Program PWSCF v.5.4.0 starts on 28Mar2017 at 16:58:23 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Zr3Sb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 36 9 2171 1624 232 Max 44 37 10 2178 1647 241 Sum 3125 2593 711 156479 117737 17129 bravais-lattice index = 14 lattice parameter (alat) = 16.0847 a.u. unit-cell volume = 2464.5708 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.084718 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.110937 celldm(5)= -0.110937 celldm(6)= -0.778126 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.778126 0.628109 0.000000 ) a(3) = ( -0.110937 -0.314054 0.942901 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.238840 0.530278 ) b(2) = ( 0.000000 1.592082 0.530278 ) b(3) = ( 0.000000 0.000000 1.060556 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Sb 5.00 121.76000 Sb( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 212 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 2) = ( 0.0000000 0.0000000 0.0265139), wk = 0.0047170 k( 3) = ( 0.0000000 0.0000000 0.0530278), wk = 0.0047170 k( 4) = ( 0.0000000 0.0000000 0.0795417), wk = 0.0047170 k( 5) = ( 0.0000000 0.0000000 0.1060556), wk = 0.0047170 k( 6) = ( 0.0000000 0.0000000 0.1325695), wk = 0.0047170 k( 7) = ( 0.0000000 0.0000000 0.1590835), wk = 0.0047170 k( 8) = ( 0.0000000 0.0000000 0.1855974), wk = 0.0047170 k( 9) = ( 0.0000000 0.0000000 0.2121113), wk = 0.0047170 k( 10) = ( 0.0000000 0.0000000 0.2386252), wk = 0.0047170 k( 11) = ( 0.0000000 0.0000000 0.2651391), wk = 0.0047170 k( 12) = ( 0.0000000 0.0000000 0.2916530), wk = 0.0047170 k( 13) = ( 0.0000000 0.0000000 0.3181669), wk = 0.0047170 k( 14) = ( 0.0000000 0.0000000 0.3446808), wk = 0.0047170 k( 15) = ( 0.0000000 0.0000000 0.3711947), wk = 0.0047170 k( 16) = ( 0.0000000 0.0000000 0.3977086), wk = 0.0047170 k( 17) = ( 0.0000000 0.0000000 0.4242226), wk = 0.0047170 k( 18) = ( 0.0000000 0.0000000 0.4507365), wk = 0.0047170 k( 19) = ( 0.0000000 0.0000000 0.4772504), wk = 0.0047170 k( 20) = ( 0.0000000 0.0000000 0.5037643), wk = 0.0047170 k( 21) = ( 0.0000000 0.0000000 0.5302782), wk = 0.0047170 k( 22) = ( 0.0000000 0.0000000 0.5302782), wk = 0.0047170 k( 23) = ( -0.0250000 0.0088310 0.5302782), wk = 0.0047170 k( 24) = ( -0.0500000 0.0176621 0.5302782), wk = 0.0047170 k( 25) = ( -0.0750000 0.0264931 0.5302782), wk = 0.0047170 k( 26) = ( -0.1000000 0.0353242 0.5302782), wk = 0.0047170 k( 27) = ( -0.1250000 0.0441552 0.5302782), wk = 0.0047170 k( 28) = ( -0.1500000 0.0529863 0.5302782), wk = 0.0047170 k( 29) = ( -0.1750000 0.0618173 0.5302782), wk = 0.0047170 k( 30) = ( -0.2000000 0.0706484 0.5302782), wk = 0.0047170 k( 31) = ( -0.2250000 0.0794794 0.5302782), wk = 0.0047170 k( 32) = ( -0.2500000 0.0883105 0.5302782), wk = 0.0047170 k( 33) = ( -0.2750000 0.0971415 0.5302782), wk = 0.0047170 k( 34) = ( -0.3000000 0.1059726 0.5302782), wk = 0.0047170 k( 35) = ( -0.3250000 0.1148036 0.5302782), wk = 0.0047170 k( 36) = ( -0.3500000 0.1236347 0.5302782), wk = 0.0047170 k( 37) = ( -0.3750000 0.1324657 0.5302782), wk = 0.0047170 k( 38) = ( -0.4000000 0.1412968 0.5302782), wk = 0.0047170 k( 39) = ( -0.4250000 0.1501278 0.5302782), wk = 0.0047170 k( 40) = ( -0.4500000 0.1589589 0.5302782), wk = 0.0047170 k( 41) = ( -0.4750000 0.1677899 0.5302782), wk = 0.0047170 k( 42) = ( -0.5000000 0.1766209 0.5302782), wk = 0.0047170 k( 43) = ( -0.5000000 0.1766209 0.5302782), wk = 0.0047170 k( 44) = ( -0.4821429 0.1703131 0.5113397), wk = 0.0047170 k( 45) = ( -0.4642857 0.1640052 0.4924012), wk = 0.0047170 k( 46) = ( -0.4464286 0.1576973 0.4734627), wk = 0.0047170 k( 47) = ( -0.4285714 0.1513894 0.4545242), wk = 0.0047170 k( 48) = ( -0.4107143 0.1450815 0.4355857), wk = 0.0047170 k( 49) = ( -0.3928571 0.1387736 0.4166471), wk = 0.0047170 k( 50) = ( -0.3750000 0.1324657 0.3977086), wk = 0.0047170 k( 51) = ( -0.3571429 0.1261578 0.3787701), wk = 0.0047170 k( 52) = ( -0.3392857 0.1198499 0.3598316), wk = 0.0047170 k( 53) = ( -0.3214286 0.1135420 0.3408931), wk = 0.0047170 k( 54) = ( -0.3035714 0.1072341 0.3219546), wk = 0.0047170 k( 55) = ( -0.2857143 0.1009263 0.3030161), wk = 0.0047170 k( 56) = ( -0.2678571 0.0946184 0.2840776), wk = 0.0047170 k( 57) = ( -0.2500000 0.0883105 0.2651391), wk = 0.0047170 k( 58) = ( -0.2321429 0.0820026 0.2462006), wk = 0.0047170 k( 59) = ( -0.2142857 0.0756947 0.2272621), wk = 0.0047170 k( 60) = ( -0.1964286 0.0693868 0.2083236), wk = 0.0047170 k( 61) = ( -0.1785714 0.0630789 0.1893851), wk = 0.0047170 k( 62) = ( -0.1607143 0.0567710 0.1704466), wk = 0.0047170 k( 63) = ( -0.1428571 0.0504631 0.1515081), wk = 0.0047170 k( 64) = ( -0.1250000 0.0441552 0.1325695), wk = 0.0047170 k( 65) = ( -0.1071429 0.0378473 0.1136310), wk = 0.0047170 k( 66) = ( -0.0892857 0.0315395 0.0946925), wk = 0.0047170 k( 67) = ( -0.0714286 0.0252316 0.0757540), wk = 0.0047170 k( 68) = ( -0.0535714 0.0189237 0.0568155), wk = 0.0047170 k( 69) = ( -0.0357143 0.0126158 0.0378770), wk = 0.0047170 k( 70) = ( -0.0178571 0.0063079 0.0189385), wk = 0.0047170 k( 71) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 73) = ( 0.0089254 0.0252672 -0.0000000), wk = 0.0047170 k( 74) = ( 0.0178509 0.0505344 -0.0000000), wk = 0.0047170 k( 75) = ( 0.0267763 0.0758015 -0.0000000), wk = 0.0047170 k( 76) = ( 0.0357017 0.1010687 -0.0000000), wk = 0.0047170 k( 77) = ( 0.0446271 0.1263359 -0.0000000), wk = 0.0047170 k( 78) = ( 0.0535526 0.1516031 -0.0000000), wk = 0.0047170 k( 79) = ( 0.0624780 0.1768702 -0.0000000), wk = 0.0047170 k( 80) = ( 0.0714034 0.2021374 -0.0000000), wk = 0.0047170 k( 81) = ( 0.0803288 0.2274046 -0.0000000), wk = 0.0047170 k( 82) = ( 0.0892543 0.2526718 -0.0000000), wk = 0.0047170 k( 83) = ( 0.0981797 0.2779390 -0.0000000), wk = 0.0047170 k( 84) = ( 0.1071051 0.3032061 -0.0000000), wk = 0.0047170 k( 85) = ( 0.1160305 0.3284733 -0.0000000), wk = 0.0047170 k( 86) = ( 0.1249560 0.3537405 -0.0000000), wk = 0.0047170 k( 87) = ( 0.1338814 0.3790077 -0.0000000), wk = 0.0047170 k( 88) = ( 0.1428068 0.4042749 -0.0000000), wk = 0.0047170 k( 89) = ( 0.1517323 0.4295421 -0.0000000), wk = 0.0047170 k( 90) = ( 0.1606577 0.4548092 -0.0000000), wk = 0.0047170 k( 91) = ( 0.1695831 0.4800764 -0.0000000), wk = 0.0047170 k( 92) = ( 0.1785085 0.5053436 -0.0000000), wk = 0.0047170 k( 93) = ( 0.1874339 0.5306108 -0.0000000), wk = 0.0047170 k( 94) = ( 0.1963594 0.5558780 -0.0000000), wk = 0.0047170 k( 95) = ( 0.2052848 0.5811451 -0.0000000), wk = 0.0047170 k( 96) = ( 0.2142102 0.6064123 -0.0000000), wk = 0.0047170 k( 97) = ( 0.2231356 0.6316795 -0.0000000), wk = 0.0047170 k( 98) = ( 0.2320611 0.6569467 -0.0000000), wk = 0.0047170 k( 99) = ( 0.2409865 0.6822139 -0.0000000), wk = 0.0047170 k( 100) = ( 0.2499119 0.7074810 -0.0000000), wk = 0.0047170 k( 101) = ( 0.2588374 0.7327482 -0.0000000), wk = 0.0047170 k( 102) = ( 0.2677628 0.7580154 -0.0000000), wk = 0.0047170 k( 103) = ( 0.2766882 0.7832826 -0.0000000), wk = 0.0047170 k( 104) = ( 0.2856136 0.8085497 -0.0000000), wk = 0.0047170 k( 105) = ( 0.2945391 0.8338169 -0.0000000), wk = 0.0047170 k( 106) = ( 0.3034645 0.8590841 -0.0000000), wk = 0.0047170 k( 107) = ( 0.3123899 0.8843513 -0.0000000), wk = 0.0047170 k( 108) = ( 0.3123899 0.8843513 -0.0000000), wk = 0.0047170 k( 109) = ( 0.3094190 0.8759408 0.0252513), wk = 0.0047170 k( 110) = ( 0.3064480 0.8675302 0.0505027), wk = 0.0047170 k( 111) = ( 0.3034771 0.8591197 0.0757540), wk = 0.0047170 k( 112) = ( 0.3005061 0.8507092 0.1010054), wk = 0.0047170 k( 113) = ( 0.2975352 0.8422987 0.1262567), wk = 0.0047170 k( 114) = ( 0.2945642 0.8338882 0.1515081), wk = 0.0047170 k( 115) = ( 0.2915933 0.8254776 0.1767594), wk = 0.0047170 k( 116) = ( 0.2886223 0.8170671 0.2020107), wk = 0.0047170 k( 117) = ( 0.2856514 0.8086566 0.2272621), wk = 0.0047170 k( 118) = ( 0.2826804 0.8002461 0.2525134), wk = 0.0047170 k( 119) = ( 0.2797095 0.7918355 0.2777648), wk = 0.0047170 k( 120) = ( 0.2767385 0.7834250 0.3030161), wk = 0.0047170 k( 121) = ( 0.2737676 0.7750145 0.3282675), wk = 0.0047170 k( 122) = ( 0.2707966 0.7666040 0.3535188), wk = 0.0047170 k( 123) = ( 0.2678257 0.7581935 0.3787701), wk = 0.0047170 k( 124) = ( 0.2648547 0.7497829 0.4040215), wk = 0.0047170 k( 125) = ( 0.2618838 0.7413724 0.4292728), wk = 0.0047170 k( 126) = ( 0.2589129 0.7329619 0.4545242), wk = 0.0047170 k( 127) = ( 0.2559419 0.7245514 0.4797755), wk = 0.0047170 k( 128) = ( 0.2529710 0.7161409 0.5050269), wk = 0.0047170 k( 129) = ( 0.2500000 0.7077303 0.5302782), wk = 0.0047170 k( 130) = ( 0.2500000 0.7077303 0.5302782), wk = 0.0047170 k( 131) = ( 0.2321429 0.7140382 0.5113397), wk = 0.0047170 k( 132) = ( 0.2142857 0.7203461 0.4924012), wk = 0.0047170 k( 133) = ( 0.1964286 0.7266540 0.4734627), wk = 0.0047170 k( 134) = ( 0.1785714 0.7329619 0.4545242), wk = 0.0047170 k( 135) = ( 0.1607143 0.7392698 0.4355857), wk = 0.0047170 k( 136) = ( 0.1428571 0.7455777 0.4166471), wk = 0.0047170 k( 137) = ( 0.1250000 0.7518856 0.3977086), wk = 0.0047170 k( 138) = ( 0.1071429 0.7581935 0.3787701), wk = 0.0047170 k( 139) = ( 0.0892857 0.7645014 0.3598316), wk = 0.0047170 k( 140) = ( 0.0714286 0.7708092 0.3408931), wk = 0.0047170 k( 141) = ( 0.0535714 0.7771171 0.3219546), wk = 0.0047170 k( 142) = ( 0.0357143 0.7834250 0.3030161), wk = 0.0047170 k( 143) = ( 0.0178571 0.7897329 0.2840776), wk = 0.0047170 k( 144) = ( 0.0000000 0.7960408 0.2651391), wk = 0.0047170 k( 145) = ( 0.0000000 0.7960408 0.2651391), wk = 0.0047170 k( 146) = ( -0.0195244 0.7905214 0.2817103), wk = 0.0047170 k( 147) = ( -0.0390487 0.7850020 0.2982815), wk = 0.0047170 k( 148) = ( -0.0585731 0.7794826 0.3148527), wk = 0.0047170 k( 149) = ( -0.0780975 0.7739632 0.3314239), wk = 0.0047170 k( 150) = ( -0.0976218 0.7684438 0.3479951), wk = 0.0047170 k( 151) = ( -0.1171462 0.7629244 0.3645663), wk = 0.0047170 k( 152) = ( -0.1366706 0.7574050 0.3811374), wk = 0.0047170 k( 153) = ( -0.1561950 0.7518856 0.3977086), wk = 0.0047170 k( 154) = ( -0.1757193 0.7463662 0.4142798), wk = 0.0047170 k( 155) = ( -0.1952437 0.7408468 0.4308510), wk = 0.0047170 k( 156) = ( -0.2147681 0.7353273 0.4474222), wk = 0.0047170 k( 157) = ( -0.2342924 0.7298079 0.4639934), wk = 0.0047170 k( 158) = ( -0.2538168 0.7242885 0.4805646), wk = 0.0047170 k( 159) = ( -0.2733412 0.7187691 0.4971358), wk = 0.0047170 k( 160) = ( -0.2928655 0.7132497 0.5137070), wk = 0.0047170 k( 161) = ( -0.3123899 0.7077303 0.5302782), wk = 0.0047170 k( 162) = ( -0.3123899 0.7077303 0.5302782), wk = 0.0047170 k( 163) = ( -0.3213237 0.6824394 0.5302782), wk = 0.0047170 k( 164) = ( -0.3302575 0.6571485 0.5302782), wk = 0.0047170 k( 165) = ( -0.3391914 0.6318576 0.5302782), wk = 0.0047170 k( 166) = ( -0.3481252 0.6065666 0.5302782), wk = 0.0047170 k( 167) = ( -0.3570590 0.5812757 0.5302782), wk = 0.0047170 k( 168) = ( -0.3659928 0.5559848 0.5302782), wk = 0.0047170 k( 169) = ( -0.3749266 0.5306939 0.5302782), wk = 0.0047170 k( 170) = ( -0.3838604 0.5054030 0.5302782), wk = 0.0047170 k( 171) = ( -0.3927942 0.4801120 0.5302782), wk = 0.0047170 k( 172) = ( -0.4017281 0.4548211 0.5302782), wk = 0.0047170 k( 173) = ( -0.4106619 0.4295302 0.5302782), wk = 0.0047170 k( 174) = ( -0.4195957 0.4042392 0.5302782), wk = 0.0047170 k( 175) = ( -0.4285295 0.3789483 0.5302782), wk = 0.0047170 k( 176) = ( -0.4374633 0.3536574 0.5302782), wk = 0.0047170 k( 177) = ( -0.4463971 0.3283665 0.5302782), wk = 0.0047170 k( 178) = ( -0.4553309 0.3030756 0.5302782), wk = 0.0047170 k( 179) = ( -0.4642648 0.2777846 0.5302782), wk = 0.0047170 k( 180) = ( -0.4731986 0.2524937 0.5302782), wk = 0.0047170 k( 181) = ( -0.4821324 0.2272028 0.5302782), wk = 0.0047170 k( 182) = ( -0.4910662 0.2019119 0.5302782), wk = 0.0047170 k( 183) = ( -0.5000000 0.1766209 0.5302782), wk = 0.0047170 k( 184) = ( 0.0000000 0.0000000 0.5302782), wk = 0.0047170 k( 185) = ( 0.0089286 0.0252761 0.5302782), wk = 0.0047170 k( 186) = ( 0.0178571 0.0505522 0.5302782), wk = 0.0047170 k( 187) = ( 0.0267857 0.0758282 0.5302782), wk = 0.0047170 k( 188) = ( 0.0357143 0.1011043 0.5302782), wk = 0.0047170 k( 189) = ( 0.0446429 0.1263804 0.5302782), wk = 0.0047170 k( 190) = ( 0.0535714 0.1516565 0.5302782), wk = 0.0047170 k( 191) = ( 0.0625000 0.1769326 0.5302782), wk = 0.0047170 k( 192) = ( 0.0714286 0.2022087 0.5302782), wk = 0.0047170 k( 193) = ( 0.0803571 0.2274847 0.5302782), wk = 0.0047170 k( 194) = ( 0.0892857 0.2527608 0.5302782), wk = 0.0047170 k( 195) = ( 0.0982143 0.2780369 0.5302782), wk = 0.0047170 k( 196) = ( 0.1071429 0.3033130 0.5302782), wk = 0.0047170 k( 197) = ( 0.1160714 0.3285891 0.5302782), wk = 0.0047170 k( 198) = ( 0.1250000 0.3538652 0.5302782), wk = 0.0047170 k( 199) = ( 0.1339286 0.3791412 0.5302782), wk = 0.0047170 k( 200) = ( 0.1428571 0.4044173 0.5302782), wk = 0.0047170 k( 201) = ( 0.1517857 0.4296934 