0.2892 0.9405 0.9408 1.0479 1.0481 1.2274 1.2290 1.3852 1.3855 2.1454 2.1463 2.3716 2.3719 2.9911 2.9923 3.3599 3.3609 3.7865 3.7867 4.1405 4.1421 4.3663 4.3727 4.6182 4.6244 5.0541 5.0572 5.1478 5.1527 5.6703 5.6744 5.7502 5.7523 6.1934 6.1943 6.2662 6.2695 6.8902 6.8907 7.2559 7.2568 13.3909 13.3930 13.5270 13.5290 14.8932 14.8937 14.8976 14.8998 16.1444 16.1475 16.1634 16.1656 k = 0.5000 0.3698 0.3027 ( 4120 PWs) bands (ev): -12.8993 -12.8992 -12.5900 -12.5896 -11.8322 -11.8318 -11.7554 -11.7547 -11.5856 -11.5843 -11.4457 -11.4451 -11.2193 -11.2178 -11.0397 -11.0397 -2.2699 -2.2688 -1.7544 -1.7543 -0.5537 -0.5525 0.2998 0.3013 0.9433 0.9436 1.0233 1.0236 1.2239 1.2256 1.3989 1.3993 2.1474 2.1483 2.3614 2.3618 3.0011 3.0024 3.3321 3.3331 3.7633 3.7634 4.1303 4.1319 4.3905 4.3972 4.6050 4.6112 5.0597 5.0630 5.1734 5.1782 5.6522 5.6569 5.7441 5.7465 6.1805 6.1816 6.2627 6.2665 6.8912 6.8918 7.2524 7.2533 13.4077 13.4099 13.5337 13.5358 14.8775 14.8776 14.9113 14.9144 16.1452 16.1483 16.1532 16.1558 k = 0.5000 0.3570 0.3027 ( 4124 PWs) bands (ev): -12.9108 -12.9107 -12.6206 -12.6202 -11.8146 -11.8142 -11.7634 -11.7628 -11.5837 -11.5824 -11.4272 -11.4267 -11.2023 -11.2008 -11.0353 -11.0352 -2.2641 -2.2629 -1.7430 -1.7428 -0.5553 -0.5540 0.3125 0.3142 0.9456 0.9459 0.9960 0.9964 1.2201 1.2219 1.4140 1.4145 2.1507 2.1516 2.3507 2.3514 3.0119 3.0131 3.3045 3.3054 3.7397 3.7398 4.1197 4.1214 4.4128 4.4197 4.5907 4.5970 5.0661 5.0694 5.1983 5.2030 5.6334 5.6387 5.7366 5.7391 6.1671 6.1685 6.2588 6.2630 6.8925 6.8932 7.2487 7.2496 13.4259 13.4283 13.5413 13.5435 14.8606 14.8608 14.9267 14.9302 16.1407 16.1435 16.1490 16.1523 k = 0.5000 0.3443 0.3027 ( 4122 PWs) bands (ev): -12.9232 -12.9231 -12.6513 -12.6509 -11.8006 -11.8002 -11.7713 -11.7707 -11.5784 -11.5772 -11.4082 -11.4078 -11.1845 -11.1829 -11.0302 -11.0301 -2.2573 -2.2560 -1.7302 -1.7299 -0.5578 -0.5564 0.3258 0.3275 0.9472 0.9475 0.9661 0.9666 1.2164 1.2183 1.4304 1.4310 2.1554 2.1564 2.3399 2.3409 3.0234 3.0245 3.2775 3.2784 3.7160 3.7160 4.1087 4.1105 4.4329 4.4401 4.5758 4.5820 5.0732 5.0765 5.2214 5.2259 5.6145 5.6205 5.7273 5.7300 6.1537 6.1553 6.2543 6.2590 6.8942 6.8950 7.2447 7.2457 13.4455 13.4481 13.5497 13.5521 14.8433 14.8435 14.9432 14.9471 16.1291 16.1322 16.1530 16.1562 k = 0.5000 0.3315 0.3027 ( 4120 PWs) bands (ev): -12.9364 -12.9363 -12.6818 -12.6813 -11.7906 -11.7903 -11.7790 -11.7785 -11.5696 -11.5685 -11.3890 -11.3887 -11.1659 -11.1643 -11.0245 -11.0243 -2.2493 -2.2479 -1.7160 -1.7158 -0.5614 -0.5600 0.3394 0.3411 0.9337 0.9345 0.9482 0.9483 1.2133 1.2153 1.4478 1.4485 2.1616 2.1626 2.3292 2.3304 3.0356 3.0367 3.2513 3.2521 3.6922 3.6922 4.0972 4.0991 4.4509 4.4582 4.5603 4.5665 5.0807 5.0839 5.2414 5.2456 5.5964 5.6031 5.7159 5.7187 6.1408 6.1427 6.2496 6.2547 6.8963 6.8972 7.2406 7.2416 13.4663 13.4691 13.5590 13.5614 14.8258 14.8261 14.9604 14.9646 16.1170 16.1205 16.1589 16.1621 k = 0.5000 0.3188 0.3027 ( 4116 PWs) bands (ev): -12.9502 -12.9501 -12.7119 -12.7115 -11.7870 -11.7862 -11.7842 -11.7842 -11.5574 -11.5564 -11.3698 -11.3695 -11.1466 -11.1451 -11.0180 -11.0178 -2.2403 -2.2388 -1.7006 -1.7002 -0.5665 -0.5651 0.3528 0.3545 0.8998 0.9006 0.9480 0.9481 1.2111 1.2131 1.4659 1.4668 2.1692 2.1702 2.3186 2.3202 3.0487 3.0496 3.2263 3.2270 3.6686 3.6687 4.0851 4.0872 4.4667 4.4740 4.5445 4.5506 5.0885 5.0914 5.2570 5.2609 5.5801 5.5874 5.7021 5.7050 6.1289 6.1310 6.2446 6.2502 6.8987 6.8997 7.2362 7.2373 13.4883 13.4912 13.5690 13.5715 14.8085 14.8090 14.9782 14.9827 16.1052 16.1091 16.1666 16.1697 k = 0.5000 0.3060 0.3027 ( 4116 PWs) bands (ev): -12.9645 -12.9643 -12.7417 -12.7412 -11.7940 -11.7935 -11.7821 -11.7821 -11.5422 -11.5414 -11.3508 -11.3506 -11.1268 -11.1253 -11.0109 -11.0105 -2.2300 -2.2284 -1.6838 -1.6834 -0.5732 -0.5717 0.3655 0.3672 0.8646 0.8656 0.9469 0.9470 1.2101 1.2122 1.4846 1.4856 2.1781 2.1791 2.3085 2.3104 3.0624 3.0630 3.2025 3.2031 3.6455 3.6456 4.0723 4.0745 4.4803 4.4875 4.5286 4.5344 5.0964 5.0989 5.2669 5.2704 5.5667 5.5746 5.6855 5.6884 6.1185 6.1209 6.2396 6.2455 6.9016 6.9026 7.2316 7.2327 13.5112 13.5142 13.5798 13.5823 14.7918 14.7924 14.9962 15.0011 16.0942 16.0985 16.1761 16.1791 k = 0.5000 0.2933 0.3027 ( 4116 PWs) bands (ev): -12.9790 -12.9788 -12.7708 -12.7704 -11.8012 -11.8007 -11.7828 -11.7827 -11.5249 -11.5243 -11.3321 -11.3321 -11.1064 -11.1050 -11.0029 -11.0025 -2.2185 -2.2169 -1.6657 -1.6652 -0.5819 -0.5803 0.3764 0.3781 0.8293 0.8304 0.9451 0.9452 1.2106 1.2127 1.5035 1.5046 2.1883 2.1894 2.2991 2.3012 3.0766 3.0770 3.1802 3.1806 3.6231 3.6232 4.0588 4.0612 4.4918 4.4981 4.5133 4.5182 5.1041 5.1062 5.2699 5.2731 5.5571 5.5655 5.6661 5.6688 6.1101 6.1127 6.2346 6.2409 6.9049 6.9060 7.2268 7.2279 13.5350 13.5381 13.5912 13.5937 14.7759 14.7766 15.0141 15.0193 16.0846 16.0893 16.1874 16.1903 k = 0.5000 0.2805 0.3027 ( 4110 PWs) bands (ev): -12.9937 -12.9935 -12.7993 -12.7988 -11.8083 -11.8078 -11.7856 -11.7854 -11.5062 -11.5057 -11.3143 -11.3142 -11.0857 -11.0843 -10.9941 -10.9936 -2.2057 -2.2040 -1.6463 -1.6458 -0.5926 -0.5911 0.3844 0.3861 0.7953 0.7965 0.9428 0.9428 1.2126 1.2148 1.5222 1.5235 2.1997 2.2007 2.2905 2.2929 3.0913 3.0913 3.1595 3.1597 3.6015 3.6018 4.0446 4.0472 4.4941 4.4984 4.5048 4.5107 5.1115 5.1130 5.2655 5.2686 5.5517 5.5604 5.6436 5.6461 6.1039 6.1067 6.2298 6.2364 6.9086 6.9098 7.2217 7.2228 13.5594 13.5626 13.6032 13.6057 14.7611 14.7620 15.0316 15.0371 16.0770 16.0821 16.2005 16.2033 k = 0.5000 0.2678 0.3027 ( 4118 PWs) bands (ev): -13.0083 -13.0082 -12.8270 -12.8266 -11.8152 -11.8147 -11.7900 -11.7898 -11.4868 -11.4864 -11.2973 -11.2971 -11.0647 -11.0634 -10.9845 -10.9839 -2.1915 -2.1899 -1.6256 -1.6251 -0.6057 -0.6042 0.3876 0.3892 0.7645 0.7659 0.9403 0.9405 1.2161 1.2183 1.5405 1.5419 2.2120 2.2131 2.2830 2.2857 3.1053 3.1058 3.1405 3.1407 3.5812 3.5817 4.0298 4.0326 4.4785 4.4843 4.5105 4.5179 5.1183 5.1192 5.2541 5.2572 5.5500 5.5588 5.6180 5.6203 6.0999 6.1030 6.2253 6.2322 6.9127 6.9140 7.2165 7.2175 13.5841 13.5875 13.6158 13.6181 14.7477 14.7488 15.0483 15.0540 16.0719 16.0774 16.2155 16.2180 k = 0.5000 0.2550 0.3027 ( 4128 PWs) bands (ev): -13.0229 -13.0227 -12.8540 -12.8535 -11.8219 -11.8215 -11.7954 -11.7952 -11.4671 -11.4669 -11.2814 -11.2810 -11.0435 -11.0423 -10.9740 -10.9733 -2.1760 -2.1743 -1.6038 -1.6031 -0.6213 -0.6197 0.3835 0.3851 0.7397 0.7411 0.9383 0.9385 1.2209 1.2231 1.5578 1.5594 2.2252 2.2262 2.2769 2.2798 3.1152 3.1177 3.1251 3.1270 3.5627 3.5635 4.0143 4.0173 4.4623 4.4680 4.5169 4.5241 5.1245 5.1246 5.2369 5.2402 5.5509 5.5596 5.5898 5.5917 6.0983 6.1015 6.2213 6.2285 6.9173 6.9186 7.2110 7.2120 13.6089 13.6126 13.6289 13.6309 14.7361 14.7374 15.0639 15.0698 16.0699 16.0758 16.2321 16.2344 k = 0.5000 0.2423 0.3027 ( 4128 PWs) bands (ev): -13.0372 -13.0370 -12.8801 -12.8796 -11.8284 -11.8280 -11.8016 -11.8013 -11.4476 -11.4474 -11.2667 -11.2662 -11.0223 -11.0211 -10.9627 -10.9618 -2.1591 -2.1573 -1.5807 -1.5800 -0.6395 -0.6379 0.3699 0.3714 0.7231 0.7247 0.9372 0.9375 1.2268 1.2289 1.5738 1.5754 2.2390 2.2399 2.2725 2.2755 3.1046 3.1055 3.1344 3.1345 3.5466 3.5476 3.9983 4.0015 4.4462 4.4516 4.5220 4.5291 5.1291 5.1299 5.2153 5.2189 5.5522 5.5584 5.5601 5.5637 6.0988 6.1022 6.2179 6.2252 6.9223 6.9236 7.2053 7.2063 13.6328 13.6375 13.6431 13.6441 14.7265 14.7280 15.0782 15.0842 16.0715 16.0777 16.2504 16.2525 k = 0.5000 0.2295 0.3027 ( 4130 PWs) bands (ev): -13.0512 -13.0510 -12.9052 -12.9048 -11.8347 -11.8344 -11.8082 -11.8079 -11.4284 -11.4284 -11.2533 -11.2526 -11.0011 -11.0000 -10.9505 -10.9496 -2.1406 -2.1389 -1.5566 -1.5558 -0.6602 -0.6586 0.3456 0.3471 0.7163 0.7179 0.9375 0.9379 1.2335 1.2355 1.5879 1.5896 2.2532 2.2537 2.2704 2.2732 3.0905 3.0909 3.1450 3.1457 3.5336 3.5350 3.9819 3.9853 4.4301 4.4353 4.5259 4.5328 5.1326 5.1342 5.1906 5.1944 5.5259 5.5268 5.5562 5.5641 6.1011 6.1046 6.2152 