0.5302782), wk = 0.0047170 k( 202) = ( 0.1607143 0.4549695 0.5302782), wk = 0.0047170 k( 203) = ( 0.1696429 0.4802456 0.5302782), wk = 0.0047170 k( 204) = ( 0.1785714 0.5055217 0.5302782), wk = 0.0047170 k( 205) = ( 0.1875000 0.5307977 0.5302782), wk = 0.0047170 k( 206) = ( 0.1964286 0.5560738 0.5302782), wk = 0.0047170 k( 207) = ( 0.2053571 0.5813499 0.5302782), wk = 0.0047170 k( 208) = ( 0.2142857 0.6066260 0.5302782), wk = 0.0047170 k( 209) = ( 0.2232143 0.6319021 0.5302782), wk = 0.0047170 k( 210) = ( 0.2321429 0.6571782 0.5302782), wk = 0.0047170 k( 211) = ( 0.2410714 0.6824543 0.5302782), wk = 0.0047170 k( 212) = ( 0.2500000 0.7077303 0.5302782), wk = 0.0047170 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 2) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0047170 k( 3) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0047170 k( 4) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0047170 k( 5) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0047170 k( 6) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0047170 k( 7) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0047170 k( 8) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0047170 k( 9) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0047170 k( 10) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0047170 k( 11) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0047170 k( 12) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0047170 k( 13) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0047170 k( 14) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0047170 k( 15) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0047170 k( 16) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0047170 k( 17) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0047170 k( 18) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0047170 k( 19) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0047170 k( 20) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0047170 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047170 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047170 k( 23) = ( -0.0250000 0.0250000 0.5000000), wk = 0.0047170 k( 24) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0047170 k( 25) = ( -0.0750000 0.0750000 0.5000000), wk = 0.0047170 k( 26) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0047170 k( 27) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0047170 k( 28) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0047170 k( 29) = ( -0.1750000 0.1750000 0.5000000), wk = 0.0047170 k( 30) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0047170 k( 31) = ( -0.2250000 0.2250000 0.5000000), wk = 0.0047170 k( 32) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0047170 k( 33) = ( -0.2750000 0.2750000 0.5000000), wk = 0.0047170 k( 34) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0047170 k( 35) = ( -0.3250000 0.3250000 0.5000000), wk = 0.0047170 k( 36) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0047170 k( 37) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0047170 k( 38) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0047170 k( 39) = ( -0.4250000 0.4250000 0.5000000), wk = 0.0047170 k( 40) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0047170 k( 41) = ( -0.4750000 0.4750000 0.5000000), wk = 0.0047170 k( 42) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0047170 k( 43) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0047170 k( 44) = ( -0.4821429 0.4821429 0.4821429), wk = 0.0047170 k( 45) = ( -0.4642857 0.4642857 0.4642857), wk = 0.0047170 k( 46) = ( -0.4464286 0.4464286 0.4464286), wk = 0.0047170 k( 47) = ( -0.4285714 0.4285714 0.4285714), wk = 0.0047170 k( 48) = ( -0.4107143 0.4107143 0.4107143), wk = 0.0047170 k( 49) = ( -0.3928571 0.3928571 0.3928571), wk = 0.0047170 k( 50) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0047170 k( 51) = ( -0.3571429 0.3571429 0.3571429), wk = 0.0047170 k( 52) = ( -0.3392857 0.3392857 0.3392857), wk = 0.0047170 k( 53) = ( -0.3214286 0.3214286 0.3214286), wk = 0.0047170 k( 54) = ( -0.3035714 0.3035714 0.3035714), wk = 0.0047170 k( 55) = ( -0.2857143 0.2857143 0.2857143), wk = 0.0047170 k( 56) = ( -0.2678571 0.2678571 0.2678571), wk = 0.0047170 k( 57) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0047170 k( 58) = ( -0.2321429 0.2321429 0.2321429), wk = 0.0047170 k( 59) = ( -0.2142857 0.2142857 0.2142857), wk = 0.0047170 k( 60) = ( -0.1964286 0.1964286 0.1964286), wk = 0.0047170 k( 61) = ( -0.1785714 0.1785714 0.1785714), wk = 0.0047170 k( 62) = ( -0.1607143 0.1607143 0.1607143), wk = 0.0047170 k( 63) = ( -0.1428571 0.1428571 0.1428571), wk = 0.0047170 k( 64) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0047170 k( 65) = ( -0.1071429 0.1071429 0.1071429), wk = 0.0047170 k( 66) = ( -0.0892857 0.0892857 0.0892857), wk = 0.0047170 k( 67) = ( -0.0714286 0.0714286 0.0714286), wk = 0.0047170 k( 68) = ( -0.0535714 0.0535714 0.0535714), wk = 0.0047170 k( 69) = ( -0.0357143 0.0357143 0.0357143), wk = 0.0047170 k( 70) = ( -0.0178571 0.0178571 0.0178571), wk = 0.0047170 k( 71) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 73) = ( 0.0089254 0.0089254 -0.0089254), wk = 0.0047170 k( 74) = ( 0.0178509 0.0178509 -0.0178509), wk = 0.0047170 k( 75) = ( 0.0267763 0.0267763 -0.0267763), wk = 0.0047170 k( 76) = ( 0.0357017 0.0357017 -0.0357017), wk = 0.0047170 k( 77) = ( 0.0446271 0.0446271 -0.0446271), wk = 0.0047170 k( 78) = ( 0.0535526 0.0535526 -0.0535526), wk = 0.0047170 k( 79) = ( 0.0624780 0.0624780 -0.0624780), wk = 0.0047170 k( 80) = ( 0.0714034 0.0714034 -0.0714034), wk = 0.0047170 k( 81) = ( 0.0803288 0.0803288 -0.0803288), wk = 0.0047170 k( 82) = ( 0.0892543 0.0892543 -0.0892543), wk = 0.0047170 k( 83) = ( 0.0981797 0.0981797 -0.0981797), wk = 0.0047170 k( 84) = ( 0.1071051 0.1071051 -0.1071051), wk = 0.0047170 k( 85) = ( 0.1160305 0.1160305 -0.1160305), wk = 0.0047170 k( 86) = ( 0.1249560 0.1249560 -0.1249560), wk = 0.0047170 k( 87) = ( 0.1338814 0.1338814 -0.1338814), wk = 0.0047170 k( 88) = ( 0.1428068 0.1428068 -0.1428068), wk = 0.0047170 k( 89) = ( 0.1517323 0.1517323 -0.1517323), wk = 0.0047170 k( 90) = ( 0.1606577 0.1606577 -0.1606577), wk = 0.0047170 k( 91) = ( 0.1695831 0.1695831 -0.1695831), wk = 0.0047170 k( 92) = ( 0.1785085 0.1785085 -0.1785085), wk = 0.0047170 k( 93) = ( 0.1874339 0.1874340 -0.1874340), wk = 0.0047170 k( 94) = ( 0.1963594 0.1963594 -0.1963594), wk = 0.0047170 k( 95) = ( 0.2052848 0.2052848 -0.2052848), wk = 0.0047170 k( 96) = ( 0.2142102 0.2142102 -0.2142102), wk = 0.0047170 k( 97) = ( 0.2231356 0.2231356 -0.2231356), wk = 0.0047170 k( 98) = ( 0.2320611 0.2320611 -0.2320611), wk = 0.0047170 k( 99) = ( 0.2409865 0.2409865 -0.2409865), wk = 0.0047170 k( 100) = ( 0.2499119 0.2499119 -0.2499119), wk = 0.0047170 k( 101) = ( 0.2588374 0.2588374 -0.2588374), wk = 0.0047170 k( 102) = ( 0.2677628 0.2677628 -0.2677628), wk = 0.0047170 k( 103) = ( 0.2766882 0.2766882 -0.2766882), wk = 0.0047170 k( 104) = ( 0.2856136 0.2856136 -0.2856136), wk = 0.0047170 k( 105) = ( 0.2945391 0.2945391 -0.2945391), wk = 0.0047170 k( 106) = ( 0.3034645 0.3034645 -0.3034645), wk = 0.0047170 k( 107) = ( 0.3123899 0.3123899 -0.3123899), wk = 0.0047170 k( 108) = ( 0.3123899 0.3123899 -0.3123899), wk = 0.0047170 k( 109) = ( 0.3094190 0.3094190 -0.2856094), wk = 0.0047170 k( 110) = ( 0.3064480 0.3064480 -0.2588290), wk = 0.0047170 k( 111) = ( 0.3034771 0.3034771 -0.2320485), wk = 0.0047170 k( 112) = ( 0.3005061 0.3005061 -0.2052680), wk = 0.0047170 k( 113) = ( 0.2975352 0.2975352 -0.1784876), wk = 0.0047170 k( 114) = ( 0.2945642 0.2945642 -0.1517071), wk = 0.0047170 k( 115) = ( 0.2915933 0.2915933 -0.1249266), wk = 0.0047170 k( 116) = ( 0.2886223 0.2886223 -0.0981461), wk = 0.0047170 k( 117) = ( 0.2856514 0.2856514 -0.0713657), wk = 0.0047170 k( 118) = ( 0.2826804 0.2826804 -0.0445852), wk = 0.0047170 k( 119) = ( 0.2797095 0.2797095 -0.0178047), wk = 0.0047170 k( 120) = ( 0.2767385 0.2767385 0.0089757), wk = 0.0047170 k( 121) = ( 0.2737676 0.2737676 0.0357562), wk = 0.0047170 k( 122) = ( 0.2707966 0.2707966 0.0625367), wk = 0.0047170 k( 123) = ( 0.2678257 0.2678257 0.0893172), wk = 0.0047170 k( 124) = ( 0.2648547 0.2648547 0.1160976), wk = 0.0047170 k( 125) = ( 0.2618838 0.2618838 0.1428781), wk = 0.0047170 k( 126) = ( 0.2589129 0.2589129 0.1696586), wk = 0.0047170 k( 127) = ( 0.2559419 0.2559419 0.1964391), wk = 0.0047170 k( 128) = ( 0.2529710 0.2529709 0.2232195), wk = 0.0047170 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047170 k( 130) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047170 k( 131) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0047170 k( 132) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0047170 k( 133) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0047170 k( 134) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0047170 k( 135) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0047170 k( 136) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0047170 k( 137) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0047170 k( 138) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0047170 k( 139) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0047170 k( 140) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0047170 k( 141) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0047170 k( 142) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0047170 k( 143) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0047170 k( 144) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047170 k( 145) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047170 k( 146) = ( -0.0195244 0.5117256 0.0195244), wk = 0.0047170 k( 147) = ( -0.0390487 0.5234513 0.0390487), wk = 0.0047170 k( 148) = ( -0.0585731 0.5351769 0.0585731), wk = 0.0047170 k( 149) = ( -0.0780975 0.5469025 0.0780975), wk = 0.0047170 k( 150) = ( -0.0976218 0.5586281 0.0976218), wk = 0.0047170 k( 151) = ( -0.1171462 0.5703538 0.1171462), wk = 0.0047170 k( 152) = ( -0.1366706 0.5820794 0.1366706), wk = 0.0047170 k( 153) = ( -0.1561950 0.5938050 0.1561950), wk = 0.0047170 k( 154) = ( -0.1757193 0.6055307 0.1757193), wk = 0.0047170 k( 155) = ( -0.1952437 0.6172563 0.1952437), wk = 0.0047170 k( 156) = ( -0.2147681 0.6289819 0.2147681), wk = 0.0047170 k( 157) = ( -0.2342924 0.6407076 0.2342924), wk = 0.0047170 k( 158) = ( -0.2538168 0.6524332 0.2538168), wk = 0.0047170 k( 159) = ( -0.2733412 0.6641588 0.2733412), wk = 0.0047170 k( 160) = ( -0.2928655 0.6758844 0.2928656), wk = 0.0047170 k( 161) = ( -0.3123899 0.6876101 0.3123899), wk = 0.0047170 k( 162) = ( -0.3123899 0.6876101 0.3123899), wk = 0.0047170 k( 163) = ( -0.3213237 0.6786763 0.3213237), wk = 0.0047170 k( 164) = ( -0.3302575 0.6697425 0.3302575), wk = 0.0047170 k( 165) = ( -0.3391914 0.6608086 0.3391914), wk = 0.0047170 k( 166) = ( -0.3481252 0.6518748 0.3481252), wk = 0.0047170 k( 167) = ( -0.3570590 0.6429410 0.3570590), wk = 0.0047170 k( 168) = ( -0.3659928 0.6340072 0.3659928), wk = 0.0047170 k( 169) = ( -0.3749266 0.6250734 0.3749266), wk = 0.0047170 k( 170) = ( -0.3838604 0.6161396 0.3838604), wk = 0.0047170 k( 171) = ( -0.3927942 0.6072058 0.3927942), wk = 0.0047170 k( 172) = ( -0.4017281 0.5982719 0.4017281), wk = 0.0047170 k( 173) = ( -0.4106619 0.5893381 0.4106619), wk = 0.0047170 k( 174) = ( -0.4195957 0.5804043 0.4195957), wk = 0.0047170 k( 175) = ( -0.4285295 0.5714705 0.4285295), wk = 0.0047170 k( 176) = ( -0.4374633 0.5625367 0.4374633), wk = 0.0047170 k( 177) = ( -0.4463971 0.5536029 0.4463971), wk = 0.0047170 k( 178) = ( -0.4553309 0.5446691 0.4553309), wk = 0.0047170 k( 179) = ( -0.4642648 0.5357352 0.4642648), wk = 0.0047170 k( 180) = ( -0.4731986 0.5268014 0.4731986), wk = 0.0047170 k( 181) = ( -0.4821324 0.5178676 0.4821324), wk = 0.0047170 k( 182) = ( -0.4910662 0.5089338 0.4910662), wk = 0.0047170 k( 183) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0047170 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047170 k( 185) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0047170 k( 186) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0047170 k( 187) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0047170 k( 188) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0047170 k( 189) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0047170 k( 190) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0047170 k( 191) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0047170 k( 192) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0047170 k( 193) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0047170 k( 194) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0047170 k( 195) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0047170 k( 196) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0047170 k( 197) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0047170 k( 198) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0047170 k( 199) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0047170 k( 200) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0047170 k( 201) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0047170 k( 202) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0047170 k( 203) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0047170 k( 204) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0047170 k( 205) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0047170 k( 206) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0047170 k( 207) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0047170 k( 208) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0047170 k( 209) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0047170 k( 210) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0047170 k( 211) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0047170 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047170 Dense grid: 156479 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 117737 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.55 Mb ( 438, 82) NL pseudopotentials 1.10 Mb ( 219, 328) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2176) G-vector shells 0.01 Mb ( 995) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.19 Mb ( 438, 328) Each subspace H/S matrix 0.04 Mb ( 54, 54) Each matrix 0.82 Mb ( 328, 2, 82) The potential is recalculated from file : ./Zr3Sb.save/charge-density.dat Starting wfc are 248 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.9 secs Computing kpt #: 2 total cpu time spent up to now is 12.1 secs Computing kpt #: 3 total cpu time spent up to now is 16.5 secs Computing kpt #: 4 total cpu time spent up to now is 20.8 secs Computing kpt #: 5 total cpu time spent up to now is 25.2 secs Computing kpt #: 6 total cpu time spent up to now is 29.6 secs Computing kpt #: 7 total cpu time spent up to now is 34.3 secs Computing kpt #: 8 total cpu time spent up to now is 38.7 secs Computing kpt #: 9 total cpu time spent up to now is 43.4 secs Computing kpt #: 10 total cpu time spent up to now is 48.1 secs Computing kpt #: 11 total cpu time spent up to now is 52.9 secs Computing kpt #: 12 total cpu time spent up to now is 57.8 secs Computing kpt #: 13 total cpu time spent up to now is 63.2 secs Computing kpt #: 14 total cpu time spent up to now is 68.8 secs Computing kpt #: 15 total cpu time spent up to now is 75.5 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.5 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.6 secs Computing kpt #: 18 total cpu time spent up to now is 96.3 secs Computing kpt #: 19 total cpu time spent up to now is 101.3 secs Computing kpt #: 20 total cpu time spent up to now is 106.9 secs Computing kpt #: 21 total cpu time spent up to now is 111.6 secs Computing kpt #: 22 total cpu time spent up to now is 116.3 secs Computing kpt #: 23 total cpu time spent up to now is 121.1 secs Computing kpt #: 24 total cpu time spent up to now is 125.9 secs Computing kpt #: 25 total cpu time spent up to now is 130.6 secs Computing kpt #: 26 total cpu time spent up to now is 135.4 secs Computing kpt #: 27 total cpu time spent up to now is 140.3 secs Computing kpt #: 28 total cpu time spent up to now is 145.7 secs Computing kpt #: 29 total cpu time spent up to now is 151.1 secs Computing kpt #: 30 total cpu time spent up to now is 156.5 secs Computing kpt #: 31 total cpu time spent up to now is 161.4 secs Computing kpt #: 32 total cpu time spent up to now is 166.2 secs Computing kpt #: 33 total cpu time spent up to now is 170.9 secs Computing kpt #: 34 total cpu time spent up to now is 175.6 secs Computing kpt #: 35 total cpu time spent up to now is 180.5 secs Computing kpt #: 36 total cpu time spent up to now is 185.2 secs Computing kpt #: 37 total cpu time spent up to now is 190.1 secs Computing kpt #: 38 total cpu time spent up to now is 194.7 secs Computing kpt #: 39 total cpu time spent up to now is 200.3 secs Computing kpt #: 40 total cpu time spent up to now is 204.9 secs Computing kpt #: 41 total cpu time spent up to now is 210.3 secs Computing kpt #: 42 total cpu time spent up to now is 215.1 secs Computing kpt #: 43 total cpu time spent up to now is 219.9 secs Computing kpt #: 44 total cpu time spent up to now is 224.7 secs Computing kpt #: 45 total cpu time spent up to now is 229.5 secs Computing kpt #: 46 total cpu time spent up to now is 234.3 secs Computing kpt #: 47 total cpu time spent up to now is 239.0 secs Computing kpt #: 48 total cpu time spent up to now is 243.7 secs Computing kpt #: 49 total cpu time spent up to now is 249.0 secs Computing kpt #: 50 total cpu time spent up to now is 253.6 secs Computing kpt #: 51 total cpu time spent up to now is 258.2 secs Computing kpt #: 52 total cpu time spent up to now is 262.7 secs Computing kpt #: 53 total cpu time spent up to now is 267.1 secs Computing kpt #: 54 total cpu time spent up to now is 271.4 secs Computing kpt #: 55 total cpu time spent up to now is 275.8 secs Computing kpt #: 56 total cpu time spent up to now is 280.3 secs Computing kpt #: 57 total cpu time spent up to now is 285.0 secs Computing kpt #: 58 total cpu time spent up to now is 289.4 secs Computing kpt #: 59 total cpu time spent up to now is 293.8 secs Computing kpt #: 60 total cpu time spent up to now is 298.1 secs Computing kpt #: 61 total cpu time spent up to now is 302.5 secs Computing kpt #: 62 total cpu time spent up to now is 307.2 secs Computing kpt #: 63 total cpu time spent up to now is 311.5 secs Computing kpt #: 64 total cpu time spent up to now is 315.9 secs Computing kpt #: 65 total cpu time spent up to now is 320.3 secs Computing kpt #: 66 total cpu time spent up to now is 324.6 secs Computing kpt #: 67 total cpu time spent up to now is 329.1 secs Computing kpt #: 68 total cpu time spent up to now is 333.5 secs Computing kpt #: 69 total cpu time spent up to now is 337.9 secs Computing kpt #: 70 total cpu time spent up to now is 342.3 secs Computing kpt #: 71 total cpu time spent up to now is 346.7 secs Computing kpt #: 72 total cpu time spent up to now is 351.1 secs Computing kpt #: 73 total cpu time spent up to now is 355.5 secs Computing kpt #: 74 total cpu time spent up to now is 359.9 secs Computing kpt #: 75 total cpu time spent up to now is 364.3 secs Computing kpt #: 76 total cpu time spent up to now is 369.0 secs Computing kpt #: 77 total cpu time spent up to now is 375.5 secs Computing kpt #: 78 total cpu time spent up to now is 380.6 secs Computing kpt #: 79 total cpu time spent up to now is 385.6 secs Computing kpt #: 80 total cpu time spent up to now is 390.6 secs Computing kpt #: 81 total cpu time spent up to now is 395.5 secs Computing kpt #: 82 total cpu time spent up to now is 400.4 secs Computing kpt #: 83 total cpu time spent up to now is 405.4 secs Computing kpt #: 84 total cpu time spent up to now is 410.1 secs Computing kpt #: 85 total cpu time spent up to now is 414.9 secs Computing kpt #: 86 total cpu time spent up to now is 419.9 secs Computing kpt #: 87 total cpu time spent up to now is 426.5 secs Computing kpt #: 88 total cpu time spent up to now is 433.5 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.8 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 448.0 secs Computing kpt #: 91 total cpu time spent up to now is 453.0 secs Computing kpt #: 92 total cpu time spent up to now is 457.6 secs Computing kpt #: 93 total cpu time spent up to now is 462.1 secs Computing kpt #: 94 total cpu time spent up to now is 466.4 secs Computing kpt #: 95 total cpu time spent up to now is 470.8 secs Computing kpt #: 96 total cpu time spent up to now is 475.2 secs Computing kpt #: 97 total cpu time spent up to now is 479.5 secs Computing kpt #: 98 total cpu time spent up to now is 483.8 secs Computing kpt #: 99 total cpu time spent up to now is 489.1 secs Computing kpt #: 100 total cpu time spent up to now is 493.6 secs Computing kpt #: 101 total cpu time spent up to now is 498.0 secs Computing kpt #: 102 total cpu time spent up to now is 502.3 secs Computing kpt #: 103 total cpu time spent up to now is 506.7 secs Computing kpt #: 104 total cpu time spent up to now is 511.4 secs Computing kpt #: 105 total cpu time spent up to now is 516.7 secs Computing kpt #: 106 total cpu time spent up to now is 523.5 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.2 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 538.4 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 545.6 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 552.7 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 559.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 567.2 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 574.4 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 581.6 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 589.0 secs Computing kpt #: 116 total cpu time spent up to now is 595.7 secs Computing kpt #: 117 total cpu time spent up to now is 601.7 secs Computing kpt #: 118 total cpu time spent up to now is 606.5 secs Computing kpt #: 119 total cpu time spent up to now is 611.9 secs Computing kpt #: 120 total cpu time spent up to now is 617.3 secs Computing kpt #: 121 total cpu time spent up to now is 622.7 secs Computing kpt #: 122 total cpu time spent up to now is 628.1 secs Computing kpt #: 123 total cpu time spent up to now is 633.4 secs Computing kpt #: 124 total cpu time spent up to now is 638.9 secs Computing kpt #: 125 total cpu time spent up to now is 644.3 secs Computing kpt #: 126 total cpu time spent up to now is 649.9 secs Computing kpt #: 127 total cpu time spent up to now is 655.3 secs Computing kpt #: 128 total cpu time spent up to now is 661.0 secs Computing kpt #: 129 total cpu time spent up to now is 666.3 secs Computing kpt #: 130 total cpu time spent up to now is 671.8 secs Computing kpt #: 131 total cpu time spent up to now is 676.8 secs Computing kpt #: 132 total cpu time spent up to now is 682.2 secs Computing kpt #: 133 total cpu time spent up to now is 688.2 secs Computing kpt #: 134 total cpu time spent up to now is 693.9 secs Computing kpt #: 135 total cpu time spent up to now is 699.7 secs Computing kpt #: 136 total cpu time spent up to now is 705.3 secs Computing kpt #: 137 total cpu time spent up to now is 711.1 secs Computing kpt #: 138 total cpu time spent up to now is 716.8 secs Computing kpt #: 139 total cpu time spent up to now is 722.3 secs Computing kpt #: 140 total cpu time spent up to now is 728.6 secs Computing kpt #: 141 total cpu time spent up to now is 734.6 secs Computing kpt #: 142 total cpu time spent up to now is 740.1 secs Computing kpt #: 143 total cpu time spent up to now is 745.5 secs Computing kpt #: 144 total cpu time spent up to now is 751.0 secs Computing kpt #: 145 total cpu time spent up to now is 756.7 secs Computing kpt #: 146 total cpu time spent up to now is 762.4 secs Computing kpt #: 147 total cpu time spent up to now is 767.8 secs Computing kpt #: 148 total cpu time spent up to now is 773.9 secs Computing kpt #: 149 total cpu time spent up to now is 780.2 secs Computing kpt #: 150 total cpu time spent up to now is 785.5 secs Computing kpt #: 151 total cpu time spent up to now is 791.6 secs Computing kpt #: 152 total cpu time spent up to now is 797.4 secs Computing kpt #: 153 total cpu time spent up to now is 805.4 secs Computing kpt #: 154 total cpu time spent up to now is 812.0 secs Computing kpt #: 155 total cpu time spent up to now is 818.8 secs Computing kpt #: 156 total cpu time spent up to now is 826.0 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 833.2 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 840.4 secs Computing kpt #: 159 total cpu time spent up to now is 847.4 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 854.6 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 861.8 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.0 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 876.2 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 883.6 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 890.9 secs Computing kpt #: 166 total cpu time spent up to now is 897.3 secs Computing kpt #: 167 total cpu time spent up to now is 904.1 secs Computing kpt #: 168 total cpu time spent up to now is 910.5 secs Computing kpt #: 169 total cpu time spent up to now is 915.9 secs Computing kpt #: 170 total cpu time spent up to now is 920.7 secs Computing kpt #: 171 total cpu time spent up to now is 925.4 