6.2226 6.9276 6.9290 7.1994 7.2003 13.6523 13.6571 13.6618 13.6625 14.7192 14.7209 15.0907 15.0968 16.0769 16.0834 16.2703 16.2721 k = 0.5000 0.2168 0.3027 ( 4128 PWs) bands (ev): -13.0648 -13.0646 -12.9294 -12.9289 -11.8408 -11.8405 -11.8150 -11.8147 -11.4099 -11.4098 -11.2412 -11.2405 -10.9801 -10.9792 -10.9377 -10.9366 -2.1207 -2.1190 -1.5315 -1.5307 -0.6834 -0.6818 0.3111 0.3126 0.7188 0.7204 0.9397 0.9402 1.2405 1.2425 1.5995 1.6013 2.2654 2.2672 2.2731 2.2737 3.0774 3.0776 3.1530 3.1542 3.5248 3.5265 3.9652 3.9688 4.4143 4.4193 4.5286 4.5353 5.1346 5.1373 5.1640 5.1681 5.4921 5.4922 5.5577 5.5652 6.1050 6.1087 6.2132 6.2206 6.9333 6.9347 7.1933 7.1942 13.6670 13.6706 13.6846 13.6863 14.7145 14.7164 15.1014 15.1075 16.0864 16.0932 16.2916 16.2931 k = 0.5000 0.2040 0.3027 ( 4134 PWs) bands (ev): -13.0778 -13.0776 -12.9525 -12.9521 -11.8466 -11.8463 -11.8219 -11.8216 -11.3920 -11.3918 -11.2306 -11.2297 -10.9595 -10.9586 -10.9242 -10.9231 -2.0993 -2.0976 -1.5056 -1.5048 -0.7088 -0.7073 0.2682 0.2698 0.7290 0.7306 0.9441 0.9446 1.2476 1.2496 1.6083 1.6101 2.2704 2.2746 2.2838 2.2854 3.0656 3.0656 3.1571 3.1588 3.5210 3.5230 3.9485 3.9524 4.3988 4.4035 4.5302 4.5367 5.1343 5.1370 5.1373 5.1423 5.4570 5.4579 5.5578 5.5650 6.1102 6.1140 6.2118 6.2193 6.9394 6.9408 7.1870 7.1878 13.6809 13.6841 13.7074 13.7093 14.7125 14.7147 15.1101 15.1161 16.1002 16.1071 16.3141 16.3153 k = 0.5000 0.1913 0.3027 ( 4134 PWs) bands (ev): -13.0902 -13.0900 -12.9746 -12.9742 -11.8522 -11.8519 -11.8287 -11.8284 -11.3749 -11.3746 -11.2214 -11.2204 -10.9393 -10.9386 -10.9104 -10.9092 -2.0763 -2.0746 -1.4793 -1.4784 -0.7361 -0.7346 0.2190 0.2206 0.7451 0.7467 0.9509 0.9515 1.2544 1.2563 1.6137 1.6156 2.2760 2.2801 2.2986 2.3001 3.0547 3.0548 3.1567 3.1587 3.5229 3.5251 3.9321 3.9361 4.3836 4.3882 4.5307 4.5371 5.1081 5.1123 5.1334 5.1390 5.4222 5.4242 5.5562 5.5629 6.1164 6.1203 6.2112 6.2186 6.9458 6.9472 7.1804 7.1812 13.6945 13.6975 13.7292 13.7311 14.7134 14.7159 15.1167 15.1225 16.1182 16.1253 16.3378 16.3386 k = 0.5000 0.1785 0.3027 ( 4132 PWs) bands (ev): -13.1019 -13.1017 -12.9957 -12.9952 -11.8574 -11.8572 -11.8354 -11.8351 -11.3586 -11.3582 -11.2135 -11.2125 -10.9197 -10.9191 -10.8963 -10.8951 -2.0517 -2.0501 -1.4528 -1.4518 -0.7647 -0.7633 0.1652 0.1669 0.7655 0.7670 0.9604 0.9611 1.2606 1.2624 1.6155 1.6173 2.2844 2.2885 2.3139 2.3152 3.0446 3.0449 3.1512 3.1534 3.5309 3.5332 3.9160 3.9203 4.3690 4.3733 4.5301 4.5363 5.0802 5.0846 5.1288 5.1358 5.3893 5.3925 5.5527 5.5590 6.1233 6.1273 6.2111 6.2185 6.9524 6.9539 7.1737 7.1744 13.7079 13.7107 13.7495 13.7514 14.7174 14.7201 15.1212 15.1267 16.1402 16.1474 16.3623 16.3628 k = 0.5000 0.1658 0.3027 ( 4130 PWs) bands (ev): -13.1129 -13.1126 -13.0156 -13.0151 -11.8624 -11.8622 -11.8419 -11.8416 -11.3431 -11.3426 -11.2070 -11.2058 -10.9009 -10.9004 -10.8821 -10.8809 -2.0255 -2.0239 -1.4266 -1.4256 -0.7939 -0.7926 0.1082 0.1099 0.7890 0.7904 0.9726 0.9732 1.2658 1.2675 1.6134 1.6151 2.2958 2.2998 2.3293 2.3306 3.0352 3.0356 3.1408 3.1431 3.5446 3.5468 3.9007 3.9052 4.3551 4.3590 4.5283 4.5344 5.0529 5.0574 5.1203 5.1287 5.3598 5.3641 5.5472 5.5530 6.1307 6.1348 6.2115 6.2188 6.9594 6.9608 7.1668 7.1674 13.7211 13.7237 13.7682 13.7700 14.7244 14.7274 15.1237 15.1288 16.1661 16.1733 16.3875 16.3877 k = 0.5000 0.1530 0.3027 ( 4128 PWs) bands (ev): -13.1230 -13.1228 -13.0343 -13.0339 -11.8670 -11.8669 -11.8481 -11.8478 -11.3284 -11.3278 -11.2017 -11.2005 -10.8830 -10.8826 -10.8681 -10.8668 -1.9977 -1.9962 -1.4017 -1.4006 -0.8227 -0.8214 0.0490 0.0507 0.8147 0.8160 0.9874 0.9881 1.2698 1.2714 1.6073 1.6089 2.3102 2.3140 2.3450 2.3462 3.0261 3.0267 3.1262 3.1285 3.5631 3.5651 3.8863 3.8910 4.3420 4.3455 4.5253 4.5313 5.0265 5.0311 5.1072 5.1168 5.3353 5.3407 5.5397 5.5451 6.1383 6.1426 6.2123 6.2195 6.9666 6.9680 7.1597 7.1603 13.7339 13.7364 13.7850 13.7867 14.7345 14.7378 15.1241 15.1288 16.1954 16.2025 16.4129 16.4131 k = 0.5000 0.1403 0.3027 ( 4130 PWs) bands (ev): -13.1323 -13.1320 -13.0519 -13.0515 -11.8713 -11.8712 -11.8540 -11.8537 -11.3145 -11.3139 -11.1975 -11.1962 -10.8660 -10.8657 -10.8544 -10.8531 -1.9684 -1.9669 -1.3789 -1.3779 -0.8496 -0.8484 -0.0117 -0.0099 0.8420 0.8432 1.0048 1.0055 1.2722 1.2737 1.5973 1.5988 2.3272 2.3308 2.3610 2.3621 3.0170 3.0177 3.1082 3.1103 3.5854 3.5872 3.8731 3.8780 4.3299 4.3330 4.5209 4.5268 5.0015 5.0061 5.0890 5.0993 5.3173 5.3232 5.5305 5.5354 6.1460 6.1504 6.2133 6.2203 6.9741 6.9754 7.1525 7.1529 13.7464 13.7487 13.7999 13.8014 14.7476 14.7510 15.1227 15.1269 16.2276 16.2347 16.4381 16.4387 k = 0.5000 0.1275 0.3027 ( 4130 PWs) bands (ev): -13.1406 -13.1404 -13.0683 -13.0679 -11.8753 -11.8751 -11.8596 -11.8593 -11.3014 -11.3007 -11.1944 -11.1931 -10.8501 -10.8499 -10.8413 -10.8400 -1.9374 -1.9361 -1.3600 -1.3589 -0.8728 -0.8717 -0.0733 -0.0715 0.8704 0.8715 1.0247 1.0254 1.2728 1.2741 1.5836 1.5850 2.3465 2.3499 2.3772 2.3782 3.0077 3.0086 3.0877 3.0896 3.6105 3.6118 3.8614 3.8665 4.3192 4.3217 4.5149 4.5208 4.9780 4.9826 5.0662 5.0765 5.3060 5.3118 5.5198 5.5242 6.1537 6.1581 6.2144 6.2213 6.9817 6.9830 7.1451 7.1455 13.7583 13.7606 13.8126 13.8140 14.7634 14.7670 15.1194 15.1231 16.2623 16.2694 16.4632 16.4641 k = 0.5000 0.1148 0.3027 ( 4122 PWs) bands (ev): -13.1480 -13.1477 -13.0835 -13.0831 -11.8788 -11.8787 -11.8647 -11.8645 -11.2891 -11.2883 -11.1923 -11.1910 -10.8354 -10.8354 -10.8288 -10.8276 -1.9050 -1.9037 -1.3468 -1.3458 -0.8901 -0.8890 -0.1353 -0.1336 0.8995 0.9005 1.0468 1.0475 1.2714 1.2726 1.5666 1.5678 2.3675 2.3706 2.3937 2.3946 2.9979 2.9989 3.0655 3.0671 3.6373 3.6381 3.8512 3.8566 4.3100 4.3119 4.5072 4.5131 4.9562 4.9608 5.0401 5.0500 5.3005 5.3058 5.5077 5.5117 6.1612 6.1657 6.2155 6.2222 6.9895 6.9908 7.1375 7.1378 13.7698 13.7719 13.8232 13.8245 14.7817 14.7854 15.1144 15.1175 16.2989 16.3059 16.4876 16.4889 k = 0.5000 0.1020 0.3027 ( 4124 PWs) bands (ev): -13.1544 -13.1541 -13.0975 -13.0971 -11.8819 -11.8818 -11.8695 -11.8692 -11.2776 -11.2767 -11.1912 -11.1899 -10.8221 -10.8221 -10.8173 -10.8160 -1.8710 -1.8698 -1.3414 -1.3404 -0.8992 -0.8981 -0.1975 -0.1957 0.9290 0.9299 1.0709 1.0716 1.2679 1.2689 1.5465 1.5475 2.3896 2.3924 2.4104 2.4113 2.9876 2.9887 3.0423 3.0436 3.6647 3.6649 3.8428 3.8483 4.3029 4.3041 4.4975 4.5035 4.9364 4.9410 5.0124 5.0216 5.2998 5.3044 5.4944 5.4980 6.1684 6.1730 6.2164 6.2230 6.9975 6.9987 7.1298 7.1300 13.7807 13.7826 13.8318 13.8330 14.8021 14.8059 15.1076 15.1102 16.3368 16.3437 16.5111 16.5126 k = 0.5000 0.0893 0.3027 ( 4120 PWs) bands (ev): -13.1596 -13.1594 -13.1103 -13.1099 -11.8846 -11.8846 -11.8738 -11.8736 -11.2668 -11.2659 -11.1910 -11.1897 -10.8102 -10.8101 -10.8067 -10.8055 -1.8357 -1.8346 -1.3452 -1.3444 -0.8981 -0.8970 -0.2593 -0.2576 0.9587 0.9594 1.0968 1.0975 1.2621 1.2630 1.5237 1.5246 2.4121 2.4146 2.4274 2.4281 2.9766 2.9777 3.0191 3.0200 3.6914 3.6918 3.8360 3.8417 4.2982 4.2986 4.4857 4.4918 4.9188 4.9233 4.9847 4.9931 5.3026 5.3064 5.4803 5.4835 6.1752 6.1800 6.2171 6.2235 7.0056 7.0067 7.1220 7.1221 13.7909 13.7927 13.8385 13.8396 14.8242 14.8280 15.0992 15.1011 16.3754 16.3822 16.5332 16.5348 k = 0.5000 0.0765 0.3027 ( 4126 PWs) bands (ev): -13.1639 -13.1636 -13.1218 -13.1214 -11.8869 -11.8869 -11.8777 -11.8775 -11.2568 -11.2558 -11.1916 -11.1903 -10.7998 -10.7995 -10.7973 -10.7961 -1.7989 -1.7980 -1.3587 -1.3580 -0.8864 -0.8852 -0.3206 -0.3189 0.9882 0.9888 1.1240 1.1248 1.2543 1.2549 1.4985 1.4993 2.4342 2.4362 2.4443 2.4447 2.9651 2.9663 2.9964 2.9970 3.7166 3.7178 3.8307 3.8365 4.2960 4.2964 4.4716 4.4777 4.9035 4.9079 4.9583 4.9660 5.3082 5.3113 5.4655 5.4683 6.1817 6.1865 6.2174 6.2237 7.0138 7.0148 7.1141 7.1141 13.8004 13.8021 13.8433 13.8443 14.8476 14.8513 15.0890 15.0903 16.4139 16.4205 16.5534 16.5550 k = 0.5000 0.0638 0.3027 ( 4124 PWs) bands (ev): -13.1670 -13.1666 -13.1321 -13.1317 -11.8887 -11.8887 -11.8811 -11.8809 -11.2475 -11.2464 -11.1931 -11.1917 -10.7908 -10.7905 -10.7891 -10.7880 -1.7610 -1.7601 -1.3807 -1.3801 -0.8648 -0.8635 -0.3811 -0.3794 1.0173 1.0178 1.1518 1.1528 1.2448 1.2451 1.4714 1.4721 2.4550 2.4562 2.4610 2.4612 2.9535 2.9545 2.9752 2.9753 3.7397 3.7417 3.8267 3.8326 4.2966 4.2979 4.4552 4.4615 4.8906 4.8950 4.9344 4.9414 5.3159 5.3183 5.4503 5.4527 6.1876 6.1926 6.2174 6.2235 7.0220 7.0231 7.1059 7.1060 13.8092 13.8108 13.8464 13.8474 14.8718 14.8754 15.0771 15.0778 16.4515 16.4580 16.5711 16.5725 k = 0.5000 0.0510 0.3027 ( 4122 PWs) bands (ev): -13.1689 -13.1686 -13.1412 -13.1408 -11.8901 -11.8901 -11.8841 -11.8839 -11.2389 -11.2377 -11.1953 -11.1939 -10.7834 -10.7830 -10.7823 -10.7813 -1.7220 -1.7213 -1.4094 -1.4091 -0.8349 -0.8336 -0.4405 -0.4388 1.0458 1.0461 1.1781 1.1795 1.2352 1.2356 1.4427 1.4432 2.4733 2.4734 2.4766 2.4777 2.9421 2.9431 2.9559 2.9563 3.7601 3.7628 3.8236 3.8296 4.3009 4.3031 4.4368 4.4431 4.8803 4.8847 4.9137 4.9201 5.3254 5.3271 5.4349 5.4370 6.1931 6.1981 6.2168 6.2228 7.0304 7.0313 7.0977 7.0979 13.8173 13.8188 13.8479 13.8489 14.8963 14.8997 15.0635 15.0636 16.4873 16.4935 16.5857 16.5866 k = 0.5000 0.0383 0.3027 ( 4124 PWs) bands (ev): -13.1697 -13.1694 -13.1489 -13.1486 -11.8911 -11.8910 -11.8865 -11.8864 -11.2310 -11.2298 -11.1982 -11.1969 -10.7777 -10.7771 -10.7769 -10.7760 -1.6821 -1.6815 -1.4431 -1.4429 -0.7984 -0.7970 -0.4985 -0.4968 1.0734 1.0736 1.1932 1.1950 1.2351 1.2362 1.4127 1.4131 2.4878 2.4882 2.4909 2.4923 2.9318 2.9326 2.9396 2.9405 3.7773 3.7808 3.8210 3.8269 4.3090 4.3122 4.4168 4.4230 4.8728 4.8772 4.8967 4.9025 5.3363 5.3374 5.4195 5.4212 6.1980 6.2032 6.2158 6.2217 7.0388 7.0397 7.0894 7.0897 13.8245 13.8259 13.8480 13.8490 14.9207 14.9239 15.0477 15.0482 16.5202 16.5260 16.5962 16.5963 k = 0.5000 0.0255 0.3027 ( 4122 PWs) bands (ev): -13.1693 -13.1689 -13.1555 -13.1551 -11.8915 -11.8915 -11.8885 -11.8884 -11.2238 -11.2226 -11.2019 -11.2006 -10.7735 -10.7731 -10.7729 -10.7722 -1.6415 -1.6410 -1.4801 -1.4800 -0.7566 -0.7551 -0.5548 -0.5532 1.0998 1.0999 1.1857 1.1869 1.2571 1.2578 1.3817 1.3821 2.4992 2.4996 2.5021 2.5032 2.9233 2.9240 2.9273 2.9285 3.7910 3.7953 3.8181 3.8240 4.3210 4.3251 4.3958 4.4019 4.8683 4.8727 4.8836 4.8889 5.3484 5.3490 5.4043 5.4056 6.2024 6.2077 6.2143 6.2200 7.0473 7.0480 7.0810 7.0814 13.8309 13.8322 13.8468 13.8478 14.9447 14.9476 15.0300 15.0311 16.5489 16.5542 16.6005 16.6015 k = 0.5000 0.0128 0.3027 ( 4126 PWs) bands (ev): -13.1677 -13.1673 -13.1608 -13.1604 -11.8915 -11.8914 -11.8900 -11.8899 -11.2173 -11.2160 -11.2063 -11.2051 -10.7709 -10.7708 -10.7702 -10.7699 -1.6006 -1.6002 -1.5192 -1.5191 -0.7106 -0.7091 -0.6092 -0.6076 1.1247 1.1249 1.1685 1.1693 1.2869 1.2873 1.3501 1.3505 2.5072 2.5072 2.5088 2.5095 2.9179 2.9187 2.9195 2.9207 3.8015 3.8063 3.8144 3.8200 4.3364 4.3412 4.3748 4.3806 4.8669 4.8714 4.8743 4.8793 5.3616 5.3617 5.3895 5.3903 6.2062 6.2116 6.2121 6.2177 7.0557 7.0564 7.0726 7.0731 13.8364 13.8376 13.8444 13.8455 14.9679 14.9704 15.0108 15.0123 16.5722 16.5766 16.5983 16.6005 k = 0.5000-0.0000 0.3027 ( 4120 PWs) bands (ev): -13.1648 -13.1648 -13.1645 -13.1645 -11.8910 -11.8910 -11.8909 -11.8909 -11.2115 -11.2115 -11.2102 -11.2102 -10.7700 -10.7700 -10.7693 -10.7693 -1.5596 -1.5596 -1.5594 -1.5594 -0.6613 -0.6613 -0.6598 -0.6598 1.1477 1.1477 1.1482 1.1482 1.3183 1.3183 1.3187 1.3187 2.5105 2.5105 2.5108 2.5108 2.9164 2.9164 2.9175 2.9175 3.8091 3.8091 3.8144 3.8144 4.3547 4.3547 4.3600 4.3600 4.8688 4.8688 4.8735 4.8735 5.3752 5.3752 5.3756 5.3756 6.2095 6.2095 6.2150 6.2150 7.0642 7.0642 7.0648 7.0648 13.8409 13.8409 13.8420 13.8420 14.9900 14.9900 14.9921 14.9921 16.5889 16.5889 16.5923 16.5923 k = 0.5000-0.0000 0.3027 ( 4120 PWs) bands (ev): -13.1648 -13.1648 -13.1645 -13.1645 -11.8910 -11.8910 -11.8909 -11.8909 -11.2115 -11.2115 -11.2102 -11.2102 -10.7700 -10.7700 -10.7693 -10.7693 -1.5596 -1.5596 -1.5594 -1.5594 -0.6613 -0.6613 -0.6598 -0.6598 1.1477 1.1477 1.1482 1.1482 1.3183 1.3183 1.3187 1.3187 2.5105 2.5105 2.5108 2.5108 2.9164 2.9164 2.9175 2.9175 3.8091 3.8091 3.8144 3.8144 4.3547 4.3547 4.3600 4.3600 4.8688 4.8688 4.8735 4.8735 5.3752 5.3752 5.3756 5.3756 6.2095 6.2095 6.2150 6.2150 7.0642 7.0642 7.0648 7.0648 13.8409 13.8409 13.8420 13.8420 14.9900 14.9900 14.9921 14.9921 16.5889 16.5889 16.5923 16.5923 k = 0.5000-0.0000 0.2901 ( 4126 PWs) bands (ev): -13.1800 -13.1796 -13.1497 -13.1493 -11.8991 -11.8990 -11.8819 -11.8818 -11.2188 -11.2175 -11.2054 -11.2042 -10.7764 -10.7756 -10.7634 -10.7627 -1.5656 -1.5654 -1.5544 -1.5542 -0.6666 -0.6649 -0.6541 -0.6527 1.1352 1.1357 1.1582 1.1587 1.2909 1.2910 1.3447 1.3452 2.5005 2.5008 2.5218 2.5221 2.9064 2.9074 2.9296 2.9307 3.8070 3.8104 3.8124 3.8155 4.3421 4.3475 4.3660 4.3714 4.8679 4.8704 4.8726 4.8751 5.3612 5.3615 5.3888 5.3892 6.1965 6.2019 6.2216 6.2271 7.0456 7.0462 7.0834 7.0839 13.8378 13.8388 13.8393 13.8405 14.9704 14.9724 15.0110 15.0131 16.5747 16.5767 16.5971 16.6017 k = 0.5000-0.0000 0.2775 ( 4136 PWs) bands (ev): -13.1950 -13.1946 -13.1346 -13.1342 -11.9062 -11.9060 -11.8720 -11.8719 -11.2275 -11.2261 -11.2006 -11.1995 -10.7824 -10.7816 -10.7565 -10.7559 -1.5722 -1.5721 -1.5501 -1.5498 -0.6697 -0.6679 -0.6451 -0.6438 1.1212 1.1217 1.1656 1.1659 1.2632 1.2635 1.3694 1.3702 2.4918 2.4921 2.5347 2.5350 2.8997 2.9007 2.9456 2.9467 3.8042 3.8097 3.8108 3.8158 4.3288 4.3341 4.3758 4.3812 4.8672 4.8719 4.8729 4.8776 5.3466 5.3470 5.4018 5.4023 6.1827 6.1881 6.2328 6.2384 7.0276 7.0283 7.1030 7.1034 13.8300 13.8309 13.8328 13.8341 14.9523 14.9543 15.0330 15.0350 16.5567 16.5576 16.5972 16.6026 k = 0.5000-0.0000 0.2649 ( 4138 PWs) bands (ev): -13.2098 -13.2095 -13.1196 -13.1192 -11.9121 -11.9119 -11.8612 -11.8611 -11.2376 -11.2361 -11.1971 -11.1961 -10.7881 -10.7872 -10.7495 -10.7489 -1.5794 -1.5793 -1.5467 -1.5464 -0.6707 -0.6688 -0.6344 -0.6333 1.1061 1.1065 1.1671 1.1671 1.2385 1.2393 1.3922 1.3932 2.4840 2.4843 2.5492 2.5496 2.8965 2.8975 2.9643 2.9654 3.8006 3.8062 3.8103 3.8152 4.3150 4.3202 4.3838 4.3891 4.8668 4.8713 4.8766 4.8812 5.3317 5.3321 5.4143 5.4148 6.1683 6.1737 6.2431 6.2487 7.0105 7.0113 7.1229 7.1233 13.8178 13.8187 13.8217 13.8231 14.9361 14.9380 15.0555 15.0574 16.5368 16.5368 16.5886 16.5939 k = 0.5000-0.0000 0.2523 ( 4138 PWs) bands (ev): -13.2244 -13.2241 -13.1048 -13.1044 -11.9168 -11.9166 -11.8497 -11.8497 -11.2489 -11.2474 -11.1948 -11.1938 -10.7934 -10.7925 -10.7424 -10.7418 -1.5870 -1.5870 -1.5443 -1.5439 -0.6694 -0.6673 -0.6224 -0.6214 1.0901 1.0905 1.1564 1.1567 1.2229 1.2241 1.4130 1.4141 2.4770 2.4774 2.5655 2.5658 2.8971 2.8980 2.9852 2.9863 3.7965 3.8021 3.8089 3.8137 4.3010 4.3061 4.3896 4.3948 4.8662 4.8706 4.8817 4.8864 5.3164 5.3169 5.4261 5.4268 6.1532 6.1585 6.2524 6.2580 6.9943 6.9952 7.1430 7.1433 13.8017 13.8025 13.8064 13.8078 14.9215 14.9234 15.0777 15.0796 16.5154 16.5162 16.5732 16.5779 k = 0.5000-0.0000 0.2397 ( 4144 PWs) bands (ev): -13.2387 -13.2384 -13.0903 -13.0899 -11.9203 -11.9201 -11.8376 -11.8376 -11.2616 -11.2601 -11.1936 -11.1927 -10.7983 -10.7974 -10.7353 -10.7347 -1.5950 -1.5949 -1.5428 -1.5424 -0.6658 -0.6636 -0.6091 -0.6083 1.0734 1.0737 1.1324 1.1327 1.2183 1.2196 1.4316 1.4328 2.4705 2.4709 2.5834 2.5837 2.9014 2.9023 3.0080 3.0092 3.7919 3.7975 3.8067 3.8113 4.2870 4.2921 4.3928 4.3979 4.8653 4.8695 4.8885 4.8931 5.3007 5.3013 5.4374 5.4381 6.1376 6.1429 6.2608 6.2663 6.9791 6.9801 7.1631 7.1634 13.7821 13.7828 13.7873 13.7888 14.9086 14.9103 15.0991 15.1009 16.4941 16.4954 16.5540 16.5578 k = 0.5000-0.0000 0.2270 ( 4146 PWs) bands (ev): -13.2526 -13.2523 -13.0761 -13.0758 -11.9225 -11.9222 -11.8249 -11.8249 -11.2755 -11.2739 -11.1934 -11.1926 -10.8027 -10.8018 -10.7282 -10.7277 -1.6031 -1.6030 -1.5423 -1.5419 -0.6599 -0.6577 -0.5950 -0.5943 1.0563 1.0566 1.1012 1.1012 1.2190 1.2202 1.4481 1.4494 2.4644 2.4649 2.6029 