secs Computing kpt #: 172 total cpu time spent up to now is 930.0 secs Computing kpt #: 173 total cpu time spent up to now is 934.9 secs Computing kpt #: 174 total cpu time spent up to now is 939.7 secs Computing kpt #: 175 total cpu time spent up to now is 945.6 secs Computing kpt #: 176 total cpu time spent up to now is 950.2 secs Computing kpt #: 177 total cpu time spent up to now is 954.8 secs Computing kpt #: 178 total cpu time spent up to now is 959.5 secs Computing kpt #: 179 total cpu time spent up to now is 964.4 secs Computing kpt #: 180 total cpu time spent up to now is 969.7 secs Computing kpt #: 181 total cpu time spent up to now is 974.4 secs Computing kpt #: 182 total cpu time spent up to now is 980.6 secs Computing kpt #: 183 total cpu time spent up to now is 985.3 secs Computing kpt #: 184 total cpu time spent up to now is 990.0 secs Computing kpt #: 185 total cpu time spent up to now is 994.7 secs Computing kpt #: 186 total cpu time spent up to now is 999.4 secs Computing kpt #: 187 total cpu time spent up to now is 1004.2 secs Computing kpt #: 188 total cpu time spent up to now is 1009.1 secs Computing kpt #: 189 total cpu time spent up to now is 1013.9 secs Computing kpt #: 190 total cpu time spent up to now is 1019.5 secs Computing kpt #: 191 total cpu time spent up to now is 1025.3 secs Computing kpt #: 192 total cpu time spent up to now is 1032.2 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1039.4 secs Computing kpt #: 194 total cpu time spent up to now is 1045.6 secs Computing kpt #: 195 total cpu time spent up to now is 1051.8 secs Computing kpt #: 196 total cpu time spent up to now is 1057.3 secs Computing kpt #: 197 total cpu time spent up to now is 1063.0 secs Computing kpt #: 198 total cpu time spent up to now is 1069.1 secs Computing kpt #: 199 total cpu time spent up to now is 1076.0 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1083.3 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1090.6 secs Computing kpt #: 202 total cpu time spent up to now is 1096.8 secs Computing kpt #: 203 total cpu time spent up to now is 1101.5 secs Computing kpt #: 204 total cpu time spent up to now is 1107.0 secs Computing kpt #: 205 total cpu time spent up to now is 1111.7 secs Computing kpt #: 206 total cpu time spent up to now is 1117.2 secs Computing kpt #: 207 total cpu time spent up to now is 1122.7 secs Computing kpt #: 208 total cpu time spent up to now is 1128.4 secs Computing kpt #: 209 total cpu time spent up to now is 1134.0 secs Computing kpt #: 210 total cpu time spent up to now is 1139.5 secs Computing kpt #: 211 total cpu time spent up to now is 1144.9 secs Computing kpt #: 212 total cpu time spent up to now is 1150.3 secs ethr = 1.47E-08, avg # of iterations = 63.8 total cpu time spent up to now is 1150.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14673 PWs) bands (ev): -2.0199 -2.0199 -1.2503 -1.2503 -1.2498 -1.2498 -1.0807 -1.0807 3.8118 3.8118 3.9405 3.9405 4.5817 4.5817 4.7705 4.7705 5.1496 5.1496 5.1658 5.1658 5.2289 5.2289 5.5406 5.5406 5.6762 5.6762 5.7461 5.7461 5.7628 5.7628 5.8782 5.8782 6.3714 6.3714 7.1028 7.1028 7.1976 7.1976 7.2739 7.2739 7.3536 7.3536 7.3727 7.3727 7.5532 7.5532 7.6341 7.6341 7.6408 7.6408 7.7835 7.7835 7.8929 7.8929 7.8974 7.8974 7.9365 7.9365 8.0236 8.0236 8.2078 8.2078 8.3909 8.3909 8.3921 8.3921 8.4269 8.4269 8.8811 8.8811 8.9418 8.9418 9.1503 9.1503 9.1738 9.1738 9.3181 9.3181 9.7214 9.7214 9.7262 9.7262 k = 0.0000 0.0000 0.0265 ( 14671 PWs) bands (ev): -2.0191 -2.0190 -1.2515 -1.2512 -1.2498 -1.2497 -1.0808 -1.0805 3.8120 3.8136 3.9408 3.9419 4.5776 4.5848 4.7667 4.7733 5.1409 5.1496 5.1605 5.1727 5.2193 5.2416 5.5296 5.5470 5.6716 5.6804 5.7354 5.7412 5.7543 5.7773 5.8756 5.8836 6.3774 6.3786 7.1016 7.1025 7.1902 7.1973 7.2731 7.2736 7.3557 7.3564 7.3717 7.3800 7.5519 7.5523 7.6339 7.6352 7.6413 7.6414 7.7816 7.7835 7.8890 7.8947 7.8971 7.8979 7.9377 7.9429 8.0235 8.0239 8.2056 8.2080 8.3878 8.3908 8.3937 8.3955 8.4246 8.4317 8.8790 8.8805 8.9386 8.9402 9.1491 9.1518 9.1701 9.1776 9.3183 9.3242 9.7158 9.7227 9.7233 9.7276 k = 0.0000 0.0000 0.0530 ( 14655 PWs) bands (ev): -2.0165 -2.0164 -1.2554 -1.2550 -1.2491 -1.2490 -1.0807 -1.0803 3.8142 3.8173 3.9429 3.9450 4.5726 4.5868 4.7620 4.7752 5.1252 5.1441 5.1594 5.1713 5.2199 5.2533 5.5147 5.5478 5.6669 5.6837 5.7147 5.7295 5.7468 5.7932 5.8745 5.8912 6.3958 6.3980 7.0986 7.1001 7.1785 7.1903 7.2713 7.2725 7.3597 7.3608 7.3783 7.3945 7.5484 7.5492 7.6345 7.6365 7.6432 7.6440 7.7783 7.7817 7.8840 7.8922 7.8993 7.8998 7.9462 7.9542 8.0236 8.0245 8.2020 8.2065 8.3838 8.3890 8.3980 8.4014 8.4255 8.4380 8.8744 8.8773 8.9311 8.9341 9.1474 9.1519 9.1679 9.1815 9.3251 9.3358 9.7049 9.7140 9.7246 9.7296 k = 0.0000 0.0000 0.0795 ( 14660 PWs) bands (ev): -2.0122 -2.0120 -1.2619 -1.2612 -1.2478 -1.2477 -1.0806 -1.0800 3.8183 3.8229 3.9468 3.9499 4.5666 4.5876 4.7569 4.7760 5.1073 5.1326 5.1576 5.1657 5.2287 5.2619 5.4958 5.5408 5.6615 5.6809 5.6948 5.7180 5.7383 5.8092 5.8734 5.8995 6.4245 6.4278 7.0932 7.0948 7.1675 7.1807 7.2687 7.2707 7.3617 7.3641 7.3936 7.4138 7.5432 7.5440 7.6350 7.6373 7.6468 7.6491 7.7738 7.7783 7.8787 7.8876 7.9022 7.9033 7.9592 7.9677 8.0248 8.0263 8.1981 8.2045 8.3790 8.3853 8.4041 8.4086 8.4303 8.4453 8.8679 8.8720 8.9206 8.9248 9.1441 9.1479 9.1694 9.1859 9.3377 9.3515 9.6898 9.7001 9.7269 9.7332 k = 0.0000 0.0000 0.1061 ( 14658 PWs) bands (ev): -2.0062 -2.0060 -1.2706 -1.2698 -1.2461 -1.2458 -1.0805 -1.0798 3.8244 3.8304 3.9523 3.9564 4.5596 4.5867 4.7514 4.7761 5.0885 5.1152 5.1540 5.1633 5.2390 5.2665 5.4728 5.5244 5.6494 5.6659 5.6926 5.7077 5.7328 5.8243 5.8722 5.9070 6.4610 6.4653 7.0844 7.0870 7.1606 7.1725 7.2656 7.2686 7.3634 7.3670 7.4125 7.4343 7.5365 7.5374 7.6353 7.6377 7.6527 7.6563 7.7685 7.7734 7.8734 7.8827 7.9057 7.9070 7.9732 7.9804 8.0286 8.0314 8.1953 8.2033 8.3734 8.3804 8.4110 8.4162 8.4382 8.4534 8.8603 8.8652 8.9086 8.9136 9.1379 9.1402 9.1733 9.1907 9.3548 9.3702 9.6719 9.6825 9.7308 9.7385 k = 0.0000 0.0000 0.1326 ( 14652 PWs) bands (ev): -1.9985 -1.9983 -1.2815 -1.2806 -1.2439 -1.2436 -1.0805 -1.0797 3.8323 3.8398 3.9595 3.9647 4.5512 4.5840 4.7461 4.7758 5.0691 5.0948 5.1500 5.1623 5.2476 5.2661 5.4459 5.4996 5.6244 5.6627 5.6939 5.6983 5.7315 5.8372 5.8718 5.9135 6.5027 6.5082 7.0728 7.0776 7.1581 7.1678 7.2625 7.2666 7.3654 7.3704 7.4313 7.4537 7.5286 7.5297 7.6355 7.6379 7.6605 7.6652 7.7624 7.7673 7.8679 7.8776 7.9091 7.9105 7.9852 7.9890 8.0368 8.0419 8.1948 8.2041 8.3670 8.3751 8.4178 8.4238 8.4480 8.4618 8.8524 8.8579 8.8963 8.9020 9.1277 9.1309 9.1777 9.1956 9.3747 9.3905 9.6527 9.6629 9.7368 9.7461 k = 0.0000 0.0000 0.1591 ( 14648 PWs) bands (ev): -1.9893 -1.9890 -1.2944 -1.2934 -1.2412 -1.2408 -1.0807 -1.0798 3.8421 3.8509 3.9683 3.9744 4.5415 4.5789 4.7413 4.7756 5.0491 5.0740 5.1462 5.1613 5.2511 5.2613 5.4165 5.4696 5.5987 5.6644 5.6885 5.6968 5.7331 5.8459 5.8742 5.9187 6.5474 6.5542 7.0608 7.0677 7.1584 7.1669 7.2599 7.2652 7.3683 7.3744 7.4478 7.4703 7.5198 7.5215 7.6357 7.6381 7.6702 7.6757 7.7558 7.7602 7.8620 7.8722 7.9118 7.9136 7.9930 7.9940 8.0499 8.0574 8.1971 8.2075 8.3599 8.3696 8.4246 8.4315 8.4581 8.4701 8.8451 8.8509 8.8847 8.8906 9.1142 9.1198 9.1816 9.2001 9.3960 9.4114 9.6334 9.6426 9.7454 9.7564 k = 0.0000 0.0000 0.1856 ( 14664 PWs) bands (ev): -1.9786 -1.9783 -1.3090 -1.3079 -1.2381 -1.2377 -1.0812 -1.0802 3.8537 3.8636 3.9785 3.9856 4.5302 4.5710 4.7374 4.7762 5.0282 5.0540 5.1424 5.1600 5.2425 5.2559 5.3872 5.4385 5.5753 5.6685 5.6797 5.7000 5.7362 5.8494 5.8805 5.9229 6.5934 6.6018 7.0501 7.0586 7.1598 7.1696 7.2584 7.2650 7.3721 7.3794 7.4606 7.4825 7.5113 7.5134 7.6360 7.6379 7.6816 7.6875 7.7490 7.7524 7.8555 7.8664 7.9134 7.9160 7.9957 7.9997 8.0659 8.0745 8.2025 8.2137 8.3525 8.3640 8.4315 8.4392 8.4676 8.4778 8.8394 8.8453 8.8741 8.8801 9.0981 9.1063 9.1847 9.2038 9.4173 9.4323 9.6151 9.6231 9.7569 9.7695 k = 0.0000 0.0000 0.2121 ( 14696 PWs) bands (ev): -1.9665 -1.9661 -1.3252 -1.3241 -1.2347 -1.2343 -1.0819 -1.0809 3.8669 3.8779 3.9901 3.9982 4.5171 4.5600 4.7349 4.7781 5.0063 5.0355 5.1382 5.1580 5.2230 5.2456 5.3620 5.4093 5.5548 5.6685 5.6767 5.7037 5.7398 5.8498 5.8887 5.9263 6.6391 6.6493 7.0417 7.0510 7.1620 7.1746 7.2589 7.2668 7.3771 7.3853 7.4683 7.4867 7.5062 7.5071 7.6359 7.6374 7.6941 7.6998 7.7431 7.7448 7.8483 7.8598 7.9141 7.9177 7.9980 8.0050 8.0824 8.0909 8.2104 8.2222 8.3450 8.3583 8.4385 8.4468 8.4761 8.4845 8.8360 8.8417 8.8648 8.8706 9.0799 9.0904 9.1872 9.2067 9.4378 9.4524 9.5989 9.6057 9.7712 9.7855 k = 0.0000 0.0000 0.2386 ( 14692 PWs) bands (ev): -1.9531 -1.9527 -1.3427 -1.3415 -1.2310 -1.2305 -1.0829 -1.0819 3.8817 3.8936 4.0028 4.0119 4.5023 4.5460 4.7339 4.7819 4.9837 5.0184 5.1330 5.1551 5.1970 5.2257 5.3435 5.3834 5.5376 5.6598 5.6834 5.7078 5.7434 5.8490 5.8967 5.9290 6.6834 6.6955 7.0362 7.0453 7.1651 7.1809 7.2620 7.2708 7.3832 7.3921 7.4697 7.4809 7.5024 7.5084 7.6350 7.6360 7.7052 7.7107 7.7384 7.7420 7.8404 7.8523 7.9141 7.9185 8.0008 8.0102 8.0980 8.1055 8.2200 8.2317 8.3380 8.3525 8.4455 8.4543 8.4832 8.4900 8.8350 8.8400 8.8575 8.8625 9.0600 9.0724 9.1891 9.2089 9.4566 9.4713 9.5858 9.5916 9.7880 9.8041 k = 0.0000 0.0000 0.2651 ( 14704 PWs) bands (ev): -1.9386 -1.9382 -1.3612 -1.3601 -1.2270 -1.2265 -1.0842 -1.0832 3.8979 3.9106 4.0166 4.0266 4.4859 4.5289 4.7346 4.7878 4.9606 5.0024 5.1252 5.1510 5.1668 5.1997 5.3301 5.3610 5.5241 5.6503 5.6914 5.7120 5.7469 5.8479 5.9038 5.9314 6.7251 6.7392 7.0336 7.0415 7.1694 7.1876 7.2678 7.2770 7.3901 7.3994 7.4652 7.4715 7.5008 7.5108 7.6329 7.6334 7.7086 7.7169 7.7390 7.7494 7.8318 7.8438 7.9138 7.9188 8.0044 8.0157 8.1124 8.1180 8.2298 8.2406 8.3318 8.3468 8.4523 8.4613 8.4890 8.4942 8.8344 8.8374 8.8549 8.8578 9.0394 9.0528 9.1904 9.2103 9.4732 9.4885 9.5769 9.5826 9.8070 9.8248 k = 0.0000 0.0000 0.2917 ( 14708 PWs) bands (ev): -1.9232 -1.9227 -1.3806 -1.3794 -1.2229 -1.2224 -1.0857 -1.0848 3.9154 3.9287 4.0312 4.0419 4.4681 4.5094 4.7369 4.7961 4.9374 4.9871 5.1121 5.1352 5.1455 5.1743 5.3183 5.3414 5.5147 5.6403 5.6998 5.7164 5.7504 5.8463 5.9099 5.9333 6.7632 6.7793 7.0342 7.0397 7.1754 7.1948 7.2761 7.2853 7.3975 7.4068 7.4574 7.4620 7.5001 7.5118 7.6291 7.6294 7.7065 7.7157 7.7490 7.7626 7.8233 7.8348 7.9137 7.9190 8.0086 8.0211 8.1256 8.1289 8.2382 8.2470 8.3275 8.3415 8.4587 8.4679 8.4935 8.4970 8.8303 8.8309 8.8588 8.8604 9.0192 9.0326 9.1913 9.2109 9.4870 9.5034 9.5732 9.5803 9.8276 9.8471 k = 0.0000 0.0000 0.3182 ( 14716 PWs) bands (ev): -1.9071 -1.9066 -1.4004 -1.3993 -1.2187 -1.2182 -1.0875 -1.0866 3.9340 3.9477 4.0462 4.0576 4.4492 4.4880 4.7404 4.8065 4.9140 4.9723 5.0918 5.1045 5.1383 5.1545 5.3062 5.3241 5.5094 5.6302 5.7081 5.7209 5.7538 5.8442 5.9152 5.9350 6.7965 6.8143 7.0384 7.0409 7.1830 7.2023 7.2864 7.2950 7.4042 7.4134 7.4485 7.4537 7.4991 7.5117 7.6235 7.6242 7.7039 7.7131 7.7591 7.7757 7.8166 7.8269 7.9142 7.9196 8.0135 8.0265 8.1376 8.1387 8.2430 8.2495 8.3260 8.3375 8.4644 8.4740 8.4967 8.4985 8.8218 8.8226 8.8664 8.8693 9.0007 9.0131 9.1916 9.2105 9.4984 9.5155 9.5762 9.5849 9.8491 9.8704 k = 0.0000 0.0000 0.3447 ( 14704 PWs) bands (ev): -1.8905 -1.8901 -1.4203 -1.4192 -1.2146 -1.2140 -1.0895 -1.0886 3.9534 3.9672 4.0613 4.0731 4.4299 4.4654 4.7445 4.8185 4.8909 4.9582 5.0667 5.0773 5.1281 5.1399 5.2940 5.3088 5.5079 5.6198 5.7157 5.7255 5.7575 5.8413 5.9199 5.9365 6.8239 6.8428 7.0443 7.0487 7.1918 7.2100 7.2976 7.3055 7.4086 7.4177 7.4406 7.4477 7.4982 7.5112 7.6165 7.6177 7.7025 7.7118 7.7624 7.7825 7.8147 7.8243 7.9159 7.9213 8.0189 8.0318 8.1466 8.1493 8.2418 8.2484 8.3278 8.3356 8.4691 8.4792 8.4978 8.5006 8.8116 8.8127 8.8751 8.8801 8.9860 8.9958 9.1911 9.2090 9.5084 9.5251 9.5862 9.5959 9.8711 9.8940 k = 0.0000 0.0000 0.3712 ( 14700 PWs) bands (ev): -1.8740 -1.8735 -1.4399 -1.4389 -1.2105 -1.2100 -1.0915 -1.0907 3.9733 3.9870 4.0758 4.0879 4.4108 4.4426 4.7483 4.8298 4.8704 4.9455 5.0409 5.0552 5.1141 5.1275 5.2824 5.2956 5.5093 5.6094 5.7223 5.7302 5.7616 5.8376 5.9239 5.9377 6.8447 6.8637 7.0539 7.0630 7.2010 7.2173 7.3089 7.3160 7.4083 7.4175 7.4363 7.4454 7.4979 7.5110 7.6087 7.6103 7.7027 7.7124 7.7570 7.7779 7.8199 7.8295 7.9193 7.9247 8.0253 8.0376 8.1535 8.1593 8.2343 8.2442 8.3321 8.3364 8.4717 8.4823 8.4983 8.5038 8.8004 8.8018 8.8821 8.8898 8.9770 8.9830 9.1900 9.2063 9.5184 9.5337 9.6021 9.6121 9.8930 9.9170 k = 0.0000 0.0000 0.3977 ( 14708 PWs) bands (ev): -1.8579 -1.8575 -1.4587 -1.4578 -1.2067 -1.2063 -1.0936 -1.0928 3.9932 4.0066 4.0892 4.1012 4.3927 4.4202 4.7509 4.8283 4.8649 4.9358 5.0172 5.0388 5.0966 5.1144 5.2725 5.2846 5.5131 5.5991 5.7277 5.7347 5.7665 5.8329 5.9276 5.9387 6.8592 6.8769 7.0689 7.0821 7.2092 7.2233 7.3196 7.3258 7.4038 7.4124 7.4363 7.4458 7.4989 7.5118 