2.6032 2.9093 2.9102 3.0324 3.0337 3.7868 3.7924 3.8036 3.8080 4.2734 4.2783 4.3933 4.3983 4.8639 4.8679 4.8971 4.9017 5.2848 5.2855 5.4480 5.4488 6.1217 6.1269 6.2681 6.2737 6.9650 6.9660 7.1831 7.1833 13.7595 13.7603 13.7650 13.7664 14.8970 14.8986 15.1191 15.1207 16.4734 16.4751 16.5341 16.5370 k = 0.5000-0.0000 0.2144 ( 4148 PWs) bands (ev): -13.2660 -13.2657 -13.0624 -13.0621 -11.9233 -11.9230 -11.8119 -11.8118 -11.2906 -11.2890 -11.1942 -11.1935 -10.8068 -10.8059 -10.7211 -10.7207 -1.6112 -1.6112 -1.5427 -1.5423 -0.6519 -0.6497 -0.5801 -0.5795 1.0391 1.0392 1.0665 1.0667 1.2209 1.2220 1.4625 1.4638 2.4584 2.4590 2.6240 2.6242 2.9208 2.9216 3.0581 3.0594 3.7815 3.7871 3.7998 3.8040 4.2602 4.2650 4.3910 4.3959 4.8620 4.8657 4.9076 4.9120 5.2687 5.2695 5.4579 5.4588 6.1054 6.1106 6.2746 6.2801 6.9521 6.9531 7.2028 7.2030 13.7346 13.7354 13.7401 13.7415 14.8865 14.8881 15.1369 15.1384 16.4534 16.4554 16.5157 16.5178 k = 0.5000-0.0000 0.2018 ( 4146 PWs) bands (ev): -13.2790 -13.2787 -13.0492 -13.0489 -11.9228 -11.9224 -11.7984 -11.7984 -11.3068 -11.3052 -11.1959 -11.1953 -10.8104 -10.8095 -10.7143 -10.7139 -1.6194 -1.6193 -1.5439 -1.5435 -0.6419 -0.6396 -0.5647 -0.5642 1.0217 1.0217 1.0305 1.0309 1.2226 1.2236 1.4748 1.4762 2.4526 2.4533 2.6463 2.6465 2.9356 2.9364 3.0846 3.0859 3.7760 3.7815 3.7952 3.7993 4.2478 4.2525 4.3858 4.3905 4.8594 4.8628 4.9198 4.9242 5.2524 5.2534 5.4671 5.4681 6.0889 6.0940 6.2802 6.2856 6.9402 6.9413 7.2221 7.2223 13.7079 13.7087 13.7133 13.7146 14.8769 14.8784 15.1522 15.1535 16.4345 16.4366 16.5001 16.5016 k = 0.5000-0.0000 0.1892 ( 4136 PWs) bands (ev): -13.2914 -13.2911 -13.0366 -13.0363 -11.9208 -11.9204 -11.7848 -11.7847 -11.3240 -11.3224 -11.1985 -11.1979 -10.8137 -10.8128 -10.7076 -10.7073 -1.6274 -1.6273 -1.5459 -1.5455 -0.6300 -0.6277 -0.5490 -0.5487 0.9935 0.9939 1.0049 1.0050 1.2238 1.2248 1.4853 1.4867 2.4468 2.4476 2.6698 2.6699 2.9535 2.9542 3.1115 3.1129 3.7705 3.7760 3.7900 3.7940 4.2362 4.2408 4.3778 4.3823 4.8561 4.8592 4.9337 4.9380 5.2361 5.2372 5.4756 5.4766 6.0724 6.0775 6.2849 6.2902 6.9296 6.9307 7.2410 7.2411 13.6799 13.6807 13.6851 13.6863 14.8679 14.8693 15.1646 15.1656 16.4166 16.4189 16.4883 16.4891 k = 0.5000-0.0000 0.1766 ( 4140 PWs) bands (ev): -13.3032 -13.3030 -13.0246 -13.0243 -11.9174 -11.9170 -11.7710 -11.7709 -11.3421 -11.3405 -11.2017 -11.2012 -10.8165 -10.8157 -10.7012 -10.7010 -1.6352 -1.6351 -1.5485 -1.5481 -0.6165 -0.6142 -0.5332 -0.5330 0.9566 0.9571 0.9882 0.9882 1.2243 1.2252 1.4939 1.4953 2.4411 2.4419 2.6942 2.6942 2.9740 2.9747 3.1385 3.1400 3.7651 3.7705 3.7844 3.7882 4.2256 4.2300 4.3671 4.3714 4.8521 4.8548 4.9491 4.9533 5.2197 5.2209 5.4833 5.4844 6.0559 6.0609 6.2889 6.2941 6.9200 6.9212 7.2592 7.2593 13.6513 13.6521 13.6562 13.6573 14.8594 14.8607 15.1738 15.1747 16.3999 16.4022 16.4804 16.4808 k = 0.5000-0.0000 0.1640 ( 4138 PWs) bands (ev): -13.3144 -13.3142 -13.0133 -13.0130 -11.9126 -11.9122 -11.7572 -11.7571 -11.3609 -11.3594 -11.2056 -11.2052 -10.8191 -10.8183 -10.6952 -10.6949 -1.6427 -1.6426 -1.5515 -1.5512 -0.6016 -0.5993 -0.5177 -0.5176 0.9198 0.9206 0.9721 0.9721 1.2242 1.2251 1.5010 1.5023 2.4354 2.4362 2.7191 2.7192 2.9967 2.9974 3.1651 3.1667 3.7600 3.7652 3.7783 3.7820 4.2161 4.2203 4.3540 4.3580 4.8474 4.8497 4.9656 4.9697 5.2033 5.2048 5.4902 5.4914 6.0397 6.0446 6.2922 6.2973 6.9116 6.9127 7.2767 7.2768 13.6224 13.6233 13.6272 13.6282 14.8512 14.8524 15.1800 15.1808 16.3843 16.3865 16.4766 16.4766 k = 0.5000-0.0000 0.1514 ( 4142 PWs) bands (ev): -13.3249 -13.3247 -13.0028 -13.0025 -11.9065 -11.9060 -11.7435 -11.7434 -11.3805 -11.3789 -11.2100 -11.2096 -10.8213 -10.8206 -10.6894 -10.6892 -1.6498 -1.6497 -1.5550 -1.5546 -0.5856 -0.5833 -0.5024 -0.5024 0.8837 0.8845 0.9566 0.9568 1.2236 1.2243 1.5066 1.5079 2.4298 2.4306 2.7444 2.7446 3.0213 3.0219 3.1909 3.1925 3.7553 3.7603 3.7721 3.7756 4.2078 4.2118 4.3386 4.3424 4.8421 4.8441 4.9830 4.9870 5.1871 5.1887 5.4964 5.4976 6.0238 6.0285 6.2950 6.2998 6.9042 6.9053 7.2933 7.2933 13.5938 13.5948 13.5985 13.5993 14.8432 14.8444 15.1833 15.1839 16.3698 16.3720 16.4762 16.4765 k = 0.5000-0.0000 0.1388 ( 4146 PWs) bands (ev): -13.3347 -13.3345 -12.9930 -12.9928 -11.8991 -11.8985 -11.7300 -11.7299 -11.4005 -11.3990 -11.2148 -11.2145 -10.8233 -10.8226 -10.6840 -10.6838 -1.6565 -1.6564 -1.5586 -1.5583 -0.5687 -0.5666 -0.4878 -0.4877 0.8485 0.8494 0.9421 0.9423 1.2225 1.2231 1.5109 1.5121 2.4243 2.4251 2.7697 2.7700 3.0470 3.0476 3.2155 3.2172 3.7511 3.7560 3.7658 3.7691 4.2007 4.2045 4.3214 4.3250 4.8363 4.8378 5.0010 5.0048 5.1712 5.1730 5.5017 5.5029 6.0084 6.0130 6.2973 6.3018 6.8978 6.8989 7.3089 7.3090 13.5660 13.5669 13.5706 13.5713 14.8355 14.8366 15.1840 15.1844 16.3565 16.3586 16.4792 16.4798 k = 0.5000-0.0000 0.1261 ( 4152 PWs) bands (ev): -13.3437 -13.3436 -12.9841 -12.9838 -11.8904 -11.8898 -11.7169 -11.7168 -11.4208 -11.4194 -11.2199 -11.2197 -10.8250 -10.8243 -10.6791 -10.6789 -1.6627 -1.6626 -1.5624 -1.5622 -0.5514 -0.5493 -0.4738 -0.4737 0.8145 0.8154 0.9285 0.9288 1.2210 1.2216 1.5141 1.5153 2.4190 2.4198 2.7947 2.7950 3.0735 3.0741 3.2386 3.2403 3.7476 3.7522 3.7596 3.7628 4.1949 4.1985 4.3026 4.3060 4.8301 4.8313 5.0192 5.0228 5.1557 5.1576 5.5062 5.5075 5.9936 5.9980 6.2991 6.3034 6.8923 6.8933 7.3235 7.3236 13.5393 13.5402 13.5438 13.5444 14.8281 14.8290 15.1825 15.1828 16.3443 16.3463 16.4851 16.4859 k = 0.5000-0.0000 0.1135 ( 4146 PWs) bands (ev): -13.3520 -13.3518 -12.9760 -12.9757 -11.8807 -11.8801 -11.7043 -11.7042 -11.4413 -11.4399 -11.2253 -11.2250 -10.8264 -10.8258 -10.6745 -10.6744 -1.6685 -1.6684 -1.5662 -1.5660 -0.5340 -0.5320 -0.4608 -0.4606 0.7822 0.7831 0.9161 0.9163 1.2193 1.2198 1.5164 1.5175 2.4139 2.4147 2.8191 2.8195 3.1001 3.1006 3.2597 3.2615 3.7448 3.7492 3.7538 3.7568 4.1903 4.1936 4.2828 4.2860 4.8237 4.8245 5.0374 5.0407 5.1408 5.1428 5.5099 5.5112 5.9797 5.9838 6.3007 6.3046 6.8876 6.8886 7.3370 7.3371 13.5141 13.5150 13.5186 13.5192 14.8209 14.8218 15.1792 15.1794 16.3333 16.3351 16.4931 16.4941 k = 0.5000-0.0000 0.1009 ( 4152 PWs) bands (ev): -13.3595 -13.3593 -12.9687 -12.9685 -11.8700 -11.8694 -11.6923 -11.6922 -11.4617 -11.4603 -11.2306 -11.2304 -10.8277 -10.8271 -10.6704 -10.6703 -1.6737 -1.6736 -1.5699 -1.5697 -0.5168 -0.5149 -0.4487 -0.4485 0.7518 0.7527 0.9047 0.9050 1.2174 1.2179 1.5179 1.5189 2.4092 2.4100 2.8425 2.8429 3.1262 3.1267 3.2787 3.2804 3.7428 3.7468 3.7484 3.7514 4.1869 4.1899 4.2623 4.2652 4.8172 4.8176 5.0551 5.0581 5.1267 5.1286 5.5129 5.5141 5.9667 5.9706 6.3019 6.3055 6.8836 6.8846 7.3493 7.3493 13.4907 13.4915 13.4953 13.4958 14.8141 14.8149 15.1748 15.1749 16.3234 16.3251 16.5027 16.5038 k = 0.5000-0.0000 0.0883 ( 4146 PWs) bands (ev): -13.3661 -13.3660 -12.9623 -12.9621 -11.8586 -11.8580 -11.6812 -11.6811 -11.4817 -11.4804 -11.2359 -11.2358 -10.8287 -10.8282 -10.6667 -10.6666 -1.6783 -1.6782 -1.5734 -1.5732 -0.5002 -0.4985 -0.4377 -0.4375 0.7237 0.7245 0.8947 0.8949 1.2156 1.2160 1.5189 1.5198 2.4049 2.4056 2.8645 2.8649 3.1512 3.1517 3.2953 3.2970 3.7412 3.7442 3.7443 3.7476 4.1847 4.1873 4.2416 4.2444 4.8107 4.8109 5.0719 5.0746 5.1135 5.1155 5.5151 5.5162 5.9548 5.9584 6.3030 6.3062 6.8804 6.8812 7.3603 7.3604 13.4695 13.4702 13.4741 13.4746 14.8078 14.8085 15.1696 15.1697 16.3147 16.3162 16.5130 16.5141 k = 0.5000-0.0000 0.0757 ( 4140 PWs) bands (ev): -13.3719 -13.3718 -12.9568 -12.9566 -11.8468 -11.8462 -11.6710 -11.6709 -11.5010 -11.4998 -11.2409 -11.2408 -10.8296 -10.8292 -10.6635 -10.6635 -1.6823 -1.6822 -1.5765 -1.5764 -0.4847 -0.4832 -0.4280 -0.4277 0.6982 0.6991 0.8859 0.8861 1.2138 1.2142 1.5194 1.5202 2.4010 2.4016 2.8847 2.8851 3.1745 3.1750 3.3094 3.3110 3.7382 3.7404 3.7431 3.7465 4.1834 4.1856 4.2215 4.2241 4.8046 4.8046 5.0876 5.0897 5.1015 5.1037 5.5167 5.5177 5.9443 5.9474 6.3039 6.3067 6.8777 6.8785 7.3700 7.3700 13.4506 13.4512 13.4553 13.4557 14.8021 14.8027 15.1641 15.1642 16.3072 16.3085 16.5235 16.5246 k = 0.5000-0.0000 0.0631 ( 4148 PWs) bands (ev): -13.3769 -13.3768 -12.9521 -12.9519 -11.8350 -11.8344 -11.6620 -11.6620 -11.5193 -11.5182 -11.2455 -11.2455 -10.8303 -10.8299 -10.6608 -10.6608 -1.6858 -1.6857 -1.5793 -1.5792 -0.4706 -0.4693 -0.4196 -0.4193 0.6759 0.6766 0.8784 0.8786 1.2122 1.2124 1.5196 1.5203 2.3976 2.3981 2.9027 2.9032 3.1954 3.1959 3.3211 3.3224 3.7348 3.7367 3.7437 3.7468 4.1829 4.1845 4.2025 4.2050 4.7988 4.7989 5.0908 5.0920 5.1018 5.1044 5.5176 5.5185 5.9351 5.9378 6.3046 6.3070 6.8756 6.8762 7.3783 7.3783 13.4342 13.4347 13.4391 13.4394 14.7971 14.7975 15.1588 15.1588 16.3008 16.3019 16.5334 16.5346 k = 0.5000-0.0000 0.0505 ( 4150 PWs) bands (ev): -13.3809 -13.3809 -12.9483 -12.9482 -11.8236 -11.8231 -11.6544 -11.6543 -11.5358 -11.5349 -11.2496 -11.2495 -10.8308 -10.8305 -10.6586 -10.6586 -1.6886 -1.6885 -1.5817 -1.5816 -0.4584 -0.4573 -0.4126 -0.4124 0.6570 0.6576 0.8722 0.8724 1.2107 1.2110 1.5196 1.5201 2.3947 2.3952 2.9182 2.9186 3.2135 3.2139 3.3303 3.3314 3.7320 3.7335 3.7452 3.7478 4.1827 4.1828 4.1856 4.1891 4.7937 4.7940 5.0818 5.0831 5.1140 5.1159 5.5182 5.5189 5.9274 5.9297 6.3052 6.3072 6.8739 6.8745 7.3851 7.3851 13.4206 13.4210 13.4256 13.4259 14.7928 14.7932 15.1539 15.1540 16.2956 16.2965 16.5425 16.5434 k = 0.5000-0.0000 0.0378 ( 4146 PWs) bands (ev): -13.3841 -13.3840 -12.9453 -12.9452 -11.8134 -11.8129 -11.6482 -11.6482 -11.5501 -11.5493 -11.2529 -11.2529 -10.8312 -10.8310 -10.6569 -10.6568 -1.6908 -1.6907 -1.5836 -1.5835 -0.4484 -0.4476 -0.4070 -0.4069 0.6419 0.6424 0.8675 0.8676 1.2096 1.2097 1.5195 1.5199 2.3925 2.3929 2.9307 2.9310 3.2281 3.2284 3.3372 3.3381 3.7299 3.7311 3.7471 3.7491 4.1709 4.1718 4.1835 4.1853 4.7896 4.7899 5.0747 5.0757 5.1240 5.1254 5.5184 5.5190 5.9215 5.9232 6.3058 6.3073 6.8727 6.8731 7.3905 7.3905 13.4099 13.4102 13.4150 13.4152 14.7894 14.7897 15.1499 15.1499 16.2915 16.2922 16.5500 16.5508 k = 0.5000-0.0000 0.0252 ( 4148 PWs) bands (ev): -13.3864 -13.3863 -12.9432 -12.9431 -11.8051 -11.8047 -11.6437 -11.6437 -11.5611 -11.5606 -11.2554 -11.2554 -10.8315 -10.8313 -10.6556 -10.6556 -1.6924 -1.6923 -1.5850 -1.5849 -0.4410 -0.4404 -0.4030 -0.4029 0.6309 0.6312 0.8640 0.8641 1.2087 1.2088 1.5194 1.5197 2.3909 2.3911 2.9399 2.9402 3.2389 3.2391 3.3420 3.3426 3.7285 3.7292 3.7489 3.7503 4.1600 4.1608 4.1840 4.1851 4.7866 4.7868 5.0694 5.0701 5.1314 5.1324 5.5185 5.5189 5.9172 5.9184 6.3062 6.3072 6.8719 6.8722 7.3943 7.3943 13.4022 13.4024 13.4074 13.4075 14.7869 14.7871 15.1468 15.1468 16.2887 16.2891 16.5557 16.5563 k = 0.5000-0.0000 0.0126 ( 4152 PWs) bands (ev): -13.3877 -13.3877 -12.9419 -12.9419 -11.7996 -11.7994 -11.6409 -11.6409 -11.5682 -11.5679 -11.2570 -11.2570 -10.8316 -10.8316 -10.6549 -10.6549 -1.6933 -1.6933 -1.5858 -1.5858 -0.4363 -0.4360 -0.4006 -0.4006 0.6242 0.6244 0.8620 0.8621 1.2082 1.2082 1.5194 1.5195 2.3899 2.3901 2.9456 2.9457 3.2456 3.2457 3.3449 3.3452 3.7277 3.7281 3.7504 3.7511 4.1532 4.1536 4.1845 4.1850 4.7847 4.7848 5.0663 5.0667 5.1361 5.1366 5.5185 5.5187 5.9148 5.9153 6.3066 6.3071 6.8714 6.8716 7.3966 7.3966 13.3975 13.3976 13.4028 13.4029 14.7854 14.7855 15.1449 15.1449 16.2870 16.2872 16.5593 16.5596 k = 0.5000-0.0000-0.0000 ( 4152 PWs) bands (ev): -13.3882 -13.3882 -12.9415 -12.9415 -11.7976 -11.7976 -11.6400 -11.6400 -11.5706 -11.5706 -11.2575 -11.2575 -10.8317 -10.8317 -10.6546 -10.6546 -1.6936 -1.6936 -1.5861 -1.5861 -0.4347 -0.4347 -0.3998 -0.3998 0.6220 0.6220 0.8613 0.8613 1.2080 1.2080 1.5194 1.5194 2.3897 2.3897 2.9476 2.9476 3.2478 3.2478 3.3460 3.3460 3.7276 3.7276 3.7512 3.7512 4.1511 4.1511 4.1849 4.1849 4.7841 4.7841 5.0654 5.0654 5.1378 5.1378 5.5186 5.5186 5.9141 5.9141 6.3069 6.3069 6.8713 6.8713 7.3974 7.3974 13.3960 13.3960 13.4013 13.4013 14.7849 14.7849 15.1443 15.1443 16.2865 16.2865 16.5606 16.5606 k = 0.0000 0.0000 0.3027 ( 4142 PWs) bands (ev): -13.7587 -13.7587 -13.7585 -13.7585 -11.4871 -11.4871 -11.4868 -11.4868 -11.0635 -11.0635 -11.0633 -11.0633 -10.4642 -10.4642 -10.4637 -10.4637 -2.0540 -2.0540 -2.0536 -2.0536 0.0381 0.0381 0.0393 0.0393 0.5029 0.5029 0.5029 0.5029 1.4617 1.4617 1.4638 1.4638 2.8238 2.8238 2.8248 2.8248 3.3588 3.3588 3.3600 3.3600 3.8733 3.8733 3.8771 3.8771 4.3995 4.3995 4.4008 4.4008 4.7529 4.7529 4.7545 4.7545 5.2264 5.2264 5.2307 5.2307 5.9856 5.9856 5.9861 5.9861 6.8352 6.8352 6.8372 6.8372 11.6636 11.6636 11.6644 11.6644 15.2429 15.2429 15.2441 15.2441 16.0237 16.0237 16.0300 16.0300 k = 0.0125-0.0000 0.3027 ( 4142 PWs) bands (ev): -13.7581 -13.7581 -13.7579 -13.7579 -11.4872 -11.4872 -11.4868 -11.4868 -11.0638 -11.0638 -11.0635 -11.0635 -10.4649 -10.4649 -10.4645 -10.4645 -2.0533 -2.0533 -2.0529 -2.0529 0.0361 0.0361 0.0375 0.0375 0.5047 0.5047 0.5052 0.5052 1.4611 1.4611 1.4633 1.4633 2.8236 2.8236 2.8248 2.8248 3.3584 3.3584 3.3597 3.3597 3.8715 3.8715 3.8754 3.8754 4.4007 4.4007 4.4021 4.4021 4.7519 4.7519 4.7536 4.7536 5.2275 5.2275 5.2318 5.2318 5.9862 5.9862 5.9867 5.9867 6.8354 6.8354 6.8374 6.8374 11.6658 11.6658 11.6667 11.6667 15.2430 15.2430 15.2443 15.2443 16.0249 16.0249 16.0311 16.0311 k = 0.0250-0.0000 0.3027 ( 4142 PWs) bands (ev): -13.7562 -13.7562 -13.7559 -13.7559 -11.4874 -11.4874 -11.4870 -11.4870 -11.0646 -11.0646 -11.0643 -11.0643 -10.4672 -10.4672 -10.4667 -10.4667 -2.0512 -2.0512 -2.0508 -2.0508 0.0304 0.0304 0.0320 0.0320 0.5106 0.5106 0.5115 0.5115 1.4596 1.4596 1.4617 1.4617 2.8232 2.8232 2.8248 2.8248 3.3570 3.3570 3.3586 3.3586 3.8661 3.8661 3.8702 3.8702 4.4041 4.4041 4.4060 4.4060 4.7491 4.7491 4.7507 4.7507 5.2307 5.2307 5.2350 5.2351 5.9879 5.9879 5.9886 5.9886 6.8359 6.8359 6.8380 6.8380 11.6727 11.6727 11.6736 11.6736 15.2433 15.2433 15.2448 15.2448 16.0283 16.0283 16.0345 16.0345 k = 0.0375-0.0000 0.3027 ( 4146 PWs) bands (ev): -13.7529 -13.7529 -13.7527 -13.7527 -11.4878 -11.4878 -11.4873 -11.4873 -11.0660 -11.0660 -11.0655 -11.0655 -10.4711 -10.4711 -10.4705 -10.4705 -2.0478 -2.0478 -2.0472 -2.0472 0.0213 0.0213 0.0230 0.0230 0.5203 0.5203 0.5216 0.5216 1.4570 1.4570 1.4592 1.4592 2.8225 2.8225 2.8246 2.8246 3.3548 3.3548 3.3566 3.3566 3.8576 3.8576 3.8621 3.8621 4.4096 4.4096 4.4120 4.4120 4.7444 4.7444 4.7461 4.7461 5.2361 5.2361 5.2404 5.2404 5.9908 5.9908 5.9916 5.9916 6.8368 6.8368 6.8389 6.8389 11.6841 11.6841 11.6851 11.6851 15.2439 15.2439 15.2456 15.2456 16.0339 16.0339 16.0402 16.0402 k = 0.0500-0.0000 0.3027 ( 4146 PWs) bands (ev): -13.7484 -13.7484 -13.7482 -13.7482 -11.4883 -11.4883 -11.4878 -11.4878 -11.0679 -11.0679 -11.0673 -11.0673 -10.4764 -10.4764 -10.4757 -10.4757 -2.0430 -2.0430 -2.0423 -2.0423 0.0091 0.0091 0.0111 0.0111 0.5333 0.5333 0.5350 0.5350 1.4534 1.4534 1.4557 1.4557 2.8216 2.8216 2.8242 2.8242 3.3516 3.3516 3.3538 3.3538 3.8467 3.8467 3.8516 3.8516 4.4165 4.4165 4.4194 4.4194 4.7382 4.7382 4.7399 4.7399 5.2435 5.2435 5.2477 5.2477 5.9950 5.9950 5.9960 5.9960 6.8380 6.8380 6.8401 6.8401 11.7001 11.7001 11.7012 11.7012 15.2448 15.2448 15.2468 15.2468 16.0418 16.0418 16.0481 16.0481 k = 0.0625-0.0000 0.3027 ( 4148 PWs) bands (ev): -13.7426 -13.7426 -13.7424 -13.7424 -11.4890 -11.4890 -11.4884 -11.4884 -11.0703 -11.0703 -11.0697 -11.0697 -10.4830 -10.4830 -10.4822 -10.4822 -2.0369 -2.0369 -2.0361 -2.0361 -0.0057 -0.0057 -0.0035 -0.0035 0.5492 0.5492 0.5512 0.5512 1.4491 1.4491 1.4513 1.4513 2.8205 2.8205 2.8235 2.8235 3.3473 3.3473 3.3499 3.3499 3.8340 3.8340 3.8393 3.8393 4.4242 4.4242 4.4275 4.4275 4.7306 4.7306 4.7324 4.7324 5.2528 5.2528 5.2569 5.2569 6.0004 6.0004 6.0015 6.0015 6.8394 6.8394 6.8416 6.8416 11.7206 11.7206 11.7217 11.7217 15.2459 15.2459 15.2482 15.2482 16.0517 16.0517 16.0581 16.0581 k = 0.0750-0.0000 0.3027 ( 4144 PWs) bands (ev): -13.7356 -13.7356 -13.7353 -13.7353 -11.4899 -11.4899 -11.4893 -11.4893 -11.0733 -11.0733 -11.0725 -11.0725 -10.4910 -10.4910 -10.4901 -10.4901 -2.0295 -2.0295 -2.0286 -2.0286 -0.0226 -0.0226 -0.0203 -0.0203 0.5674 0.5674 0.5697 0.5697 1.4440 1.4440 1.4463 1.4463 2.8189 2.8189 2.8224 2.8224 3.3419 3.3419 3.3448 3.3448 3.8203 3.8203 3.8260 3.8260 4.4322 4.4322 4.4357 4.4357 4.7218 4.7218 4.7237 4.7237 5.2638 5.2638 5.2678 5.2678 6.0072 6.0072 6.0084 6.0084 6.8410 6.8410 6.8433 6.8433 11.7455 11.7455 11.7467 11.7467 15.2473 15.2473 15.2499 15.2499 16.0637 16.0637 16.0702 16.0702 k = 0.0875-0.0000 0.3027 ( 4144 PWs) bands (ev): -13.7273 -13.7273 -13.7270 -13.7270 -11.4911 -11.4911 -11.4904 -11.4904 -11.0769 -11.0768 -11.0760 -11.0760 -10.5002 -10.5002 -10.4992 -10.4992 -2.0208 -2.0208 -2.0198 -2.0198 -0.0413 -0.0413 -0.0389 -0.0389 0.5876 0.5876 0.5901 0.5901 1.4383 1.4383 1.4407 1.4407 2.8170 2.8170 2.8209 2.8209 3.3351 3.3351 3.3383 3.3383 3.8063 3.8063 3.8124 3.8124 4.4397 4.4397 4.4435 4.4435 4.7122 4.7122 4.7142 4.7142 5.2764 5.2764 5.2802 5.2802 6.0152 6.0152 6.0165 6.0165 6.8428 6.8428 6.8452 6.8452 11.7747 11.7747 11.7761 11.7761 15.2490 15.2490 15.2519 15.2519 16.0775 16.0775 16.0841 16.0841 k = 0.1000-0.0000 0.3027 ( 4144 PWs) bands (ev): -13.7178 -13.7178 -13.7175 -13.7175 -11.4926 -11.4926 -11.4918 -11.4918 -11.0809 -11.0809 -11.0799 -11.0799 -10.5104 -10.5104 -10.5093 -10.5093 -2.0109 -2.0109 -2.0098 -2.0098 -0.0615 -0.0615 -0.0590 -0.0590 0.6093 0.6093 0.6119 0.6119 1.4322 1.4322 1.4346 1.4346 2.8146 2.8146 2.8189 2.8189 3.3269 3.3269 3.3304 3.3304 3.7927 3.7928 3.7992 3.7992 4.4463 4.4463 4.4502 4.4502 4.7021 4.7021 4.7042 4.7042 5.2904 5.2904 5.2940 5.2940 6.0247 6.0247 6.0260 6.0260 6.8446 6.8446 6.8471 6.8471 11.8083 11.8083 11.8098 11.8098 15.2509 15.2509 15.2542 15.2542 16.0932 16.0932 16.0999 16.0999 k = 0.1125-0.0000 0.3027 ( 4142 PWs) bands (ev): -13.7070 -13.7070 -13.7068 -13.7068 -11.4945 -11.4945 -11.4936 -11.4936 -11.0856 -11.0856 -11.0845 -11.0845 -10.5216 -10.5216 -10.5204 -10.5204 -1.9999 -1.9999 -1.9986 -1.9986 -0.0828 -0.0828 -0.0803 -0.0803 0.6322 0.6322 0.6349 0.6349 1.4257 1.4257 1.4282 1.4282 2.8116 2.8116 2.8163 2.8163 3.3171 3.3171 3.3208 3.3208 3.7801 3.7801 3.7869 3.7869 4.4515 4.4515 4.4556 4.4556 4.6918 4.6918 4.6939 4.6939 5.3054 5.3054 5.3088 5.3088 6.0354 6.0354 6.0367 6.0367 6.8465 6.8465 6.8490 6.8490 11.8461 11.8461 11.8477 11.8477 15.2532 15.2532 15.2567 15.2567 16.1106 16.1106 16.1173 16.1173 k = 0.1250-0.0000 0.3027 ( 4136 PWs) bands (ev): -13.6951 -13.6951 -13.6948 -13.6948 -11.4968 -11.4968 -11.4958 -11.4958 -11.0908 -11.0908 -11.0895 -11.0895 -10.5337 -10.5337 -10.5323 -10.5323 -1.9877 -1.9877 -1.9864 -1.9863 -0.1051 -0.1051 -0.1025 -0.1025 0.6558 0.6558 0.6586 0.6586 1.4191 1.4191 1.4216 1.4216 2.8081 2.8081 2.8131 2.8131 3.3056 3.3056 3.3096 3.3096 3.7689 3.7689 3.7760 3.7760 4.4551 4.4551 4.4593 4.4593 4.6814 4.6814 4.6836 4.6836 5.3213 5.3213 5.3245 5.3245 6.0476 6.0476 6.0488 6.0488 6.8484 6.8484 6.8509 6.8509 11.8879 11.8880 11.8897 11.8897 15.2556 15.2557 15.2595 15.2595 16.1295 16.1295 16.1362 16.1362 k = 0.1375-0.0000 0.3027 ( 4134 PWs) bands (ev): -13.6820 -13.6820 -13.6818 -13.6818 -11.4997 -11.4997 -11.4986 -11.4986 -11.0965 -11.0965 -11.0951 -11.0951 -10.5464 -10.5464 -10.5449 -10.5449 -1.9745 -1.9745 -1.9731 -1.9731 -0.1282 -0.1282 -0.1256 -0.1256 0.6801 0.6801 0.6829 0.6829 1.4124 1.4124 1.4150 1.4150 2.8039 2.8039 2.8092 2.8092 3.2924 3.2924 3.2965 3.2965 3.7594 3.7594 3.7667 3.7667 4.4570 4.4570 4.4613 4.4613 4.6713 4.6713 4.6736 4.6736 5.3378 5.3378 5.3408 5.3408 6.0610 6.0610 6.0621 6.0621 6.8502 6.8502 6.8528 6.8528 11.9338 11.9338 11.9357 11.9357 15.2583 15.2584 15.2624 15.2624 16.1497 16.1497 16.1565 16.1565 k = 0.1500-0.0000 0.3027 ( 4136 PWs) bands (ev): -13.6678 -13.6678 -13.6676 -13.6676 -11.5031 -11.5031 -11.5020 -11.5020 -11.1027 -11.1027 -11.1013 -11.1013 -10.5596 -10.5596 -10.5580 -10.5580 -1.9604 -1.9604 -1.9588 -1.9588 -0.1518 -0.1518 -0.1492 -0.1492 0.7046 0.7046 0.7075 0.7075 1.4058 1.4058 1.4084 1.4084 2.7991 2.7991 2.8046 2.8046 3.2775 3.2775 3.2818 3.2818 3.7518 3.7518 3.7594 3.7594 4.4570 4.4570 4.4615 4.4615 4.6617 4.6617 4.6641 4.6641 5.3545 5.3545 5.3573 5.3573 6.0756 6.0756 6.0765 6.0765 6.8520 6.8520 6.8546 6.8546 11.9835 11.9835 11.9855 11.9855 15.2612 15.2612 15.2656 15.2656 16.1713 16.1713 16.1780 16.1780 k = 0.1625-0.0000 0.3027 ( 4130 PWs) bands (ev): -13.6525 -13.6525 -13.6523 -13.6523 -11.5074 -11.5073 -11.5061 -11.5061 -11.1094 -11.1094 -11.1078 -11.1078 -10.5731 -10.5731 -10.5715 -10.5715 -1.9454 -1.9454 -1.9437 -1.9437 -0.1760 -0.1760 -0.1734 -0.1734 0.7293 0.7293 0.7322 0.7322 1.3994 1.3994 1.4020 1.4020 2.7936 2.7936 2.7992 2.7992 3.2610 3.2610 3.2653 3.2653 3.7462 3.7462 3.7540 3.7540 4.4553 4.4553 4.4601 4.4601 4.6526 4.6526 4.6551 4.6551 5.3711 5.3711 5.3738 5.3738 6.0913 6.0913 6.0921 6.0921 6.8537 6.8537 6.8563 6.8563 12.0369 12.0369 12.0390 12.0390 15.2643 15.2643 15.2689 15.2689 16.1939 16.1939 16.2006 16.2006 k = 0.1750-0.0000 0.3027 ( 4136 PWs) bands (ev): -13.6362 -13.6362 -13.6359 -13.6359 -11.5124 -11.5124 -11.5111 -11.5111 -11.1165 -11.1165 -11.1148 -11.1148 -10.5868 -10.5868 -10.5851 -10.5851 -1.9295 -1.9295 -1.9278 -1.9278 -0.2005 -0.2005 -0.1980 -0.1980 0.7539 0.7539 0.7569 0.7569 1.3932 1.3932 1.3958 1.3958 2.7875 2.7875 2.7932 2.7932 3.2431 3.2431 3.2474 3.2474 3.7426 3.7426 3.7506 3.7506 4.4522 4.4522 4.4572 4.4572 4.6443 4.6443 4.6469 4.6469 5.3873 5.3873 5.3901 5.3901 6.1078 6.1078 6.1085 6.1085 6.8555 6.8555 6.8580 6.8580 12.0939 12.0939 12.0962 12.0962 15.2674 15.2674 15.2722 15.2722 16.2175 16.2175 16.2242 16.2242 k = 0.1875-0.0000 0.3027 ( 4140 PWs) bands (ev): -13.6188 -13.6188 -13.6186 -13.6186 -11.5184 -11.5184 -11.5171 -11.5171 -11.1239 -11.1239 -11.1222 -11.1222 -10.6006 -10.6006 -10.5988 -10.5988 -1.9129 -1.9129 -1.9111 -1.9111 -0.2253 -0.2253 -0.2228 -0.2228 0.7784 0.7784 0.7813 0.7813 1.3873 1.3873 1.3900 1.3900 2.7806 2.7806 2.7864 2.7864 3.2239 3.2239 3.2282 3.2282 3.7408 3.7408 3.7490 3.7490 4.4478 4.4478 4.4531 4.4531 4.6368 4.6368 4.6394 4.6394 5.4029 5.4029 5.4058 5.4058 6.1248 6.1248 6.1257 6.1257 6.8573 6.8573 6.8598 6.8598 12.1543 12.1543 12.1567 12.1567 15.2705 15.2705 15.2755 15.2756 16.2418 16.2418 16.2485 16.2485 k = 0.2000-0.0000 0.3027 ( 4138 PWs) bands (ev): -13.6005 -13.6005 -13.6002 -13.6002 -11.5256 -11.5256 -11.5242 -11.5242 -11.1316 -11.1316 -11.1297 -11.1297 -10.6142 -10.6142 -10.6123 -10.6123 -1.8957 -1.8957 -1.8939 -1.8939 -0.2503 -0.2503 -0.2478 -0.2478 0.8025 0.8025 0.8054 0.8054 1.3818 1.3818 1.3845 1.3845 2.7731 2.7731 2.7789 2.7789 3.2037 3.2037 3.2080 3.2080 3.7407 3.7407 3.7491 3.7491 4.4426 4.4426 4.4482 4.4482 4.6301 4.6301 4.6328 4.6328 5.4176 5.4176 5.4208 5.4208 6.1421 6.1422 6.1433 6.1433 6.8593 6.8593 6.8618 6.8618 12.2180 12.2180 12.2204 12.2205 15.2735 15.2735 15.2788 15.2788 16.2668 16.2668 16.2733 16.2733 k = 0.2125-0.0000 0.3027 ( 4138 PWs) bands (ev): -13.5813 -13.5813 -13.5810 -13.5810 -11.5339 -11.5339 -11.5324 -11.5324 -11.1393 -11.1393 -11.1374 -11.1374 -10.6276 -10.6276 -10.6256 -10.6256 -1.8779 -1.8779 -1.8760 -1.8760 -0.2753 -0.2753 -0.2730 -0.2730 0.8261 0.8261 0.8291 0.8291 1.3767 1.3767 1.3794 1.3794 2.7650 2.7650 2.7708 2.7708 3.1828 3.1828 3.1871 3.1872 3.7421 3.7421 3.7506 3.7506 4.4368 4.4368 4.4428 4.4428 4.6244 4.6244 4.6271 4.6271 5.4313 5.4313 5.4347 5.4348 6.1594 6.1594 6.1609 6.1609 6.8617 6.8617 6.8642 6.8642 12.2847 12.2847 12.2873 12.2873 15.2763 15.2763 15.2818 15.2818 16.2921 16.2921 16.2986 16.2987 k = 0.2250-0.0000 0.3027 ( 4140 PWs) bands (ev): -13.5613 -13.5613 -13.5610 -13.5610 -11.5436 -11.5436 -11.5421 -11.5421 -11.1471 -11.1471 -11.1451 -11.1451 -10.6405 -10.6405 -10.6386 -10.6386 -1.8597 -1.8597 -1.8578 -1.8578 -0.3004 -0.3004 -0.2981 -0.2981 0.8493 0.8493 0.8522 0.8522 1.3719 1.3719 1.3747 1.3747 2.7561 2.7561 2.7618 2.7618 3.1615 3.1615 3.1659 3.1659 3.7446 3.7446 3.7532 3.7532 