7.6004 7.6024 7.7042 7.7145 7.7466 7.7667 7.8279 7.8373 7.9244 7.9299 8.0334 8.0444 8.1584 8.1673 8.2232 8.2368 8.3378 8.3396 8.4716 8.4813 8.5016 8.5082 8.7883 8.7901 8.8855 8.8956 8.9744 8.9769 9.1883 9.2026 9.5287 9.5420 9.6232 9.6329 9.9139 9.9358 k = 0.0000 0.0000 0.4242 ( 14716 PWs) bands (ev): -1.8430 -1.8425 -1.4759 -1.4751 -1.2033 -1.2029 -1.0955 -1.0949 4.0128 4.0253 4.1007 4.1122 4.3764 4.3993 4.7516 4.8107 4.8779 4.9309 4.9967 5.0280 5.0763 5.0994 5.2651 5.2759 5.5186 5.5888 5.7322 5.7384 5.7722 5.8275 5.9307 5.9394 6.8684 6.8836 7.0885 7.1045 7.2147 7.2269 7.3290 7.3344 7.3982 7.4055 7.4373 7.4462 7.5018 7.5140 7.5921 7.5945 7.7063 7.7172 7.7355 7.7540 7.8350 7.8437 7.9308 7.9359 8.0438 8.0532 8.1601 8.1716 8.2114 8.2278 8.3437 8.3443 8.4691 8.4769 8.5073 8.5135 8.7762 8.7783 8.8859 8.8965 8.9764 8.9784 9.1863 9.1983 9.5389 9.5498 9.6492 9.6583 9.9244 9.9409 k = 0.0000 0.0000 0.4507 ( 14718 PWs) bands (ev): -1.8298 -1.8294 -1.4907 -1.4901 -1.2005 -1.2001 -1.0971 -1.0966 4.0311 4.0423 4.1097 4.1202 4.3631 4.3809 4.7506 4.7914 4.8952 4.9325 4.9792 5.0224 5.0542 5.0829 5.2601 5.2691 5.5253 5.5787 5.7358 5.7411 5.7787 5.8213 5.9335 5.9398 6.8740 6.8859 7.1110 7.1282 7.2159 7.2271 7.3368 7.3412 7.3937 7.3994 7.4375 7.4454 7.5066 7.5175 7.5845 7.5870 7.7072 7.7169 7.7286 7.7431 7.8404 7.8476 7.9372 7.9413 8.0572 8.0649 8.1570 8.1677 8.2042 8.2196 8.3489 8.3498 8.4654 8.4712 8.5137 8.5188 8.7649 8.7671 8.8850 8.8942 8.9811 8.9834 9.1844 9.1937 9.5481 9.5564 9.6799 9.6882 9.9037 9.9198 k = 0.0000 0.0000 0.4773 ( 14720 PWs) bands (ev): -1.8194 -1.8191 -1.5024 -1.5019 -1.1983 -1.1980 -1.0984 -1.0980 4.0470 4.0560 4.1161 4.1245 4.3537 4.3659 4.7493 4.7746 4.9117 4.9417 4.9645 5.0205 5.0320 5.0660 5.2576 5.2640 5.5329 5.5689 5.7388 5.7426 5.7857 5.8146 5.9357 5.9399 6.8775 6.8856 7.1341 7.1510 7.2118 7.2230 7.3427 7.3458 7.3913 7.3950 7.4371 7.4431 7.5126 7.5213 7.5780 7.5804 7.7048 7.7110 7.7295 7.7366 7.8444 7.8495 7.9425 7.9453 8.0736 8.0793 8.1480 8.1542 8.2036 8.2139 8.3535 8.3545 8.4617 8.4656 8.5196 8.5233 8.7557 8.7576 8.8845 8.8910 8.9865 8.9883 9.1831 9.1895 9.5555 9.5610 9.7148 9.7224 9.8710 9.8817 k = 0.0000 0.0000 0.5038 ( 14722 PWs) bands (ev): -1.8126 -1.8124 -1.5098 -1.5095 -1.1969 -1.1967 -1.0991 -1.0990 4.0592 4.0644 4.1203 4.1252 4.3490 4.3552 4.7497 4.7617 4.9255 4.9489 4.9611 5.0047 5.0284 5.0503 5.2569 5.2603 5.5412 5.5593 5.7410 5.7430 5.7930 5.8076 5.9375 5.9395 6.8801 6.8841 7.1556 7.1693 7.2043 7.2147 7.3466 7.3481 7.3909 7.3927 7.4369 7.4403 7.5186 7.5235 7.5739 7.5755 7.7016 7.7049 7.7318 7.7345 7.8472 7.8498 7.9460 7.9474 8.0918 8.0956 8.1345 8.1363 8.2057 8.2105 8.3569 8.3575 8.4592 8.4612 8.5240 8.5260 8.7499 8.7509 8.8848 8.8881 8.9906 8.9916 9.1829 9.1861 9.5606 9.5634 9.7528 9.7600 9.8331 9.8412 k = 0.0000 0.0000 0.5303 ( 14718 PWs) bands (ev): -1.8102 -1.8102 -1.5123 -1.5123 -1.1964 -1.1964 -1.0994 -1.0994 4.0655 4.0655 4.1234 4.1234 4.3495 4.3495 4.7535 4.7535 4.9377 4.9377 4.9816 4.9816 5.0372 5.0372 5.2579 5.2579 5.5501 5.5501 5.7425 5.7425 5.8003 5.8003 5.9387 5.9387 6.8822 6.8822 7.1714 7.1714 7.2047 7.2047 7.3483 7.3483 7.3915 7.3915 7.4379 7.4379 7.5227 7.5227 7.5731 7.5731 7.7013 7.7013 7.7334 7.7334 7.8489 7.8489 7.9476 7.9476 8.1062 8.1062 8.1233 8.1233 8.2080 8.2080 8.3583 8.3583 8.4589 8.4589 8.5263 8.5263 8.7482 8.7482 8.8860 8.8860 8.9924 8.9924 9.1838 9.1838 9.5633 9.5633 9.7914 9.7914 9.8016 9.8016 k = 0.0000 0.0000 0.5303 ( 14718 PWs) bands (ev): -1.8102 -1.8102 -1.5123 -1.5123 -1.1964 -1.1964 -1.0994 -1.0994 4.0655 4.0655 4.1234 4.1234 4.3495 4.3495 4.7535 4.7535 4.9377 4.9377 4.9816 4.9816 5.0372 5.0372 5.2579 5.2579 5.5501 5.5501 5.7425 5.7425 5.8003 5.8003 5.9387 5.9387 6.8822 6.8822 7.1714 7.1714 7.2047 7.2047 7.3483 7.3483 7.3915 7.3915 7.4379 7.4379 7.5227 7.5227 7.5731 7.5731 7.7013 7.7013 7.7334 7.7334 7.8489 7.8489 7.9476 7.9476 8.1062 8.1062 8.1233 8.1233 8.2080 8.2080 8.3583 8.3583 8.4589 8.4589 8.5263 8.5263 8.7482 8.7482 8.8860 8.8860 8.9924 8.9924 9.1838 9.1838 9.5633 9.5633 9.7914 9.7914 9.8016 9.8016 k =-0.0250 0.0088 0.5303 ( 14722 PWs) bands (ev): -1.8094 -1.8093 -1.5118 -1.5118 -1.1974 -1.1973 -1.0997 -1.0996 4.0652 4.0667 4.1226 4.1247 4.3475 4.3486 4.7421 4.7609 4.9304 4.9421 4.9715 4.9932 5.0363 5.0398 5.2476 5.2730 5.5493 5.5518 5.7368 5.7485 5.7950 5.8045 5.9326 5.9443 6.8817 6.8833 7.1628 7.1672 7.2013 7.2088 7.3429 7.3473 7.3906 7.3956 7.4381 7.4394 7.5258 7.5286 7.5726 7.5761 7.6932 7.7028 7.7345 7.7425 7.8493 7.8519 7.9454 7.9486 8.1042 8.1059 8.1154 8.1246 8.2065 8.2181 8.3550 8.3577 8.4598 8.4625 8.5273 8.5282 8.7419 8.7442 8.8886 8.8938 8.9914 8.9921 9.1839 9.1847 9.5618 9.5625 9.7839 9.7889 9.8021 9.8061 k =-0.0500 0.0177 0.5303 ( 14714 PWs) bands (ev): -1.8071 -1.8069 -1.5106 -1.5105 -1.2005 -1.2001 -1.1005 -1.1003 4.0656 4.0687 4.1225 4.1265 4.3427 4.3448 4.7278 4.7632 4.9188 4.9449 4.9637 5.0057 5.0382 5.0416 5.2446 5.2903 5.5491 5.5545 5.7315 5.7538 5.7912 5.8063 5.9267 5.9488 6.8817 6.8848 7.1459 7.1509 7.1993 7.2096 7.3329 7.3397 7.3932 7.4026 7.4394 7.4426 7.5350 7.5415 7.5753 7.5828 7.6847 7.6987 7.7449 7.7556 7.8530 7.8580 7.9422 7.9484 8.0963 8.0994 8.1118 8.1202 8.2138 8.2322 8.3487 8.3534 8.4645 8.4694 8.5313 8.5329 8.7282 8.7315 8.9001 8.9093 8.9891 8.9905 9.1848 9.1863 9.5583 9.5595 9.7726 9.7788 9.8056 9.8091 k =-0.0750 0.0265 0.5303 ( 14704 PWs) bands (ev): -1.8032 -1.8030 -1.5084 -1.5083 -1.2055 -1.2050 -1.1019 -1.1017 4.0667 4.0713 4.1229 4.1288 4.3353 4.3385 4.7115 4.7600 4.9032 4.9463 4.9594 5.0189 5.0360 5.0479 5.2503 5.3077 5.5495 5.5583 5.7254 5.7572 5.7915 5.8059 5.9217 5.9517 6.8822 6.8865 7.1235 7.1277 7.1955 7.2063 7.3207 7.3283 7.3988 7.4110 7.4406 7.4477 7.5444 7.5538 7.5846 7.5950 7.6793 7.6956 7.7584 7.7697 7.8597 7.8672 7.9385 7.9474 8.0812 8.0883 8.1126 8.1171 8.2256 8.2470 8.3406 8.3468 8.4711 8.4774 8.5383 8.5405 8.7111 8.7143 8.9169 8.9286 8.9863 8.9881 9.1865 9.1886 9.5529 9.5545 9.7585 9.7660 9.8076 9.8110 k =-0.1000 0.0353 0.5303 ( 14708 PWs) bands (ev): -1.7978 -1.7974 -1.5054 -1.5053 -1.2124 -1.2117 -1.1038 -1.1036 4.0686 4.0746 4.1240 4.1315 4.3257 4.3299 4.6942 4.7517 4.8847 4.9442 4.9598 5.0295 5.0343 5.0574 5.2638 5.3237 5.5500 5.5630 5.7169 5.7600 5.7924 5.8081 5.9181 5.9530 6.8830 6.8879 7.0974 7.1009 7.1891 7.1995 7.3082 7.3161 7.4062 7.4193 7.4418 7.4532 7.5505 7.5594 7.6028 7.6132 7.6783 7.6962 7.7724 7.7838 7.8688 7.8788 7.9352 7.9461 8.0652 8.0735 8.1143 8.1171 8.2386 8.2606 8.3319 8.3390 8.4772 8.4845 8.5482 8.5507 8.6942 8.6963 8.9360 8.9492 8.9837 8.9860 9.1889 9.1915 9.5457 9.5476 9.7415 9.7511 9.8083 9.8132 k =-0.1250 0.0442 0.5303 ( 14714 PWs) bands (ev): -1.7909 -1.7904 -1.5017 -1.5015 -1.2210 -1.2201 -1.1063 -1.1060 4.0712 4.0784 4.1258 4.1346 4.3144 4.3195 4.6766 4.7392 4.8645 4.9362 4.9646 5.0270 5.0471 5.0677 5.2831 5.3376 5.5505 5.5682 5.7056 5.7648 5.7880 5.8180 5.9158 5.9528 6.8836 6.8885 7.0694 7.0723 7.1807 7.1905 7.2969 7.3048 7.4142 7.4273 7.4414 7.4563 7.5553 7.5629 7.6233 7.6334 7.6830 7.7015 7.7862 7.7970 7.8788 7.8915 7.9339 7.9459 8.0497 8.0578 8.1165 8.1194 8.2506 8.2721 8.3234 8.3309 8.4804 8.4882 8.5606 8.5632 8.6801 8.6809 8.9554 8.9682 8.9825 8.9866 9.1918 9.1947 9.5368 9.5392 9.7223 9.7339 9.8095 9.8167 k =-0.1500 0.0530 0.5303 ( 14710 PWs) bands (ev): -1.7825 -1.7820 -1.4972 -1.4970 -1.2312 -1.2302 -1.1094 -1.1091 4.0744 4.0826 4.1283 4.1379 4.3019 4.3078 4.6594 4.7239 4.8435 4.9221 4.9722 5.0276 5.0595 5.0784 5.3060 5.3490 5.5507 5.5734 5.6926 5.7677 5.7860 5.8316 5.9149 5.9518 6.8830 6.8871 7.0412 7.0436 7.1711 7.1801 7.2875 7.2949 7.4217 7.4354 7.4380 7.4549 7.5630 7.5685 7.6404 7.6499 7.6952 7.7118 7.7994 7.8089 7.8875 7.9031 7.9369 7.9484 8.0352 8.0428 8.1196 8.1233 8.2604 8.2811 8.3155 8.3229 8.4785 8.4865 8.5748 8.5776 8.6699 8.6717 8.9732 8.9791 8.9843 8.9972 9.1951 9.1981 9.5262 9.5295 9.7012 9.7146 9.8125 9.8218 k =-0.1750 0.0618 0.5303 ( 14704 PWs) bands (ev): -1.7727 -1.7722 -1.4921 -1.4919 -1.2430 -1.2419 -1.1131 -1.1127 4.0781 4.0869 4.1315 4.1415 4.2886 4.2952 4.6430 4.7071 4.8223 4.9031 4.9816 5.0317 5.0697 5.0891 5.3306 5.3581 5.5505 5.5780 5.6791 5.7615 5.7952 5.8467 5.9150 5.9513 6.8798 6.8825 7.0152 7.0166 7.1612 7.1696 7.2801 7.2868 7.4216 7.4313 7.4446 7.4538 7.5747 7.5783 7.6520 7.6602 7.7138 7.7263 7.8112 7.8192 7.8931 7.9118 7.9450 7.9553 8.0224 8.0293 8.1239 8.1287 8.2671 8.2872 8.3092 8.3159 8.4699 8.4778 8.5904 8.5938 8.6658 8.6695 8.9827 8.9854 8.9960 9.0152 9.1986 9.2016 9.5138 9.5187 9.6790 9.6937 9.8175 9.8285 k =-0.2000 0.0706 0.5303 ( 14724 PWs) bands (ev): -1.7617 -1.7611 -1.4864 -1.4861 -1.2561 -1.2550 -1.1172 -1.1169 4.0821 4.0914 4.1354 4.1452 4.2751 4.2822 4.6276 4.6899 4.8014 4.8811 4.9916 5.0380 5.0777 5.0993 5.3552 5.3655 5.5498 5.5818 5.6662 5.7523 5.8096 5.8626 5.9153 5.9532 6.8707 6.8734 6.9931 6.9941 7.1522 7.1599 7.2747 7.2803 7.4081 7.4197 7.4548 7.4632 7.5889 7.5925 7.6591 7.6666 7.7340 7.7421 7.8206 7.8281 7.8969 7.9180 7.9547 7.9656 8.0126 8.0185 8.1296 8.1355 8.2697 8.2899 8.3053 8.3111 8.4546 8.4622 8.6074 8.6116 8.6681 8.6734 8.9905 8.9930 9.0130 9.0336 9.2023 9.2051 9.4999 9.5066 9.6559 9.6715 9.8236 9.8360 k =-0.2250 0.0795 0.5303 ( 14718 PWs) bands (ev): -1.7494 -1.7487 -1.4802 -1.4799 -1.2705 -1.2693 -1.1218 -1.1215 4.0865 4.0958 4.1399 4.1489 4.2617 4.2691 4.6137 4.6729 4.7810 4.8577 5.0012 5.0454 5.0839 5.1081 5.3686 5.3814 5.5487 5.5845 5.6549 5.7432 5.8243 5.8797 5.9144 5.9596 6.8539 6.8589 6.9761 6.9783 7.1449 7.1518 7.2708 7.2755 7.3890 7.4012 7.4688 7.4779 7.6046 7.6093 7.6637 7.6712 7.7512 7.7563 7.8269 7.8360 7.9014 7.9236 7.9605 7.9749 8.0071 8.0143 8.1366 8.1433 8.2686 8.2884 8.3039 8.3101 8.4338 8.4413 8.6259 8.6309 8.6751 8.6816 9.0014 9.0043 9.0298 9.0515 9.2061 9.2086 9.4843 9.4933 9.6324 9.6485 9.8288 9.8428 k =-0.2500 0.0883 0.5303 ( 14722 PWs) bands (ev): -1.7361 -1.7353 -1.4736 -1.4734 -1.2859 -1.2847 -1.1268 -1.1265 4.0910 4.0999 4.1450 4.1525 4.2489 4.2563 4.6014 4.6570 4.7613 4.8339 5.0096 5.0530 5.0890 5.1152 5.3725 5.4030 5.5477 5.5859 5.6461 5.7353 5.8368 5.8991 5.9119 5.9709 6.8308 6.8379 6.9653 6.9681 7.1403 7.1464 7.2680 7.2719 7.3672 7.3795 7.4854 7.4953 7.6209 7.6265 7.6672 7.6748 7.7627 7.7673 7.8308 7.8423 7.9080 7.9293 7.9593 7.9765 8.0095 8.0197 8.1443 8.1512 8.2660 8.2851 8.3037 8.3110 8.4094 8.4168 8.6459 8.6514 8.6852 8.6924 9.0154 9.0192 9.0463 9.0691 9.2101 9.2122 9.4674 9.4787 9.6085 9.6249 9.8310 9.8464 k =-0.2750 0.0971 0.5303 ( 14714 PWs) bands (ev): -1.7218 -1.7209 -1.4668 -1.4666 -1.3022 -1.3010 -1.1321 -1.1318 4.0954 4.1039 4.1504 4.1559 4.2370 4.2440 4.5908 4.6427 4.7424 4.8101 5.0162 5.0603 5.0934 5.1206 5.3746 5.4210 5.5477 5.5863 5.6405 5.7289 5.8462 5.9083 5.9211 5.9856 6.8041 6.8124 6.9588 6.9613 7.1388 7.1440 7.2657 7.2693 7.3445 7.3564 7.5037 7.5147 7.6364 7.6424 7.6704 7.6786 7.7678 7.7741 7.8335 7.8468 7.9170 7.9339 7.9555 7.9707 8.0201 8.0307 8.1517 8.1582 8.2641 8.2826 8.3032 8.3115 8.3832 8.3906 8.6673 8.6727 8.6971 8.7050 9.0318 9.0366 9.0634 9.0867 9.2144 9.2161 9.4490 9.4626 9.5845 9.6008 9.8291 9.8451 k =-0.3000 0.1060 0.5303 ( 14712 PWs) bands (ev): -1.7067 -1.7058 -1.4599 -1.4597 -1.3192 -1.3180 -1.1375 -1.1373 4.0997 4.1076 4.1558 4.1589 4.2263 4.2325 4.5822 4.6301 4.7246 4.7868 5.0209 5.0663 5.0978 5.1246 5.3755 5.4331 5.5501 5.5862 5.6385 5.7241 5.8534 5.9045 5.9449 6.0021 6.7761 6.7847 6.9546 6.9563 7.1405 7.1450 7.2632 7.2673 7.3224 7.3331 7.5233 7.5356 7.6487 7.6565 7.6737 7.6837 7.7672 7.7758 7.8360 7.8501 7.9269 7.9336 7.9547 7.9636 8.0335 8.0437 8.1575 8.1630 8.2647 8.2821 8.3008 8.3096 8.3578 8.3648 8.6886 8.6933 8.7108 8.7195 9.0489 9.0544 9.0829 9.1054 9.2194 9.2207 9.4293 9.4448 9.5603 9.5761 9.8240 9.8393 k =-0.3250 0.1148 0.5303 ( 14716 PWs) bands (ev): -1.6910 -1.6901 -1.4531 -1.4529 -1.3367 -1.3354 -1.1430 -1.1428 4.1037 4.1111 4.1606 4.1618 4.2171 4.2220 4.5755 4.6197 4.7079 4.7642 5.0242 5.0698 5.1027 5.1276 5.3755 5.4381 5.5555 5.5864 5.6397 5.7207 5.8592 5.9009 5.9690 6.0188 6.7484 6.7570 6.9512 6.9522 7.1453 7.1491 7.2588 7.2649 7.3033 7.3113 7.5433 7.5574 7.6562 7.6678 7.6783 7.6905 7.7621 7.7730 7.8394 7.8532 7.9266 7.9373 7.9518 7.9639 8.0477 8.0573 8.1609 8.1653 8.2681 8.2834 8.2945 8.3008 8.3385 8.3429 8.7069 8.7107 8.7285 8.7374 9.0649 9.0708 9.1063 9.1262 9.2250 9.2262 9.4085 9.4255 9.5361 9.5510 9.8175 9.8311 k =-0.3500 0.1236 0.5303 ( 14710 PWs) bands (ev): -1.6751 -1.6742 -1.4466 -1.4464 -1.3542 -1.3530 -1.1483 -1.1482 4.1074 4.1144 4.1626 4.1660 4.2097 4.2130 4.5710 4.6115 4.6925 4.7428 5.0265 5.0703 5.1085 5.1300 5.3750 5.4366 5.5632 5.5875 5.6437 5.7183 5.8643 5.8978 5.9923 6.0347 6.7222 6.7304 6.9480 6.9490 7.1524 7.1558 7.2503 7.2598 7.2898 7.2940 7.5630 7.5793 7.6600 7.6737 7.6859 7.6974 7.7539 7.7666 7.8446 7.8568 7.9200 