4.4308 4.4308 4.4371 4.4371 4.6197 4.6197 4.6225 4.6225 5.4437 5.4437 5.4476 5.4476 6.1763 6.1763 6.1783 6.1783 6.8646 6.8646 6.8670 6.8670 12.3542 12.3542 12.3569 12.3569 15.2787 15.2788 15.2844 15.2844 16.3177 16.3177 16.3242 16.3242 k = 0.2375-0.0000 0.3027 ( 4138 PWs) bands (ev): -13.5405 -13.5405 -13.5401 -13.5401 -11.5547 -11.5547 -11.5532 -11.5532 -11.1547 -11.1547 -11.1527 -11.1527 -10.6530 -10.6530 -10.6510 -10.6510 -1.8411 -1.8411 -1.8392 -1.8392 -0.3254 -0.3254 -0.3232 -0.3232 0.8718 0.8718 0.8748 0.8748 1.3675 1.3675 1.3703 1.3703 2.7465 2.7465 2.7522 2.7522 3.1401 3.1401 3.1445 3.1445 3.7480 3.7480 3.7568 3.7568 4.4248 4.4248 4.4314 4.4314 4.6161 4.6161 4.6189 4.6189 5.4547 5.4547 5.4590 5.4590 6.1924 6.1924 6.1948 6.1948 6.8682 6.8682 6.8705 6.8705 12.4264 12.4264 12.4293 12.4293 15.2807 15.2807 15.2865 15.2866 16.3433 16.3433 16.3497 16.3497 k = 0.2500-0.0000 0.3027 ( 4140 PWs) bands (ev): -13.5189 -13.5189 -13.5186 -13.5186 -11.5673 -11.5673 -11.5658 -11.5658 -11.1620 -11.1620 -11.1600 -11.1600 -10.6650 -10.6650 -10.6629 -10.6629 -1.8223 -1.8223 -1.8203 -1.8203 -0.3502 -0.3502 -0.3481 -0.3481 0.8937 0.8937 0.8967 0.8967 1.3634 1.3634 1.3663 1.3663 2.7361 2.7361 2.7418 2.7418 3.1189 3.1189 3.1233 3.1233 3.7522 3.7522 3.7610 3.7610 4.4191 4.4191 4.4259 4.4259 4.6138 4.6138 4.6167 4.6167 5.4642 5.4642 5.4690 5.4690 6.2073 6.2073 6.2103 6.2103 6.8727 6.8727 6.8749 6.8749 12.5011 12.5011 12.5040 12.5040 15.2819 15.2819 15.2879 15.2879 16.3687 16.3687 16.3750 16.3750 k = 0.2625-0.0000 0.3027 ( 4146 PWs) bands (ev): -13.4968 -13.4968 -13.4965 -13.4965 -11.5815 -11.5815 -11.5799 -11.5799 -11.1690 -11.1690 -11.1669 -11.1669 -10.6763 -10.6763 -10.6742 -10.6742 -1.8033 -1.8033 -1.8013 -1.8013 -0.3748 -0.3748 -0.3727 -0.3727 0.9149 0.9149 0.9179 0.9179 1.3597 1.3597 1.3626 1.3626 2.7250 2.7250 2.7306 2.7306 3.0981 3.0981 3.1026 3.1026 3.7567 3.7567 3.7656 3.7656 4.4137 4.4137 4.4208 4.4208 4.6130 4.6130 4.6159 4.6159 5.4722 5.4722 5.4774 5.4774 6.2207 6.2207 6.2241 6.2241 6.8783 6.8783 6.8803 6.8803 12.5779 12.5779 12.5809 12.5809 15.2822 15.2822 15.2884 15.2884 16.3935 16.3935 16.3998 16.3998 k = 0.2750-0.0000 0.3027 ( 4148 PWs) bands (ev): -13.4742 -13.4742 -13.4738 -13.4738 -11.5972 -11.5972 -11.5956 -11.5956 -11.1754 -11.1754 -11.1734 -11.1734 -10.6869 -10.6869 -10.6849 -10.6849 -1.7842 -1.7842 -1.7822 -1.7822 -0.3991 -0.3991 -0.3970 -0.3970 0.9354 0.9355 0.9384 0.9384 1.3562 1.3562 1.3592 1.3592 2.7130 2.7130 2.7186 2.7186 3.0781 3.0782 3.0827 3.0827 3.7615 3.7615 3.7704 3.7704 4.4088 4.4088 4.4161 4.4161 4.6138 4.6138 4.6169 4.6169 5.4785 5.4785 5.4842 5.4842 6.2322 6.2322 6.2361 6.2361 6.8851 6.8851 6.8870 6.8870 12.6566 12.6566 12.6597 12.6597 15.2813 15.2813 15.2877 15.2877 16.4175 16.4175 16.4237 16.4237 k = 0.2875-0.0000 0.3027 ( 4148 PWs) bands (ev): -13.4511 -13.4511 -13.4508 -13.4508 -11.6143 -11.6143 -11.6128 -11.6128 -11.1813 -11.1813 -11.1793 -11.1793 -10.6968 -10.6968 -10.6948 -10.6948 -1.7652 -1.7652 -1.7632 -1.7632 -0.4228 -0.4228 -0.4208 -0.4208 0.9552 0.9552 0.9582 0.9582 1.3529 1.3529 1.3560 1.3560 2.7003 2.7003 2.7058 2.7058 3.0591 3.0591 3.0637 3.0637 3.7663 3.7663 3.7752 3.7752 4.4044 4.4044 4.4118 4.4118 4.6166 4.6166 4.6198 4.6198 5.4832 5.4832 5.4893 5.4893 6.2416 6.2416 6.2460 6.2460 6.8932 6.8932 6.8951 6.8951 12.7370 12.7370 12.7402 12.7402 15.2790 15.2790 15.2855 15.2855 16.4404 16.4404 16.4466 16.4466 k = 0.3000-0.0000 0.3027 ( 4144 PWs) bands (ev): -13.4278 -13.4278 -13.4274 -13.4274 -11.6328 -11.6328 -11.6313 -11.6313 -11.1866 -11.1866 -11.1846 -11.1846 -10.7060 -10.7060 -10.7040 -10.7040 -1.7463 -1.7463 -1.7444 -1.7444 -0.4461 -0.4461 -0.4441 -0.4441 0.9743 0.9743 0.9773 0.9773 1.3498 1.3498 1.3529 1.3529 2.6868 2.6868 2.6922 2.6922 3.0413 3.0413 3.0458 3.0458 3.7710 3.7710 3.7798 3.7798 4.4004 4.4004 4.4078 4.4078 4.6215 4.6215 4.6249 4.6249 5.4861 5.4861 5.4925 5.4925 6.2487 6.2487 6.2535 6.2535 6.9027 6.9027 6.9045 6.9045 12.8187 12.8187 12.8221 12.8221 15.2750 15.2750 15.2815 15.2815 16.4619 16.4619 16.4679 16.4679 k = 0.3125-0.0000 0.3027 ( 4142 PWs) bands (ev): -13.4043 -13.4043 -13.4039 -13.4039 -11.6525 -11.6525 -11.6511 -11.6511 -11.1913 -11.1913 -11.1893 -11.1893 -10.7145 -10.7145 -10.7126 -10.7126 -1.7277 -1.7277 -1.7258 -1.7258 -0.4687 -0.4687 -0.4668 -0.4668 0.9925 0.9926 0.9956 0.9956 1.3468 1.3468 1.3500 1.3500 2.6726 2.6726 2.6778 2.6778 3.0247 3.0247 3.0292 3.0292 3.7755 3.7755 3.7842 3.7842 4.3966 4.3966 4.4040 4.4040 4.6287 4.6287 4.6324 4.6324 5.4872 5.4872 5.4940 5.4940 6.2534 6.2534 6.2586 6.2586 6.9135 6.9135 6.9152 6.9152 12.9015 12.9015 12.9049 12.9049 15.2689 15.2689 15.2755 15.2755 16.4815 16.4815 16.4875 16.4875 k = 0.3250-0.0000 0.3027 ( 4138 PWs) bands (ev): -13.3807 -13.3807 -13.3804 -13.3804 -11.6732 -11.6732 -11.6718 -11.6718 -11.1953 -11.1953 -11.1934 -11.1934 -10.7223 -10.7223 -10.7204 -10.7204 -1.7095 -1.7095 -1.7076 -1.7076 -0.4906 -0.4906 -0.4887 -0.4887 1.0101 1.0101 1.0131 1.0131 1.3440 1.3440 1.3472 1.3472 2.6579 2.6579 2.6629 2.6629 3.0095 3.0095 3.0139 3.0139 3.7797 3.7797 3.7883 3.7883 4.3930 4.3930 4.4003 4.4003 4.6384 4.6384 4.6424 4.6425 5.4865 5.4865 5.4935 5.4935 6.2559 6.2559 6.2614 6.2614 6.9255 6.9255 6.9271 6.9271 12.9850 12.9850 12.9884 12.9884 15.2605 15.2605 15.2672 15.2672 16.4991 16.4991 16.5051 16.5051 k = 0.3375-0.0000 0.3027 ( 4140 PWs) bands (ev): -13.3574 -13.3574 -13.3570 -13.3570 -11.6946 -11.6946 -11.6932 -11.6932 -11.1987 -11.1987 -11.1969 -11.1969 -10.7294 -10.7294 -10.7276 -10.7276 -1.6917 -1.6917 -1.6899 -1.6899 -0.5116 -0.5116 -0.5098 -0.5098 1.0268 1.0268 1.0297 1.0298 1.3412 1.3412 1.3444 1.3444 2.6427 2.6427 2.6476 2.6476 2.9956 2.9956 2.9998 2.9998 3.7837 3.7837 3.7921 3.7921 4.3894 4.3894 4.3966 4.3966 4.6507 4.6507 4.6550 4.6550 5.4840 5.4840 5.4912 5.4912 6.2563 6.2563 6.2620 6.2620 6.9384 6.9384 6.9399 6.9399 13.0687 13.0687 13.0722 13.0722 15.2495 15.2496 15.2562 15.2563 16.5144 16.5144 16.5204 16.5204 k = 0.3500-0.0000 0.3027 ( 4136 PWs) bands (ev): -13.3343 -13.3343 -13.3339 -13.3339 -11.7164 -11.7164 -11.7152 -11.7152 -11.2016 -11.2016 -11.1998 -11.1998 -10.7358 -10.7358 -10.7341 -10.7341 -1.6746 -1.6746 -1.6729 -1.6729 -0.5317 -0.5317 -0.5299 -0.5299 1.0426 1.0426 1.0456 1.0456 1.3385 1.3385 1.3417 1.3417 2.6273 2.6273 2.6320 2.6320 2.9831 2.9831 2.9871 2.9871 3.7873 3.7873 3.7955 3.7955 4.3859 4.3859 4.3929 4.3929 4.6654 4.6654 4.6701 4.6701 5.4796 5.4796 5.4870 5.4870 6.2549 6.2549 6.2608 6.2608 6.9520 6.9520 6.9535 6.9535 13.1522 13.1522 13.1558 13.1558 15.2358 15.2358 15.2425 15.2425 16.5276 16.5276 16.5335 16.5336 k = 0.3625-0.0000 0.3027 ( 4130 PWs) bands (ev): -13.3117 -13.3117 -13.3114 -13.3114 -11.7384 -11.7384 -11.7372 -11.7372 -11.2039 -11.2039 -11.2022 -11.2022 -10.7416 -10.7416 -10.7400 -10.7400 -1.6582 -1.6582 -1.6566 -1.6566 -0.5507 -0.5507 -0.5490 -0.5490 1.0577 1.0577 1.0606 1.0606 1.3359 1.3359 1.3391 1.3391 2.6120 2.6120 2.6163 2.6163 2.9718 2.9718 2.9756 2.9756 3.7906 3.7906 3.7985 3.7985 4.3823 4.3823 4.3892 4.3892 4.6824 4.6825 4.6874 4.6874 5.4735 5.4735 5.4810 5.4810 6.2520 6.2520 6.2580 6.2580 6.9660 6.9660 6.9674 6.9674 13.2351 13.2351 13.2387 13.2387 15.2192 15.2192 15.2258 15.2258 16.5388 16.5388 16.5446 16.5446 k = 0.3750-0.0000 0.3027 ( 4132 PWs) bands (ev): -13.2899 -13.2899 -13.2895 -13.2895 -11.7601 -11.7601 -11.7590 -11.7590 -11.2058 -11.2058 -11.2042 -11.2042 -10.7468 -10.7468 -10.7453 -10.7453 -1.6427 -1.6427 -1.6412 -1.6412 -0.5686 -0.5686 -0.5669 -0.5669 1.0718 1.0718 1.0746 1.0746 1.3334 1.3334 1.3364 1.3364 2.5969 2.5969 2.6009 2.6009 2.9618 2.9618 2.9653 2.9653 3.7936 3.7936 3.8012 3.8012 4.3786 4.3786 4.3853 4.3853 4.7015 4.7015 4.7067 4.7067 5.4658 5.4658 5.4732 5.4732 6.2479 6.2479 6.2540 6.2540 6.9801 6.9801 6.9813 6.9813 13.3168 13.3168 13.3204 13.3204 15.1996 15.1996 15.2062 15.2062 16.5481 16.5481 16.5539 