7.9378 7.9519 7.9690 8.0623 8.0711 8.1619 8.1655 8.2726 8.2776 8.2823 8.2888 8.3279 8.3311 8.7200 8.7237 8.7508 8.7590 9.0782 9.0854 9.1332 9.1499 9.2316 9.2327 9.3870 9.4047 9.5116 9.5252 9.8107 9.8220 k =-0.3750 0.1325 0.5303 ( 14688 PWs) bands (ev): -1.6592 -1.6584 -1.4406 -1.4404 -1.3713 -1.3702 -1.1533 -1.1532 4.1106 4.1174 4.1631 4.1697 4.2034 4.2063 4.5686 4.6052 4.6786 4.7226 5.0283 5.0681 5.1145 5.1319 5.3745 5.4307 5.5710 5.5894 5.6502 5.7164 5.8688 5.8951 6.0139 6.0489 6.6986 6.7060 6.9451 6.9464 7.1612 7.1642 7.2374 7.2488 7.2824 7.2852 7.5818 7.6007 7.6620 7.6764 7.6932 7.7028 7.7438 7.7579 7.8519 7.8616 7.9137 7.9306 7.9576 7.9733 8.0768 8.0851 8.1613 8.1641 8.2545 8.2583 8.2818 8.2915 8.3221 8.3282 8.7299 8.7335 8.7748 8.7821 9.0894 9.0979 9.1622 9.1762 9.2392 9.2401 9.3654 9.3832 9.4866 9.4986 9.8041 9.8132 k =-0.4000 0.1413 0.5303 ( 14682 PWs) bands (ev): -1.6440 -1.6432 -1.4352 -1.4350 -1.3876 -1.3866 -1.1578 -1.1577 4.1135 4.1200 4.1629 4.1720 4.1980 4.2024 4.5684 4.6007 4.6667 4.7041 5.0303 5.0642 5.1202 5.1333 5.3747 5.4224 5.5775 5.5916 5.6589 5.7146 5.8731 5.8928 6.0330 6.0607 6.6783 6.6846 6.9427 6.9442 7.1705 7.1732 7.2237 7.2342 7.2796 7.2822 7.5987 7.6207 7.6630 7.6783 7.6968 7.7068 7.7337 7.7481 7.8606 7.8676 7.9090 7.9230 7.9617 7.9754 8.0912 8.0989 8.1599 8.1621 8.2306 8.2349 8.2882 8.2943 8.3198 8.3274 8.7377 8.7410 8.7980 8.8041 9.0993 9.1085 9.1919 9.2040 9.2475 9.2482 9.3449 9.3619 9.4610 9.4713 9.7979 9.8049 k =-0.4250 0.1501 0.5303 ( 14666 PWs) bands (ev): -1.6302 -1.6295 -1.4308 -1.4306 -1.4022 -1.4013 -1.1616 -1.1615 4.1161 4.1218 4.1624 4.1722 4.1948 4.2001 4.5703 4.5971 4.6575 4.6875 5.0326 5.0592 5.1251 5.1342 5.3759 5.4132 5.5827 5.5933 5.6690 5.7122 5.8769 5.8909 6.0492 6.0698 6.6619 6.6670 6.9410 6.9424 7.1791 7.1814 7.2120 7.2204 7.2788 7.2810 7.6132 7.6380 7.6632 7.6800 7.6977 7.7094 7.7251 7.7380 7.8688 7.8747 7.9065 7.9166 7.9634 7.9749 8.1054 8.1128 8.1585 8.1600 8.2080 8.2125 8.2933 8.2965 8.3197 8.3273 8.7439 8.7465 8.8186 8.8234 9.1082 9.1171 9.2205 9.2316 9.2560 9.2565 9.3272 9.3426 9.4350 9.4434 9.7918 9.7968 k =-0.4500 0.1590 0.5303 ( 14664 PWs) bands (ev): -1.6188 -1.6183 -1.4274 -1.4273 -1.4141 -1.4134 -1.1644 -1.1643 4.1184 4.1228 4.1624 4.1704 4.1941 4.1986 4.5739 4.5937 4.6518 4.6732 5.0356 5.0538 5.1289 5.1346 5.3785 5.4040 5.5867 5.5940 5.6793 5.7088 5.8802 5.8892 6.0619 6.0755 6.6502 6.6537 6.9400 6.9411 7.1852 7.1872 7.2046 7.2101 7.2788 7.2803 7.6250 7.6488 7.6650 7.6812 7.6989 7.7101 7.7189 7.7281 7.8751 7.8811 7.9068 7.9126 7.9632 7.9720 8.1197 8.1268 8.1573 8.1580 8.1875 8.1919 8.2964 8.2980 8.3210 8.3272 8.7485 8.7503 8.8349 8.8382 9.1162 9.1234 9.2448 9.2546 9.2637 9.2655 9.3162 9.3283 9.4091 9.4156 9.7859 9.7892 k =-0.4750 0.1678 0.5303 ( 14664 PWs) bands (ev): -1.6111 -1.6108 -1.4255 -1.4254 -1.4218 -1.4214 -1.1661 -1.1661 4.1203 4.1227 4.1632 4.1677 4.1948 4.1973 4.5788 4.5894 4.6506 4.6619 5.0392 5.0485 5.1316 5.1344 5.3826 5.3956 5.5898 5.5936 5.6889 5.7038 5.8831 5.8874 6.0710 6.0778 6.6433 6.6451 6.9396 6.9402 7.1875 7.1891 7.2026 7.2049 7.2791 7.2799 7.6345 7.6482 7.6721 7.6810 7.7026 7.7099 7.7149 7.7189 7.8795 7.8835 7.9092 7.9116 7.9628 7.9678 8.1343 8.1411 8.1555 8.1573 8.1698 8.1734 8.2979 8.2987 8.3232 8.3265 8.7514 8.7523 8.8457 8.8474 9.1227 9.1269 9.2597 9.2654 9.2705 9.2729 9.3184 9.3246 9.3859 9.3901 9.7815 9.7831 k =-0.5000 0.1766 0.5303 ( 14684 PWs) bands (ev): -1.6083 -1.6083 -1.4255 -1.4255 -1.4237 -1.4237 -1.1667 -1.1667 4.1218 4.1218 4.1651 4.1651 4.1960 4.1960 4.5842 4.5842 4.6541 4.6541 5.0436 5.0436 5.1334 5.1334 5.3884 5.3884 5.5922 5.5922 5.6972 5.6972 5.8855 5.8855 6.0763 6.0763 6.6416 6.6416 6.9397 6.9397 7.1882 7.1882 7.2034 7.2034 7.2794 7.2794 7.6423 7.6423 7.6783 7.6783 7.7083 7.7083 7.7130 7.7130 7.8824 7.8824 7.9113 7.9113 7.9642 7.9642 8.1484 8.1484 8.1556 8.1556 8.1599 8.1599 8.2986 8.2986 8.3252 8.3252 8.7527 8.7527 8.8500 8.8500 9.1266 9.1266 9.2662 9.2662 9.2733 9.2733 9.3268 9.3268 9.3756 9.3756 9.7802 9.7802 k =-0.5000 0.1766 0.5303 ( 14684 PWs) bands (ev): -1.6083 -1.6083 -1.4255 -1.4255 -1.4237 -1.4237 -1.1667 -1.1667 4.1218 4.1218 4.1651 4.1651 4.1960 4.1960 4.5842 4.5842 4.6541 4.6541 5.0436 5.0436 5.1334 5.1334 5.3884 5.3884 5.5922 5.5922 5.6972 5.6972 5.8855 5.8855 6.0763 6.0763 6.6416 6.6416 6.9397 6.9397 7.1882 7.1882 7.2034 7.2034 7.2794 7.2794 7.6423 7.6423 7.6783 7.6783 7.7083 7.7083 7.7130 7.7130 7.8824 7.8824 7.9113 7.9113 7.9642 7.9642 8.1484 8.1484 8.1556 8.1556 8.1599 8.1599 8.2986 8.2986 8.3252 8.3252 8.7527 8.7527 8.8500 8.8500 9.1266 9.1266 9.2662 9.2662 9.2733 9.2733 9.3268 9.3268 9.3756 9.3756 9.7802 9.7802 k =-0.4821 0.1703 0.5113 ( 14662 PWs) bands (ev): -1.6112 -1.6109 -1.4248 -1.4246 -1.4226 -1.4221 -1.1661 -1.1661 4.1203 4.1227 4.1632 4.1677 4.1948 4.1974 4.5788 4.5895 4.6506 4.6620 5.0393 5.0485 5.1316 5.1345 5.3825 5.3958 5.5898 5.5936 5.6889 5.7039 5.8831 5.8874 6.0710 6.0778 6.6434 6.6452 6.9396 6.9402 7.1873 7.1894 7.2026 7.2048 7.2791 7.2799 7.6345 7.6482 7.6721 7.6808 7.7030 7.7086 7.7162 7.7184 7.8792 7.8839 7.9092 7.9115 7.9629 7.9679 8.1352 8.1422 8.1534 8.1550 8.1712 8.1743 8.2979 8.2987 8.3231 8.3266 8.7514 8.7523 8.8456 8.8473 9.1225 9.1269 9.2597 9.2653 9.2709 9.2731 9.3186 9.3235 9.3864 9.3903 9.7816 9.7830 k =-0.4643 0.1640 0.4924 ( 14664 PWs) bands (ev): -1.6193 -1.6187 -1.4232 -1.4229 -1.4181 -1.4173 -1.1643 -1.1642 4.1181 4.1227 4.1619 4.1709 4.1938 4.1990 4.5741 4.5939 4.6518 4.6735 5.0356 5.0526 5.1289 5.1360 5.3779 5.4045 5.5866 5.5938 5.6794 5.7087 5.8805 5.8889 6.0618 6.0753 6.6504 6.6538 6.9399 6.9411 7.1844 7.1890 7.2048 7.2090 7.2788 7.2802 7.6254 7.6491 7.6649 7.6799 7.7001 7.7077 7.7210 7.7278 7.8733 7.8831 7.9061 7.9118 7.9638 7.9730 8.1238 8.1307 8.1489 8.1513 8.1916 8.1946 8.2966 8.2984 8.3207 8.3272 8.7483 8.7502 8.8347 8.8381 9.1142 9.1232 9.2466 9.2562 9.2660 9.2663 9.3154 9.3218 9.4112 9.4163 9.7864 9.7884 k =-0.4464 0.1577 0.4735 ( 14662 PWs) bands (ev): -1.6317 -1.6309 -1.4209 -1.4204 -1.4110 -1.4100 -1.1614 -1.1613 4.1151 4.1214 4.1607 4.1738 4.1937 4.2015 4.5713 4.5980 4.6574 4.6880 5.0321 5.0540 5.1264 5.1400 5.3742 5.4142 5.5822 5.5926 5.6699 5.7120 5.8778 5.8899 6.0492 6.0692 6.6623 6.6671 6.9407 6.9426 7.1780 7.1843 7.2128 7.2180 7.2787 7.2802 7.6148 7.6398 7.6609 7.6762 7.6997 7.7084 7.7269 7.7376 7.8645 7.8782 7.9053 7.9143 7.9657 7.9780 8.1148 8.1215 8.1413 8.1453 8.2148 8.2174 8.2952 8.2985 8.3184 8.3272 8.7436 8.7464 8.8182 8.8231 9.1013 9.1148 9.2281 9.2401 9.2570 9.2591 9.3230 9.3288 9.4395 9.4446 9.7925 9.7939 k =-0.4286 0.1514 0.4545 ( 14690 PWs) bands (ev): -1.6474 -1.6466 -1.4178 -1.4171 -1.4024 -1.4012 -1.1574 -1.1572 4.1112 4.1184 4.1586 4.1749 4.1960 4.2061 4.5714 4.6032 4.6666 4.7050 5.0272 5.0508 5.1255 5.1485 5.3708 5.4245 5.5756 5.5904 5.6617 5.7139 5.8750 5.8904 6.0333 6.0596 6.6786 6.6844 6.9418 6.9444 7.1692 7.1769 7.2253 7.2308 7.2790 7.2798 7.6026 7.6246 7.6564 7.6703 7.7005 7.7101 7.7344 7.7471 7.8533 7.8693 7.9082 7.9193 7.9673 7.9819 8.1077 8.1139 8.1322 8.1377 8.2380 8.2415 8.2944 8.3002 8.3170 8.3267 8.7371 8.7408 8.7975 8.8037 9.0839 9.1009 9.2083 9.2219 9.2487 9.2521 9.3362 9.3409 9.4681 9.4726 9.7967 9.7994 k =-0.4107 0.1451 0.4356 ( 14690 PWs) bands (ev): -1.6656 -1.6647 -1.4138 -1.4130 -1.3929 -1.3916 -1.1526 -1.1523 4.1058 4.1134 4.1545 4.1732 4.2017 4.2137 4.5750 4.6108 4.6786 4.7243 5.0198 5.0427 5.1276 5.1616 5.3671 5.4346 5.5656 5.5881 5.6561 5.7151 5.8723 5.8905 6.0149 6.0469 6.6985 6.7050 6.9434 6.9467 7.1593 7.1683 7.2402 7.2453 7.2793 7.2810 7.5887 7.6068 7.6494 7.6627 7.7009 7.7120 7.7428 7.7554 7.8409 7.8586 7.9138 7.9263 7.9677 7.9839 8.1005 8.1060 8.1236 8.1302 8.2573 8.2629 8.2967 8.3067 8.3188 8.3262 8.7287 8.7334 8.7739 8.7813 9.0624 9.0813 9.1898 9.2043 9.2423 9.2463 9.3518 9.3554 9.4954 9.4988 9.7988 9.8043 k =-0.3929 0.1388 0.4166 ( 14714 PWs) bands (ev): -1.6855 -1.6846 -1.4089 -1.4080 -1.3830 -1.3817 -1.1470 -1.1467 4.0987 4.1064 4.1483 4.1685 4.2110 4.2245 4.5823 4.6214 4.6931 4.7457 5.0092 5.0308 5.1335 5.1783 5.3627 5.4435 5.5528 5.5865 5.6532 5.7159 5.8695 5.8902 5.9946 6.0315 6.7211 6.7279 6.9455 6.9495 7.1493 7.1596 7.2527 7.2577 7.2814 7.2890 7.5734 7.5876 7.6403 7.6536 7.7001 7.7132 7.7505 7.7617 7.8285 7.8478 7.9211 7.9345 7.9665 7.9837 8.0910 8.0954 8.1189 8.1252 8.2669 8.2740 8.3032 8.3210 8.3261 8.3322 8.7184 8.7241 8.7489 8.7576 9.0380 9.0573 9.1731 9.1875 9.2384 9.2423 9.3681 9.3703 9.5201 9.5222 9.7991 9.8081 k =-0.3750 0.1325 0.3977 ( 14718 PWs) bands (ev): -1.7067 -1.7057 -1.4033 -1.4022 -1.3731 -1.3717 -1.1410 -1.1406 4.0895 4.0973 4.1403 4.1616 4.2233 4.2382 4.5936 4.6353 4.7104 4.7693 4.9958 5.0164 5.1425 5.1972 5.3572 5.4497 5.5394 5.5859 5.6526 5.7168 5.8661 5.8896 5.9735 6.0140 6.7450 6.7521 6.9481 6.9528 7.1400 7.1514 7.2560 7.2622 7.2939 7.3064 7.5570 7.5677 7.6300 7.6435 7.6976 7.7132 7.7558 7.7647 7.8171 7.8379 7.9295 7.9431 7.9637 7.9810 8.0779 8.0823 8.1181 8.1242 8.2671 8.2774 8.3087 8.3243 8.3497 8.3546 8.7050 8.7126 8.7246 8.7344 9.0121 9.0306 9.1573 9.1710 9.2373 9.2408 9.3839 9.3846 9.5403 9.5428 9.7981 9.8110 k =-0.3571 0.1262 0.3788 ( 14722 PWs) bands (ev): -1.7286 -1.7277 -1.3970 -1.3957 -1.3633 -1.3620 -1.1346 -1.1342 4.0779 4.0861 4.1312 4.1529 4.2383 4.2545 4.6087 4.6520 4.7308 4.7950 4.9805 5.0005 5.1537 5.2172 5.3505 5.4508 5.5293 5.5863 5.6535 5.7182 5.8618 5.8885 5.9528 5.9951 6.7689 6.7764 6.9514 6.9569 7.1321 7.1443 7.2532 7.2590 7.3150 7.3296 7.5399 7.5480 7.6190 7.6327 7.6930 7.7112 7.7568 7.7631 7.8081 7.8298 7.9380 7.9508 7.9605 7.9758 8.0625 8.0686 8.1198 8.1266 8.2631 8.2770 8.3147 8.3269 8.3785 8.3824 8.6865 8.6956 8.7058 8.7153 8.9856 9.0029 9.1419 9.1546 9.2391 9.2419 9.3971 9.3985 9.5547 9.5597 9.7960 9.8134 k =-0.3393 0.1198 0.3598 ( 14730 PWs) bands (ev): -1.7510 -1.7500 -1.3899 -1.3885 -1.3538 -1.3525 -1.1281 -1.1276 4.0639 4.0729 4.1212 4.1428 4.2556 4.2732 4.6272 4.6708 4.7547 4.8228 4.9641 4.9838 5.1657 5.2373 5.3428 5.4444 5.5256 5.5879 5.6556 5.7202 5.8551 5.8865 5.9346 5.9753 6.7914 6.7991 6.9560 6.9621 7.1261 7.1388 7.2470 7.2524 7.3392 7.3555 7.5226 7.5295 7.6077 7.6216 7.6859 7.7061 7.7531 7.7568 7.8026 7.8241 7.9426 7.9536 7.9621 7.9692 8.0468 8.0558 8.1232 8.1312 8.2573 8.2736 8.3222 8.3313 8.4071 8.4110 8.6638 8.6731 8.6939 8.7017 8.9596 8.9753 9.1264 9.1380 9.2436 9.2459 9.4073 9.4110 9.5632 9.5716 9.7938 9.8161 k =-0.3214 0.1135 0.3409 ( 14714 PWs) bands (ev): -1.7735 -1.7726 -1.3822 -1.3807 -1.3446 -1.3433 -1.1217 -1.1211 4.0478 4.0580 4.1107 4.1316 4.2748 4.2939 4.6488 4.6908 4.7825 4.8524 4.9479 4.9672 5.1774 5.2564 5.3343 5.4323 5.5281 5.5905 5.6584 5.7229 5.8447 5.8834 5.9208 5.9560 6.8105 6.8186 6.9623 6.9689 7.1225 7.1353 7.2379 7.2436 7.3640 7.3827 7.5058 7.5138 7.5964 7.6105 7.6758 7.6971 7.7457 7.7473 7.8001 7.8205 7.9374 7.9557 7.9581 7.9704 8.0331 8.0455 8.1277 8.1370 8.2502 8.2677 8.3310 8.3374 8.4333 8.4375 8.6408 8.6501 8.6857 8.6924 8.9347 8.9488 9.1105 9.1209 9.2507 9.2530 9.4147 9.4210 9.5660 9.5781 9.7920 9.8193 k =-0.3036 0.1072 0.3220 ( 14714 PWs) bands (ev): -1.7959 -1.7950 -1.3740 -1.3724 -1.3357 -1.3344 -1.1155 -1.1148 4.0300 4.0415 4.0996 4.1196 4.2958 4.3166 4.6728 4.7112 4.8142 4.8824 4.9336 4.9517 5.1876 5.2737 5.3253 5.4182 5.5339 5.5943 5.6619 5.7263 5.8300 5.8793 5.9109 5.9389 6.8246 6.8331 6.9707 6.9778 7.1215 7.1339 7.2259 7.2325 7.3879 7.4097 7.4909 7.5022 7.5853 7.5995 7.6624 7.6840 7.7350 7.7374 7.7997 7.8186 7.9276 7.9436 7.9608 7.9712 8.0248 8.0395 8.1329 8.1432 8.2423 8.2596 8.3400 8.3446 8.4548 8.4590 8.6192 8.6281 8.6827 8.6882 8.9118 8.9243 9.0939 9.1031 9.2605 9.2634 9.4190 9.4281 9.5639 9.5797 9.7908 9.8228 k =-0.2857 0.1009 0.3030 ( 14702 PWs) bands (ev): -1.8180 -1.8172 -1.3653 -1.3636 -1.3271 -1.3259 -1.1096 -1.1088 4.0111 4.0238 4.0880 4.1069 4.3182 4.3408 4.6982 4.7316 4.8482 4.9026 4.9290 4.9425 5.1951 5.2877 5.3162 5.4061 5.5408 5.5994 5.6658 5.7300 5.8124 5.8740 5.9014 5.9274 6.8325 6.8410 6.9813 6.9884 7.1234 7.1350 7.2117 7.2195 7.4086 7.4331 7.4817 7.4970 7.5746 7.5886 7.6461 7.6673 7.7231 7.7275 7.8008 7.8179 7.9154 7.9296 7.9584 7.9663 8.0237 8.0387 8.1382 8.1490 8.2336 8.2496 8.3475 8.3527 8.4694 8.4726 8.5995 8.6078 8.6873 8.6911 8.8915 8.9025 9.0767 9.0847 9.2728 9.2767 9.4203 9.4324 9.5583 9.5774 9.7896 9.8258 k =-0.2679 0.0946 0.2841 ( 14718 PWs) bands (ev): -1.8396 -1.8389 -1.3563 -1.3545 -1.3188 -1.3177 -1.1041 -1.1033 3.9915 4.0051 4.0759 4.0936 4.3416 4.3664 4.7234 4.7519 4.8750 4.9053 4.9257 4.9662 5.1992 5.2963 5.3081 5.3987 5.5476 5.6058 5.6699 5.7335 5.7942 5.8659 5.8920 5.9227 6.8336 6.8419 6.9930 6.9999 7.1276 7.1383 7.1963 7.2053 7.4230 7.4436 7.4876 7.5009 7.5643 7.5777 7.6277 7.6482 7.7115 7.7173 7.8027 7.8178 7.9016 7.9149 7.9513 7.9588 8.0270 8.0412 8.1429 8.1538 8.2242 8.2381 8.3531 8.3611 8.4759 8.4776 8.5816 8.5891 8.7000 8.7027 8.8747 8.8844 9.0589 9.0658 9.2871 9.2923 9.4191 9.4343 9.5506 9.5723 9.7874 9.8271 k =-0.2500 0.0883 0.2651 ( 14704 PWs) bands (ev): -1.8606 -1.8599 -1.3469 -1.3450 -1.3109 -1.3098 -1.0992 -1.0983 3.9719 3.9860 4.0634 4.0799 4.3658 4.3928 4.7449 4.7732 4.8743 4.9098 4.9463 5.0030 5.1996 5.2927 5.3072 5.3975 5.5536 5.6135 5.6742 5.7358 5.7777 5.8539 5.8858 5.9218 6.8278 6.8355 7.0046 7.0111 7.1321 7.1428 7.1824 7.1924 7.4305 7.4412 7.5080 7.5141 7.5546 7.5667 7.6079 7.6277 7.7010 7.7076 7.8043 7.8172 7.8874 7.9004 7.9428 7.9510 8.0308 8.0446 8.1463 8.1566 8.2146 8.2257 8.3572 8.3685 8.4753 8.4760 8.5650 8.5716 8.7182 8.7218 8.8631 8.8716 9.0409 9.0470 9.3023 9.3087 9.4167 9.4348 9.5418 9.5655 9.7834 9.8257 k =-0.2321 0.0820 0.2462 ( 14692 PWs) bands (ev): -1.8807 -1.8801 -1.3373 -1.3354 -1.3033 -1.3023 -1.0948 -1.0939 3.9524 3.9667 4.0507 4.0658 4.3903 4.4197 4.7587 4.7954 4.8678 4.9099 4.9883 5.0424 5.1965 5.2826 5.3093 5.4017 5.5586 5.6221 5.6784 5.7351 5.7652 5.8407 5.8823 5.9225 6.8150 6.8220 7.0148 7.0215 7.1317 7.1440 7.1759 7.1863 7.4339 7.4375 7.5275 7.5337 7.5473 7.5557 7.5878 7.6066 7.6922 7.6988 7.8042 7.8145 7.8749 7.8876 7.9357 7.9436 8.0329 8.0467 8.1470 8.1563 8.2048 8.2141 8.3602 8.3744 8.4697 8.4714 8.5493 8.5550 8.7381 8.7433 8.8589 8.8664 9.0231 9.0288 9.3162 9.3233 9.4149 9.4359 9.5330 9.5578 9.7772 9.8212 k =-0.2143 0.0757 0.2273 ( 14700 PWs) bands (ev): -1.8999 -1.8993 -1.3277 -1.3258 -1.2961 -1.2952 -1.0911 -1.0901 3.9334 3.9476 4.0377 4.0516 4.4148 4.4466 4.7644 4.8113 4.8703 4.9164 5.0342 5.0823 5.1910 5.2726 5.3102 5.4091 5.5629 5.6311 5.6819 5.7301 5.7581 5.8290 5.8801 5.9238 6.7949 6.8011 7.0236 7.0310 7.1246 7.1371 7.1813 7.1907 7.4328 7.4389 7.5289 7.5425 7.5528 7.5563 7.5714 7.5861 7.6856 7.6915 7.8007 7.8085 7.8664 7.8781 7.9308 7.9373 8.0322 8.0462 8.1428 8.1521 8.1952 8.2062 8.3624 8.3784 8.4629 8.4654 8.5343 8.5389 8.7551 8.7611 8.8654 8.8719 9.0061 9.0116 9.3258 9.3324 9.4163 9.4394 9.5255 9.5506 9.7689 9.8136 k =-0.1964 0.0694 0.2083 ( 14688 PWs) bands (ev): -1.9179 -1.9174 -1.3180 -1.3161 -1.2893 -1.2885 -1.0880 -1.0870 3.9152 3.9290 4.0248 4.0374 4.4387 4.4728 4.7640 4.8131 4.8890 4.9299 5.0810 5.1203 5.1841 5.2650 5.3104 5.4180 5.5670 5.6396 5.6842 5.7236 5.7539 5.8203 5.8785 5.9251 6.7675 6.7730 7.0316 7.0399 7.1156 7.1271 7.1932 7.2011 7.4315 7.4426 7.5188 7.5305 7.5450 7.5599 7.5796 7.5812 7.6810 7.6857 7.7927 7.7995 7.8624 7.8728 7.9284 7.9328 8.0281 8.0424 8.1328 8.1424 8.1883 8.2020 8.3643 8.3805 8.4565 8.4596 8.5197 8.5232 8.7666 8.7722 8.8840 8.8894 8.9902 8.9960 9.3283 9.3330 9.4209 9.4452 9.5223 9.5465 9.7592 9.8038 k =-0.1786 0.0631 0.1894 ( 14684 PWs) bands (ev): -1.9348 -1.9343 -1.3085 -1.3066 -1.2830 -1.2822 -1.0855 -1.0844 3.8980 3.9112 4.0122 4.0234 4.4617 4.4979 4.7601 4.8072 4.9173 4.9486 5.1268 5.1516 5.1778 5.2629 5.3112 5.4277 5.5714 5.6472 5.6845 5.7196 5.7498 5.8149 5.8771 5.9261 6.7333 6.7381 7.0400 7.0488 7.1088 7.1187 7.2066 7.2133 7.4309 7.4464 7.5047 7.5164 7.5324 7.5431 7.5938 7.5984 7.6782 7.6815 7.7819 7.7893 7.8619 7.8707 7.9288 7.9307 8.0206 8.0351 8.1184 8.1273 8.1853 8.1999 8.3663 8.3811 8.4505 8.4549 8.5054 8.5084 8.7744 8.7790 8.9109 8.9160 8.9759 8.9824 9.3237 9.3262 9.4238 9.4482 9.5282 9.5492 9.7489 9.7925 k =-0.1607 0.0568 0.1704 ( 14680 PWs) bands (ev): -1.9504 -1.9500 -1.2993 -1.2974 -1.2771 -1.2763 -1.0836 -1.0825 3.8819 3.8943 3.9999 4.0099 4.4832 4.5210 4.7551 4.7998 4.9486 4.9709 5.1638 5.1682 5.1807 5.2677 5.3166 5.4387 5.5768 5.6531 5.6830 5.7188 5.7453 5.8121 5.8759 5.9263 6.6935 6.6975 7.0493 7.0578 7.1050 7.1135 7.2197 7.2253 7.4298 7.4485 7.4868 7.5017 7.5239 7.5290 7.6071 7.6127 7.6760 7.6785 7.7713 7.7795 7.8630 7.8703 7.9307 7.9319 8.0099 8.0246 8.1017 8.1094 8.1845 8.1985 8.3684 8.3808 8.4447 8.4513 8.4909 8.4952 8.7819 8.7852 8.9408 8.9464 8.9635 8.9725 9.3131 9.3146 9.4202 9.4438 9.5452 9.5617 9.7388 9.7809 k =-0.1429 0.0505 0.1515 ( 14680 PWs) bands (ev): -1.9646 -1.9642 -1.2905 -1.2887 -1.2716 -1.2710 -1.0822 -1.0811 3.8672 3.8786 3.9883 3.9971 4.5028 4.5414 4.7504 4.7929 4.9801 4.9955 5.1604 5.1817 5.2093 5.2721 5.3348 5.4522 5.5837 5.6571 5.6818 5.7196 5.7416 5.8107 5.8749 5.9256 6.6494 6.6525 7.0597 7.0668 7.1044 7.1128 7.2317 7.2363 7.4265 7.4461 7.4674 7.4864 7.5186 7.5225 7.6172 7.6233 7.6731 7.6759 7.7635 7.7718 7.8647 7.8707 7.9330 7.9363 7.9970 8.0118 8.0840 8.0906 8.1846 8.1976 8.3707 8.3804 8.4388 8.4476 8.4766 8.4837 8.7913 8.7932 8.9518 8.9536 8.9780 8.9847 9.2980 9.3000 9.4102 9.4327 9.5696 9.5824 9.7297 9.7698 k =-0.1250 0.0442 0.1326 ( 14664 PWs) bands (ev): -1.9773 -1.9769 -1.2821 -1.2804 -1.2667 -1.2662 -1.0813 -1.0803 3.8540 3.8642 3.9776 3.9852 4.5202 4.5584 4.7474 4.7873 5.0104 5.0218 5.1563 5.1819 5.2371 5.2703 5.3656 5.4697 5.5925 5.6591 5.6824 5.7196 5.7401 5.8095 5.8742 5.9235 6.6028 6.6049 7.0704 7.0752 7.1066 7.1179 7.2421 7.2459 7.4198 7.4376 7.4481 7.4709 7.5183 7.5224 7.6244 7.6307 7.6691 7.6722 7.7599 7.7674 7.8664 7.8715 7.9357 7.9405 7.9836 7.9983 8.0666 8.0725 8.1853 8.1970 8.3729 8.3807 8.4322 8.4428 8.4632 8.4741 8.8032 8.8041 8.9430 8.9471 9.0100 9.0160 9.2801 9.2829 9.3963 9.4177 9.5972 9.6075 9.7222 9.7599 k =-0.1071 0.0378 0.1136 ( 14656 PWs) bands (ev): -1.9884 -1.9881 -1.2745 -1.2729 -1.2624 -1.2619 -1.0807 -1.0798 3.8425 3.8514 3.9679 3.9743 4.5351 4.5714 4.7466 4.7832 5.0383 5.0494 5.1540 5.1793 5.2509 5.2680 5.4008 5.4913 5.6040 5.6604 5.6850 5.7180 5.7413 5.8076 5.8738 5.9200 6.5555 6.5565 7.0791 7.0830 7.1132 7.1286 7.2509 7.2539 7.4094 7.4245 7.4302 7.4552 7.5227 7.5259 7.6290 7.6354 7.6637 7.6668 7.7605 7.7666 7.8682 7.8729 7.9359 7.9407 7.9727 7.9864 8.0506 8.0560 8.1867 8.1972 8.3749 8.3820 8.4247 8.4360 8.4516 8.4659 8.8170 8.8185 8.9357 8.9406 9.0414 9.0474 9.2602 9.2637 9.3807 9.4009 9.6252 9.6339 9.7168 9.7515 k =-0.0893 0.0315 0.0947 ( 14664 PWs) bands (ev): -1.9980 -1.9977 -1.2676 -1.2663 -1.2587 -1.2583 -1.0805 -1.0797 3.8326 3.8402 3.9595 3.9648 4.5476 4.5802 4.7483 4.7803 5.0638 5.0765 5.1540 5.1760 5.2470 5.2709 5.4353 5.5141 5.6195 5.6624 5.6888 5.7166 5.7441 5.8046 5.8738 5.9149 6.5089 6.5094 7.0853 7.0895 7.1253 7.1431 7.2581 7.2605 7.3965 7.4092 7.4139 7.4392 7.5293 7.5316 7.6318 7.6380 7.6576 7.6602 7.7640 7.7690 7.8703 7.8753 7.9308 7.9338 7.9670 7.9778 8.0377 8.0421 8.1891 8.1984 8.3767 8.3845 8.4168 8.4270 8.4425 8.4586 8.8324 8.8351 8.9304 8.9356 9.0711 9.0769 9.2389 9.2432 9.3648 9.3834 9.6517 9.6591 9.7136 9.7447 k =-0.0714 0.0252 0.0758 ( 14668 PWs) bands (ev): -2.0058 -2.0056 -1.2618 -1.2606 -1.2556 -1.2552 -1.0805 -1.0798 3.8246 3.8308 3.9524 3.9566 4.5577 4.5852 4.7519 4.7784 5.0873 5.1012 5.1568 5.1727 5.2372 5.2703 5.4664 5.5331 5.6396 5.6664 5.6918 5.7183 5.7473 5.8001 5.8741 5.9082 6.4649 6.4662 7.0905 7.0942 7.1415 7.1594 7.2638 7.2657 7.3832 7.3938 7.3988 7.4228 7.5364 7.5381 7.6333 7.6390 7.6516 7.6536 7.7688 7.7733 7.8733 7.8789 7.9207 7.9233 7.9622 7.9709 8.0292 8.0322 8.1926 8.2006 8.3788 8.3875 8.4089 8.4170 8.4352 8.4516 8.8482 8.8519 8.9277 8.9329 9.0982 9.1035 9.2172 9.2223 9.3494 9.3662 9.6754 9.6816 9.7128 9.7394 k =-0.0536 0.0189 0.0568 ( 14673 PWs) bands (ev): -2.0120 -2.0118 -1.2570 -1.2560 -1.2531 -1.2529 -1.0806 -1.0800 3.8185 3.8231 3.9469 3.9500 4.5659 4.5871 4.7568 4.7770 5.1088 5.1214 5.1626 5.1695 5.2267 5.2643 5.4926 5.5448 5.6579 5.6766 5.6935 5.7254 5.7505 5.7942 5.8745 5.9002 6.4266 6.4283 7.0951 7.0979 7.1592 7.1755 7.2681 7.2696 7.3712 7.3793 7.3859 7.4066 7.5430 7.5443 7.6340 7.6387 7.6464 7.6478 7.7737 7.7779 7.8776 7.8839 7.9101 7.9127 7.9546 7.9627 8.0251 8.0268 8.1970 8.2034 8.3814 8.3905 8.4018 8.4077 8.4294 8.4446 8.8624 8.8663 8.9284 8.9331 9.1219 9.1258 9.1965 9.2027 9.3356 9.3499 9.6949 9.7000 9.7141 9.7352 k =-0.0357 0.0126 0.0379 ( 14657 PWs) bands (ev): -2.0164 -2.0163 -1.2534 -1.2528 -1.2513 -1.2511 -1.0807 -1.0803 3.8143 3.8174 3.9430 3.9451 4.5724 4.5868 4.7619 4.7755 5.1277 5.1362 5.1647 5.1713 5.2187 5.2543 5.5135 5.5490 5.6663 5.6834 5.7087 5.7351 5.7532 5.7864 5.8748 5.8915 6.3966 6.3983 7.0989 7.1008 7.1761 7.1891 7.2712 7.2722 7.3616 7.3664 7.3765 7.3916 7.5483 7.5492 7.6340 7.6373 7.6430 7.6437 7.7782 7.7816 7.8831 7.8898 7.9017 7.9039 7.9452 7.9527 8.0237 8.0246 8.2016 8.2062 8.3845 8.3926 8.3962 8.3999 8.4255 8.4378 8.8729 8.8759 8.9328 8.9362 9.1405 9.1418 9.1794 9.1869 9.3247 9.3355 9.7089 9.7136 9.7177 9.7315 k =-0.0179 0.0063 0.0189 ( 14667 PWs) bands (ev): -2.0191 -2.0190 -1.2512 -1.2508 -1.2502 -1.2501 -1.0808 -1.0805 3.8121 3.8136 3.9408 3.9419 4.5776 4.5848 4.7666 4.7734 5.1421 5.1470 5.1619 5.1726 5.2190 5.2419 5.5294 5.5472 5.6715 5.6805 5.7328 5.7435 5.7557 5.7759 5.8756 5.8837 6.3776 6.3787 7.1015 7.1025 7.1899 7.1973 7.2731 7.2736 7.3554 7.3573 7.3718 7.3797 7.5518 7.5523 7.6338 7.6353 7.6413 7.6415 7.7816 7.7835 7.8891 7.8946 7.8969 7.8985 7.9377 7.9428 8.0235 8.0239 8.2056 8.2079 8.3879 8.3923 8.3931 8.3946 8.4246 8.4317 8.8788 8.8804 8.9387 8.9404 9.1486 9.1506 9.1713 9.1780 9.3183 9.3243 9.7168 9.7214 9.7228 9.7281 k = 0.0000 0.0000 0.0000 ( 14673 PWs) bands (ev): -2.0199 -2.0199 -1.2503 -1.2503 -1.2498 -1.2498 -1.0807 -1.0807 3.8118 3.8118 3.9405 3.9405 4.5817 4.5817 4.7705 4.7705 5.1496 5.1496 5.1658 5.1658 5.2289 5.2289 5.5406 5.5406 5.6762 5.6762 5.7461 5.7461 5.7628 5.7628 5.8782 5.8782 6.3714 6.3714 7.1028 7.1028 7.1976 7.1976 7.2739 7.2739 7.3536 7.3536 7.3727 7.3727 7.5532 7.5532 7.6341 7.6341 7.6408 7.6408 7.7835 7.7835 7.8929 7.8929 7.8974 7.8974 7.9365 7.9365 8.0236 8.0236 8.2078 8.2078 8.3909 8.3909 8.3921 8.3921 8.4269 8.4269 8.8811 8.8811 8.9418 8.9418 9.1503 9.1503 9.1738 9.1738 9.3181 9.3181 9.7214 9.7214 9.7262 9.7262 k = 0.0000 0.0000 0.0000 ( 14673 PWs) bands (ev): -2.0199 -2.0199 -1.2503 -1.2503 -1.2498 -1.2498 -1.0807 -1.0807 3.8118 3.8118 3.9405 3.9405 4.5817 4.5817 4.7705 4.7705 5.1496 5.1496 5.1658 5.1658 5.2289 5.2289 5.5406 5.5406 5.6762 5.6762 5.7461 5.7461 5.7628 5.7628 5.8782 5.8782 6.3714 6.3714 7.1028 7.1028 7.1976 7.1976 7.2739 7.2739 7.3536 7.3536 7.3727 7.3727 7.5532 7.5532 7.6341 7.6341 7.6408 7.6408 7.7835 7.7835 7.8929 7.8929 7.8974 7.8974 7.9365 7.9365 8.0236 8.0236 8.2078 8.2078 8.3909 8.3909 8.3921 8.3921 8.4269 8.4269 8.8811 8.8811 8.9418 8.9418 9.1503 9.1503 9.1738 9.1738 9.3181 9.3181 9.7214 9.7214 9.7262 9.7262 k = 0.0089 0.0253-0.0000 ( 14653 PWs) bands (ev): -2.0188 -2.0188 -1.2499 -1.2498 -1.2493 -1.2492 -1.0805 -1.0805 3.8114 3.8114 3.9424 3.9424 4.5787 4.5787 4.7662 4.7662 5.1431 5.1435 5.1717 5.1721 5.2261 5.2262 5.5385 5.5385 5.6727 5.6727 5.7453 5.7453 5.7600 5.7600 5.8786 5.8786 6.3764 6.3764 7.1022 7.1022 7.2006 7.2006 7.2757 7.2757 7.3536 7.3538 7.3727 7.3729 7.5548 7.5548 7.6355 7.6357 7.6423 7.6425 7.7828 7.7828 7.8935 7.8938 7.8982 7.8984 7.9370 7.9370 8.0240 8.0240 8.2078 8.2078 8.3908 8.3912 8.3923 8.3928 8.4263 8.4263 8.8817 8.8817 8.9423 8.9423 9.1503 9.1503 9.1738 9.1738 9.3170 9.3170 9.7218 9.7220 9.7281 9.7283 k = 0.0179 0.0505-0.0000 ( 14653 PWs) bands (ev): -2.0154 -2.0154 -1.2486 -1.2485 -1.2479 -1.2478 -1.0798 -1.0798 3.8102 3.8103 3.9481 3.9481 4.5699 4.5699 4.7536 4.7536 5.1313 5.1317 5.1822 5.1826 5.2187 5.2188 5.5324 5.5325 5.6622 5.6622 5.7426 5.7426 5.7527 5.7528 5.8796 5.8796 6.3908 6.3908 7.1006 7.1006 7.2091 7.2091 7.2812 7.2812 7.3538 7.3542 7.3730 7.3735 7.5596 7.5596 7.6399 7.6403 7.6469 7.6473 7.7809 7.7809 7.8959 7.8963 7.9008 7.9012 7.9385 7.9385 8.0254 8.0254 8.2079 8.2079 8.3911 8.3917 8.3934 8.3939 8.4243 8.4243 8.8837 8.8838 8.9436 8.9436 9.1503 9.1504 9.1739 9.1740 9.3137 9.3137 9.7239 9.7242 9.7331 9.7334 k = 0.0268 0.0758-0.0000 ( 14665 PWs) bands (ev): -2.0097 -2.0097 -1.2464 -1.2462 -1.2456 -1.2454 -1.0788 -1.0788 3.8085 3.8085 3.9573 3.9573 4.5555 4.5555 4.7334 4.7334 5.1158 5.1161 5.1920 5.1924 5.2091 5.2092 5.5230 5.5230 5.6447 5.6447 5.7360 5.7361 5.7446 5.7447 5.8811 5.8811 6.4134 6.4134 7.0981 7.0981 7.2228 7.2228 7.2904 7.2905 7.3544 7.3550 7.3737 7.3744 7.5673 7.5673 7.6469 7.6474 7.6542 7.6548 7.7779 7.7779 7.8998 7.9003 7.9052 7.9058 7.9412 7.9412 8.0277 8.0277 8.2080 8.2081 8.3918 8.3924 8.3950 8.3956 8.4210 8.4210 8.8872 8.8873 8.9454 8.9455 9.1505 9.1506 9.1743 9.1744 9.3084 9.3084 9.7280 9.7283 9.7408 9.7411 k = 0.0357 0.1011-0.0000 ( 14664 PWs) bands (ev): -2.0019 -2.0019 -1.2434 -1.2432 -1.2424 -1.2422 -1.0774 -1.0773 3.8065 3.8065 3.9695 3.9695 4.5361 4.5361 4.7067 4.7068 5.0945 5.0948 5.1909 5.1910 5.2087 5.2090 5.5103 5.5104 5.6213 5.6213 5.7239 5.7240 5.7391 5.7391 5.8826 5.8826 6.4422 6.4422 7.0947 7.0947 7.2406 7.2406 7.3035 7.3035 7.3555 7.3563 7.3750 7.3758 7.5776 7.5776 7.6559 7.6566 7.6636 7.6643 7.7738 7.7738 7.9052 7.9059 7.9113 7.9120 7.9452 7.9452 8.0310 8.0310 8.2084 8.2084 8.3927 8.3932 8.3969 8.3975 8.4162 