16.5539 k = 0.3875-0.0000 0.3027 ( 4126 PWs) bands (ev): -13.2690 -13.2690 -13.2687 -13.2687 -11.7813 -11.7813 -11.7803 -11.7803 -11.2073 -11.2073 -11.2058 -11.2058 -10.7514 -10.7514 -10.7500 -10.7500 -1.6281 -1.6281 -1.6267 -1.6267 -0.5852 -0.5852 -0.5835 -0.5835 1.0850 1.0850 1.0877 1.0877 1.3309 1.3309 1.3339 1.3339 2.5823 2.5823 2.5860 2.5860 2.9529 2.9529 2.9562 2.9562 3.7963 3.7963 3.8037 3.8037 4.3750 4.3750 4.3815 4.3815 4.7221 4.7221 4.7275 4.7275 5.4565 5.4565 5.4638 5.4638 6.2430 6.2430 6.2491 6.2491 6.9938 6.9938 6.9950 6.9950 13.3965 13.3965 13.4001 13.4001 15.1774 15.1774 15.1837 15.1837 16.5560 16.5560 16.5616 16.5616 k = 0.4000-0.0000 0.3027 ( 4124 PWs) bands (ev): -13.2493 -13.2493 -13.2490 -13.2490 -11.8016 -11.8016 -11.8007 -11.8007 -11.2085 -11.2085 -11.2070 -11.2070 -10.7555 -10.7555 -10.7541 -10.7541 -1.6147 -1.6147 -1.6134 -1.6134 -0.6004 -0.6004 -0.5987 -0.5987 1.0971 1.0971 1.0997 1.0997 1.3285 1.3285 1.3314 1.3314 2.5685 2.5685 2.5719 2.5719 2.9451 2.9451 2.9480 2.9480 3.7988 3.7988 3.8059 3.8059 4.3714 4.3714 4.3777 4.3777 4.7439 4.7439 4.7495 4.7495 5.4459 5.4459 5.4530 5.4530 6.2376 6.2376 6.2437 6.2437 7.0070 7.0070 7.0081 7.0081 13.4735 13.4735 13.4770 13.4770 15.1527 15.1527 15.1588 15.1588 16.5626 16.5626 16.5682 16.5682 k = 0.4125-0.0000 0.3027 ( 4128 PWs) bands (ev): -13.2311 -13.2311 -13.2307 -13.2307 -11.8206 -11.8206 -11.8198 -11.8198 -11.2094 -11.2094 -11.2080 -11.2080 -10.7590 -10.7590 -10.7577 -10.7577 -1.6024 -1.6024 -1.6013 -1.6013 -0.6142 -0.6142 -0.6125 -0.6125 1.1082 1.1082 1.1106 1.1106 1.3263 1.3263 1.3289 1.3289 2.5557 2.5557 2.5588 2.5588 2.9382 2.9382 2.9409 2.9409 3.8011 3.8011 3.8078 3.8078 4.3680 4.3680 4.3741 4.3741 4.7662 4.7662 4.7718 4.7719 5.4344 5.4344 5.4412 5.4412 6.2321 6.2321 6.2381 6.2381 7.0194 7.0194 7.0203 7.0204 13.5468 13.5468 13.5502 13.5502 15.1262 15.1262 15.1320 15.1320 16.5684 16.5684 16.5737 16.5737 k = 0.4250-0.0000 0.3027 ( 4130 PWs) bands (ev): -13.2146 -13.2146 -13.2142 -13.2142 -11.8380 -11.8380 -11.8373 -11.8373 -11.2101 -11.2101 -11.2087 -11.2087 -10.7620 -10.7620 -10.7608 -10.7608 -1.5915 -1.5915 -1.5905 -1.5905 -0.6263 -0.6263 -0.6247 -0.6247 1.1181 1.1181 1.1203 1.1203 1.3243 1.3243 1.3267 1.3267 2.5442 2.5442 2.5468 2.5468 2.9324 2.9324 2.9347 2.9347 3.8031 3.8031 3.8095 3.8095 4.3648 4.3648 4.3707 4.3707 4.7883 4.7883 4.7940 4.7940 5.4223 5.4223 5.4286 5.4286 6.2268 6.2268 6.2327 6.2327 7.0306 7.0306 7.0315 7.0315 13.6153 13.6153 13.6186 13.6186 15.0987 15.0987 15.1041 15.1041 16.5734 16.5734 16.5785 16.5785 k = 0.4375-0.0000 0.3027 ( 4124 PWs) bands (ev): -13.2000 -13.2000 -13.1997 -13.1997 -11.8534 -11.8534 -11.8529 -11.8529 -11.2106 -11.2106 -11.2092 -11.2092 -10.7645 -10.7645 -10.7634 -10.7634 -1.5821 -1.5821 -1.5812 -1.5812 -0.6368 -0.6368 -0.6352 -0.6352 1.1267 1.1267 1.1287 1.1287 1.3224 1.3224 1.3246 1.3246 2.5341 2.5341 2.5364 2.5364 2.9275 2.9275 2.9295 2.9295 3.8048 3.8048 3.8110 3.8110 4.3619 4.3619 4.3677 4.3677 4.8095 4.8095 4.8151 4.8151 5.4102 5.4102 5.4159 5.4159 6.2219 6.2219 6.2277 6.2277 7.0405 7.0405 7.0413 7.0413 13.6778 13.6778 13.6808 13.6808 15.0713 15.0713 15.0762 15.0762 16.5778 16.5778 16.5825 16.5825 k = 0.4500-0.0000 0.3027 ( 4118 PWs) bands (ev): -13.1877 -13.1877 -13.1874 -13.1874 -11.8666 -11.8666 -11.8661 -11.8661 -11.2109 -11.2109 -11.2096 -11.2096 -10.7665 -10.7665 -10.7655 -10.7655 -1.5742 -1.5742 -1.5734 -1.5734 -0.6455 -0.6455 -0.6439 -0.6439 1.1340 1.1340 1.1357 1.1357 1.3209 1.3209 1.3227 1.3227 2.5257 2.5257 2.5275 2.5275 2.9235 2.9235 2.9252 2.9252 3.8063 3.8063 3.8122 3.8122 4.3594 4.3594 4.3650 4.3650 4.8288 4.8288 4.8342 4.8342 5.3988 5.3988 5.4037 5.4037 6.2176 6.2176 6.2234 6.2234 7.0488 7.0488 7.0495 7.0495 13.7326 13.7326 13.7352 13.7352 15.0455 15.0456 15.0498 15.0499 16.5816 16.5816 16.5859 16.5859 k = 0.4625-0.0000 0.3027 ( 4118 PWs) bands (ev): -13.1779 -13.1779 -13.1775 -13.1775 -11.8771 -11.8771 -11.8767 -11.8767 -11.2112 -11.2112 -11.2099 -11.2099 -10.7681 -10.7681 -10.7672 -10.7672 -1.5679 -1.5679 -1.5673 -1.5673 -0.6524 -0.6524 -0.6508 -0.6508 1.1398 1.1398 1.1412 1.1412 1.3197 1.3197 1.3211 1.3211 2.5190 2.5190 2.5204 2.5204 2.9204 2.9204 2.9219 2.9219 3.8075 3.8075 3.8131 3.8131 4.3574 4.3574 4.3629 4.3629 4.8453 4.8453 4.8505 4.8505 5.3889 5.3889 5.3927 5.3927 6.2142 6.2142 6.2198 6.2198 7.0554 7.0554 7.0561 7.0561 13.7780 13.7780 13.7802 13.7802 15.0229 15.0229 15.0266 15.0266 16.5847 16.5847 16.5887 16.5887 k = 0.4750-0.0000 0.3027 ( 4124 PWs) bands (ev): -13.1707 -13.1707 -13.1703 -13.1703 -11.8848 -11.8848 -11.8845 -11.8845 -11.2113 -11.2113 -11.2101 -11.2101 -10.7692 -10.7692 -10.7683 -10.7683 -1.5634 -1.5633 -1.5629 -1.5629 -0.6573 -0.6573 -0.6558 -0.6558 1.1441 1.1441 1.1451 1.1451 1.3188 1.3189 1.3199 1.3199 2.5142 2.5142 2.5152 2.5152 2.9182 2.9182 2.9194 2.9194 3.8084 3.8084 3.8138 3.8138 4.3559 4.3559 4.3613 4.3613 4.8580 4.8580 4.8630 4.8630 5.3812 5.3812 5.3839 5.3839 6.2116 6.2116 6.2171 6.2171 7.0603 7.0603 7.0609 7.0609 13.8122 13.8122 13.8140 13.8140 15.0052 15.0052 15.0081 15.0081 16.5870 16.5870 16.5906 16.5906 k = 0.4875-0.0000 0.3027 ( 4126 PWs) bands (ev): -13.1663 -13.1663 -13.1660 -13.1660 -11.8894 -11.8894 -11.8893 -11.8893 -11.2114 -11.2114 -11.2102 -11.2102 -10.7698 -10.7698 -10.7690 -10.7690 -1.5606 -1.5606 -1.5603 -1.5603 -0.6603 -0.6603 -0.6588 -0.6588 1.1468 1.1468 1.1475 1.1475 1.3184 1.3184 1.3190 1.3190 2.5114 2.5114 2.5119 2.5119 2.9168 2.9168 2.9180 2.9180 3.8089 3.8089 3.8143 3.8143 4.3550 4.3550 4.3604 4.3604 4.8660 4.8660 4.8708 4.8708 5.3765 5.3765 5.3780 5.3780 6.2100 6.2100 6.2155 6.2155 7.0632 7.0632 7.0638 7.0638 13.8336 13.8336 13.8349 13.8349 14.9939 14.9939 14.9962 14.9962 16.5884 16.5884 16.5918 16.5918 k = 0.5000-0.0000 0.3027 ( 4120 PWs) bands (ev): -13.1648 -13.1648 -13.1645 -13.1645 -11.8910 -11.8910 -11.8909 -11.8909 -11.2115 -11.2115 -11.2102 -11.2102 -10.7700 -10.7700 -10.7693 -10.7693 -1.5596 -1.5596 -1.5594 -1.5594 -0.6613 -0.6613 -0.6598 -0.6598 1.1477 1.1477 1.1482 1.1482 1.3183 1.3183 1.3187 1.3187 2.5105 2.5105 2.5108 2.5108 2.9164 2.9164 2.9175 2.9175 3.8091 3.8091 3.8144 3.8144 4.3547 4.3547 4.3600 4.3600 4.8688 4.8688 4.8735 4.8735 5.3752 5.3752 5.3756 5.3756 6.2095 6.2095 6.2150 6.2150 7.0642 7.0642 7.0648 7.0648 13.8409 13.8409 13.8420 13.8420 14.9900 14.9900 14.9921 14.9921 16.5889 16.5889 16.5923 16.5923 Writing output data file SiO2.save init_run : 0.98s CPU 9.74s WALL ( 1 calls) electrons : 1759.01s CPU 1773.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 1758.97s CPU 1772.91s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.93s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.11s CPU 0.59s WALL ( 1 calls) newd : 0.16s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 301 calls) cegterg : 1702.94s CPU 1714.32s WALL ( 1131 calls) Called by sum_band: Called by *egterg: h_psi : 488.85s CPU 500.50s WALL ( 20605 calls) s_psi : 43.03s CPU 44.35s WALL ( 20605 calls) g_psi : 1.15s CPU 1.21s WALL ( 19173 calls) cdiaghg : 931.06s CPU 927.62s WALL ( 19474 calls) cegterg:over : 130.39s CPU 125.20s WALL ( 19173 calls) cegterg:upda : 35.60s CPU 40.36s WALL ( 19173 calls) cegterg:last : 22.80s CPU 23.50s WALL ( 2335 calls) Called by h_psi: h_psi:vloc : 374.36s CPU 384.73s WALL ( 20605 calls) h_psi:vnl : 113.99s CPU 114.32s WALL ( 20605 calls) add_vuspsi : 32.97s CPU 38.79s WALL ( 20605 calls) General routines calbec : 80.92s CPU 75.41s WALL ( 20605 calls) fft : 0.15s CPU 1.42s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 356.03s CPU 364.61s WALL ( 2185808 calls) interpolate : 0.07s CPU 0.14s WALL ( 4 calls) davcio : 0.02s CPU 1.31s WALL ( 602 calls) Parallel routines fft_scatter : 227.40s CPU 230.16s WALL ( 2185831 calls) PWSCF : 30m25.16s CPU 32m48.26s WALL This run was terminated on: 21:52:15 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=