8.4162 8.8924 8.8924 8.9474 8.9475 9.1509 9.1510 9.1749 9.1750 9.3011 9.3011 9.7340 9.7343 9.7506 9.7509 k = 0.0446 0.1263-0.0000 ( 14680 PWs) bands (ev): -1.9918 -1.9918 -1.2395 -1.2393 -1.2383 -1.2381 -1.0756 -1.0756 3.8044 3.8044 3.9844 3.9844 4.5121 4.5122 4.6747 4.6748 5.0661 5.0662 5.1799 5.1801 5.2170 5.2174 5.4933 5.4933 5.5950 5.5951 5.7095 5.7095 5.7342 5.7343 5.8838 5.8838 6.4755 6.4756 7.0904 7.0904 7.2617 7.2617 7.3203 7.3203 7.3574 7.3583 7.3770 7.3780 7.5902 7.5902 7.6665 7.6672 7.6744 7.6751 7.7690 7.7690 7.9122 7.9129 7.9191 7.9197 7.9507 7.9508 8.0353 8.0353 8.2091 8.2091 8.3929 8.3933 8.3989 8.3992 8.4107 8.4107 8.8992 8.8993 8.9491 8.9491 9.1517 9.1518 9.1761 9.1762 9.2920 9.2921 9.7408 9.7411 9.7613 9.7615 k = 0.0536 0.1516-0.0000 ( 14688 PWs) bands (ev): -1.9796 -1.9796 -1.2348 -1.2346 -1.2334 -1.2332 -1.0735 -1.0735 3.8023 3.8023 4.0016 4.0016 4.4844 4.4845 4.6385 4.6385 5.0305 5.0305 5.1682 5.1685 5.2249 5.2252 5.4690 5.4691 5.5709 5.5709 5.6942 5.6943 5.7293 5.7294 5.8846 5.8846 6.5116 6.5116 7.0852 7.0852 7.2848 7.2849 7.3407 7.3408 7.3603 7.3613 7.3801 7.3811 7.6046 7.6046 7.6778 7.6785 7.6858 7.6866 7.7639 7.7639 7.9205 7.9211 7.9282 7.9288 7.9581 7.9581 8.0403 8.0403 8.2104 8.2104 8.3899 8.3900 8.4003 8.4005 8.4073 8.4076 8.9076 8.9077 8.9500 8.9501 9.1531 9.1533 9.1780 9.1781 9.2816 9.2816 9.7433 9.7435 9.7679 9.7680 k = 0.0625 0.1769-0.0000 ( 14700 PWs) bands (ev): -1.9654 -1.9654 -1.2294 -1.2292 -1.2279 -1.2277 -1.0712 -1.0712 3.8002 3.8002 4.0207 4.0207 4.4534 4.4535 4.5988 4.5989 4.9892 4.9892 5.1558 5.1561 5.2310 5.2313 5.4353 5.4353 5.5531 5.5532 5.6784 5.6785 5.7246 5.7247 5.8848 5.8848 6.5489 6.5489 7.0792 7.0792 7.3088 7.3088 7.3610 7.3615 7.3678 7.3683 7.3846 7.3857 7.6203 7.6203 7.6892 7.6899 7.6971 7.6978 7.7588 7.7588 7.9299 7.9305 7.9385 7.9391 7.9673 7.9673 8.0460 8.0460 8.2124 8.2124 8.3810 8.3810 8.4015 8.4021 8.4078 8.4085 8.9170 8.9171 8.9503 8.9505 9.1553 9.1555 9.1808 9.1810 9.2702 9.2703 9.7307 9.7307 9.7746 9.7747 k = 0.0714 0.2021-0.0000 ( 14696 PWs) bands (ev): -1.9491 -1.9491 -1.2234 -1.2232 -1.2217 -1.2215 -1.0687 -1.0687 3.7980 3.7980 4.0412 4.0413 4.4198 4.4199 4.5567 4.5568 4.9440 4.9440 5.1418 5.1420 5.2351 5.2353 5.3935 5.3936 5.5421 5.5421 5.6625 5.6625 5.7203 5.7203 5.8845 5.8845 6.5862 6.5862 7.0722 7.0722 7.3321 7.3322 7.3684 7.3694 7.3855 7.3862 7.3978 7.3981 7.6369 7.6369 7.7000 7.7006 7.7076 7.7082 7.7547 7.7547 7.9401 7.9406 7.9496 7.9501 7.9785 7.9785 8.0520 8.0520 8.2152 8.2153 8.3686 8.3686 8.4034 8.4041 8.4101 8.4108 8.9254 8.9256 8.9512 8.9514 9.1584 9.1586 9.1848 9.1851 9.2586 9.2587 9.7104 9.7104 9.7869 9.7871 k = 0.0803 0.2274-0.0000 ( 14688 PWs) bands (ev): -1.9310 -1.9310 -1.2169 -1.2167 -1.2149 -1.2147 -1.0661 -1.0661 3.7956 3.7956 4.0629 4.0629 4.3843 4.3844 4.5127 4.5128 4.8966 4.8966 5.1252 5.1254 5.2370 5.2372 5.3474 5.3474 5.5357 5.5357 5.6464 5.6465 5.7165 5.7166 5.8837 5.8837 6.6224 6.6224 7.0644 7.0644 7.3522 7.3526 7.3769 7.3775 7.3936 7.3945 7.4261 7.4261 7.6540 7.6541 7.7096 7.7101 7.7167 7.7172 7.7523 7.7524 7.9507 7.9511 7.9611 7.9615 7.9916 7.9916 8.0580 8.0580 8.2186 8.2187 8.3550 8.3550 8.4058 8.4066 8.4128 8.4137 8.9286 8.9287 8.9565 8.9567 9.1626 9.1628 9.1902 9.1905 9.2475 9.2476 9.6891 9.6892 9.8015 9.8016 k = 0.0893 0.2527-0.0000 ( 14684 PWs) bands (ev): -1.9110 -1.9110 -1.2099 -1.2097 -1.2078 -1.2075 -1.0635 -1.0635 3.7928 3.7928 4.0849 4.0850 4.3475 4.3476 4.4677 4.4678 4.8484 4.8485 5.1051 5.1052 5.2368 5.2370 5.3005 5.3006 5.5320 5.5320 5.6305 5.6306 5.7135 5.7135 5.8826 5.8827 6.6566 6.6567 7.0557 7.0557 7.3658 7.3667 7.3886 7.3890 7.4035 7.4040 7.4569 7.4569 7.6713 7.6714 7.7177 7.7180 7.7242 7.7245 7.7528 7.7528 7.9614 7.9617 7.9727 7.9730 8.0064 8.0064 8.0640 8.0640 8.2215 8.2216 8.3426 8.3426 8.4087 8.4095 8.4160 8.4169 8.9246 8.9247 8.9676 8.9677 9.1678 9.1680 9.1972 9.1975 9.2377 9.2378 9.6684 9.6685 9.8169 9.8170 k = 0.0982 0.2779-0.0000 ( 14676 PWs) bands (ev): -1.8893 -1.8893 -1.2026 -1.2023 -1.2002 -1.2000 -1.0610 -1.0610 3.7893 3.7893 4.1066 4.1066 4.3100 4.3101 4.4222 4.4223 4.8009 4.8009 5.0807 5.0808 5.2338 5.2339 5.2570 5.2571 5.5297 5.5297 5.6150 5.6151 5.7112 5.7112 5.8815 5.8816 6.6881 6.6882 7.0464 7.0464 7.3743 7.3755 7.3983 7.3994 7.4191 7.4192 7.4868 7.4868 7.6885 7.6885 7.7238 7.7239 7.7301 7.7301 7.7570 7.7570 7.9720 7.9721 7.9840 7.9842 8.0225 8.0225 8.0700 8.0700 8.2215 8.2216 8.3346 8.3347 8.4120 8.4130 8.4195 8.4205 8.9161 8.9162 8.9815 8.9816 9.1736 9.1739 9.2056 9.2060 9.2304 9.2305 9.6485 9.6486 9.8320 9.8320 k = 0.1071 0.3032-0.0000 ( 14680 PWs) bands (ev): -1.8661 -1.8661 -1.1950 -1.1948 -1.1925 -1.1923 -1.0586 -1.0586 3.7848 3.7848 4.1265 4.1265 4.2730 4.2731 4.3769 4.3770 4.7552 4.7552 5.0515 5.0515 5.2121 5.2122 5.2351 5.2354 5.5280 5.5280 5.6001 5.6002 5.7095 5.7095 5.8806 5.8806 6.7162 6.7163 7.0366 7.0366 7.3808 7.3821 7.4053 7.4066 7.4372 7.4372 7.5136 7.5136 7.7049 7.7050 7.7279 7.7279 7.7345 7.7346 7.7664 7.7664 7.9820 7.9820 7.9947 7.9947 8.0394 8.0395 8.0764 8.0764 8.2161 8.2162 8.3349 8.3349 8.4161 8.4171 8.4236 8.4246 8.9048 8.9048 8.9966 8.9967 9.1793 9.1795 9.2151 9.2155 9.2271 9.2273 9.6294 9.6294 9.8456 9.8456 k = 0.1160 0.3285-0.0000 ( 14700 PWs) bands (ev): -1.8413 -1.8413 -1.1873 -1.1871 -1.1847 -1.1845 -1.0566 -1.0566 3.7791 3.7791 4.1417 4.1417 4.2383 4.2384 4.3330 4.3331 4.7123 4.7123 5.0179 5.0180 5.1789 5.1790 5.2296 5.2297 5.5259 5.5259 5.5862 5.5863 5.7082 5.7083 5.8800 5.8800 6.7404 6.7404 7.0264 7.0264 7.3861 7.3875 7.4109 7.4123 7.4543 7.4543 7.5356 7.5356 7.7183 7.7184 7.7300 7.7302 7.7382 7.7382 7.7834 7.7834 7.9914 7.9916 8.0046 8.0048 8.0560 8.0561 8.0837 8.0837 8.2052 8.2053 8.3447 8.3447 8.4209 8.4220 8.4284 8.4295 8.8913 8.8913 9.0122 9.0123 9.1837 9.1838 9.2233 9.2235 9.2315 9.2315 9.6108 9.6109 9.8565 9.8565 k = 0.1250 0.3537-0.0000 ( 14692 PWs) bands (ev): -1.8153 -1.8153 -1.1797 -1.1795 -1.1769 -1.1766 -1.0549 -1.0549 3.7719 3.7719 4.1452 4.1453 4.2108 4.2108 4.2924 4.2925 4.6734 4.6735 4.9819 4.9820 5.1506 5.1506 5.2241 5.2242 5.5229 5.5230 5.5736 5.5737 5.7073 5.7073 5.8798 5.8799 6.7600 6.7601 7.0161 7.0161 7.3901 7.3915 7.4149 7.4163 7.4687 7.4687 7.5528 7.5529 7.7245 7.7249 7.7304 7.7308 7.7437 7.7437 7.8091 7.8091 8.0003 8.0006 8.0138 8.0141 8.0704 8.0705 8.0926 8.0926 8.1931 8.1932 8.3623 8.3624 8.4266 8.4277 8.4340 8.4352 8.8761 8.8761 9.0281 9.0281 9.1863 9.1863 9.2306 9.2307 9.2427 9.2428 9.5927 9.5927 9.8638 9.8639 k = 0.1339 0.3790-0.0000 ( 14720 PWs) bands (ev): -1.7881 -1.7881 -1.1722 -1.1720 -1.1692 -1.1690 -1.0538 -1.0538 3.7630 3.7630 4.1286 4.1288 4.1928 4.1930 4.2606 4.2606 4.6396 4.6396 4.9464 4.9464 5.1267 5.1267 5.2183 5.2183 5.5184 5.5185 5.5628 5.5629 5.7064 5.7065 5.8804 5.8804 6.7748 6.7749 7.0057 7.0057 7.3923 7.3937 7.4168 7.4182 7.4795 7.4795 7.5667 7.5667 7.7241 7.7245 7.7291 7.7295 7.7512 7.7513 7.8412 7.8413 8.0087 8.0091 8.0225 8.0228 8.0809 8.0811 8.1006 8.1006 8.1877 8.1878 8.3854 8.3854 8.4333 8.4344 8.4407 8.4418 8.8598 8.8598 9.0437 9.0438 9.1883 9.1884 9.2400 9.2403 9.2556 9.2558 9.5746 9.5746 9.8674 9.8675 k = 0.1428 0.4043-0.0000 ( 14716 PWs) bands (ev): -1.7599 -1.7599 -1.1651 -1.1649 -1.1619 -1.1617 -1.0533 -1.0533 3.7523 3.7523 4.0994 4.0996 4.1692 4.1695 4.2447 4.2447 4.6118 4.6119 4.9140 4.9141 5.1063 5.1063 5.2121 5.2121 5.5120 5.5121 5.5540 5.5541 5.7054 5.7055 5.8817 5.8817 6.7843 6.7844 6.9956 6.9956 7.3920 7.3934 7.4158 7.4172 7.4864 7.4864 7.5791 7.5791 7.7213 7.7217 7.7265 7.7269 7.7582 7.7582 7.8758 7.8758 8.0166 8.0171 8.0304 8.0309 8.0824 8.0825 8.1084 8.1085 8.1972 8.1974 8.4119 8.4119 8.4410 8.4421 8.4484 8.4496 8.8428 8.8428 9.0587 9.0587 9.1917 9.1917 9.2508 9.2511 9.2686 9.2689 9.5564 9.5564 9.8681 9.8681 k = 0.1517 0.4295-0.0000 ( 14716 PWs) bands (ev): -1.7309 -1.7309 -1.1583 -1.1581 -1.1550 -1.1548 -1.0535 -1.0535 3.7398 3.7399 4.0670 4.0672 4.1361 4.1364 4.2384 4.2384 4.5911 4.5911 4.8871 4.8872 5.0885 5.0886 5.2058 5.2059 5.5040 5.5040 5.5469 5.5471 5.7041 5.7042 5.8838 5.8838 6.7885 6.7885 6.9859 6.9859 7.3886 7.3900 7.4113 7.4126 7.4897 7.4897 7.5915 7.5915 7.7181 7.7186 7.7238 7.7242 7.7637 7.7637 7.9084 7.9084 8.0239 8.0244 8.0377 8.0382 8.0708 8.0709 8.1234 8.1235 8.2216 8.2218 8.4402 8.4402 8.4499 8.4509 8.4574 8.4585 8.8256 8.8256 9.0718 9.0718 9.1980 9.1980 9.2615 9.2618 9.2808 9.2811 9.5377 9.5377 9.8670 9.8671 k = 0.1607 0.4548-0.0000 ( 14736 PWs) bands (ev): -1.7013 -1.7013 -1.1521 -1.1519 -1.1487 -1.1485 -1.0545 -1.0545 3.7258 3.7258 4.0349 4.0351 4.1004 4.1007 4.2308 4.2309 4.5779 4.5779 4.8673 4.8673 5.0729 5.0730 5.1996 5.1997 5.4949 5.4950 5.5410 5.5412 5.7022 5.7023 5.8867 5.8868 6.7872 6.7873 6.9768 6.9768 7.3816 7.3830 7.4026 7.4039 7.4904 7.4904 7.6044 7.6045 7.7157 7.7162 7.7219 7.7224 7.7676 7.7676 7.9358 7.9358 8.0297 8.0302 8.0441 8.0446 8.0549 8.0549 8.1447 8.1448 8.2562 8.2563 8.4593 8.4602 8.4671 8.4678 8.4704 8.4706 8.8088 8.8088 9.0820 9.0820 9.2088 9.2088 9.2707 9.2711 9.2914 9.2916 9.5182 9.5182 9.8624 9.8625 k = 0.1696 0.4801-0.0000 ( 14752 PWs) bands (ev): -1.6712 -1.6712 -1.1466 -1.1464 -1.1430 -1.1428 -1.0564 -1.0564 3.7103 3.7104 4.0043 4.0045 4.0654 4.0657 4.2182 4.2182 4.5720 4.5720 4.8552 4.8553 5.0590 5.0591 5.1937 5.1937 5.4855 5.4856 5.5356 5.5358 5.6997 5.6998 5.8905 5.8905 6.7808 6.7809 6.9683 6.9683 7.3707 7.3719 7.3896 7.3908 7.4896 7.4896 7.6180 7.6180 7.7150 7.7155 7.7219 7.7224 7.7701 7.7701 7.9552 7.9552 8.0299 8.0302 8.0444 8.0446 8.0500 8.0505 8.1702 8.1703 8.2976 8.2977 8.4706 8.4714 8.4790 8.4798 8.4987 8.4987 8.7937 8.7937 9.0883 9.0883 9.2248 9.2249 9.2776 9.2779 9.2997 9.2999 9.4978 9.4979 9.8302 9.8302 k = 0.1785 0.5053-0.0000 ( 14752 PWs) bands (ev): -1.6409 -1.6409 -1.1420 -1.1418 -1.1383 -1.1380 -1.0594 -1.0594 3.6940 3.6941 3.9759 3.9761 4.0325 4.0328 4.2002 4.2002 4.5725 4.5725 4.8510 4.8510 5.0467 5.0468 5.1880 5.1881 5.4762 5.4763 5.5303 5.5305 5.6964 5.6966 5.8950 5.8950 6.7699 6.7699 6.9605 6.9605 7.3558 7.3569 7.3725 7.3736 7.4882 7.4882 7.6318 7.6318 7.7163 7.7169 7.7243 7.7248 7.7715 7.7715 7.9635 7.9635 8.0245 8.0246 8.0458 8.0462 8.0540 8.0545 8.1977 8.1978 8.3432 8.3433 8.4831 8.4838 8.4918 8.4926 8.5260 8.5261 8.7822 8.7822 9.0909 9.0909 9.2450 9.2451 9.2813 9.2816 9.3059 9.3061 9.4767 9.4767 9.7938 9.7938 k = 0.1874 0.5306-0.0000 ( 14728 PWs) bands (ev): -1.6107 -1.6106 -1.1382 -1.1380 -1.1344 -1.1342 -1.0634 -1.0634 3.6774 3.6774 3.9501 3.9504 4.0023 4.0026 4.1779 4.1779 4.5782 4.5782 4.8539 4.8539 5.0358 5.0359 5.1827 5.1828 5.4673 5.4673 5.5250 5.5251 5.6923 5.6925 5.9001 5.9001 6.7551 6.7552 6.9536 6.9537 7.3375 7.3384 7.3520 7.3528 7.4870 7.4870 7.6456 7.6456 7.7199 7.7205 7.7290 7.7295 7.7722 7.7722 7.9597 7.9597 8.0268 8.0268 8.0487 8.0491 8.0567 8.0572 8.2252 8.2253 8.3890 8.3891 8.4969 8.4975 8.5059 8.5066 8.5509 8.5509 8.7775 8.7776 9.0905 9.0905 9.2655 9.2656 9.2815 9.2819 9.3117 9.3119 9.4557 9.4557 9.7585 9.7585 k = 0.1964 0.5559-0.0000 ( 14752 PWs) bands (ev): -1.5806 -1.5806 -1.1355 -1.1353 -1.1316 -1.1314 -1.0686 -1.0686 3.6609 3.6609 3.9273 3.9275 3.9752 3.9755 4.1530 4.1531 4.5881 4.5881 4.8626 4.8626 5.0261 5.0262 5.1778 5.1779 5.4588 5.4589 5.5196 5.5198 5.6874 5.6875 5.9055 5.9055 6.7378 6.7378 6.9476 6.9476 7.3164 7.3171 7.3288 7.3294 7.4864 7.4864 7.6587 7.6587 7.7255 7.7261 7.7357 7.7362 7.7726 7.7726 7.9500 7.9500 8.0349 8.0350 8.0506 8.0510 8.0579 8.0584 8.2511 8.2512 8.4298 8.4298 8.5120 8.5126 8.5212 8.5218 8.5721 8.5721 8.7847 8.7847 9.0881 9.0881 9.2772 9.2773 9.2791 9.2793 9.3218 9.3219 9.4376 9.4376 9.7243 9.7243 k = 0.2053 0.5811-0.0000 ( 14736 PWs) bands (ev): -1.5510 -1.5510 -1.1339 -1.1337 -1.1300 -1.1298 -1.0749 -1.0749 3.6453 3.6453 3.9076 3.9079 3.9514 3.9517 4.1272 4.1273 4.6014 4.6014 4.8756 4.8756 5.0174 5.0176 5.1732 5.1733 5.4509 5.4509 5.5143 5.5145 5.6817 5.6819 5.9110 5.9110 6.7190 6.7191 6.9425 6.9425 7.2934 7.2938 7.3039 7.3043 7.4869 7.4869 7.6703 7.6703 7.7328 7.7334 7.7441 7.7446 7.7732 7.7732 7.9404 7.9404 8.0442 8.0443 8.0514 8.0518 8.0580 8.0583 8.2740 8.2741 8.4599 8.4600 8.5283 8.5288 8.5375 8.5380 8.5897 8.5898 8.8083 8.8084 9.0844 9.0844 9.2714 9.2717 9.2789 9.2791 9.3319 9.3320 9.4304 9.4304 9.6913 9.6913 k = 0.2142 0.6064-0.0000 ( 14736 PWs) bands (ev): -1.5221 -1.5221 -1.1336 -1.1334 -1.1295 -1.1293 -1.0824 -1.0824 3.6310 3.6311 3.8913 3.8916 3.9312 3.9315 4.1019 4.1019 4.6175 4.6176 4.8913 4.8913 5.0098 5.0100 5.1688 5.1689 5.4433 5.4433 5.5094 5.5096 5.6754 5.6755 5.9162 5.9162 6.7002 6.7003 6.9383 6.9383 7.2694 7.2696 7.2782 7.2784 7.4885 7.4885 7.6793 7.6793 7.7414 7.7420 7.7537 7.7542 7.7746 7.7746 7.9339 7.9339 8.0479 8.0482 8.0527 8.0528 8.0604 8.0605 8.2922 8.2922 8.4768 8.4768 8.5452 8.5457 8.5542 8.5547 8.6052 8.6053 8.8497 8.8497 9.0798 9.0798 9.2624 9.2627 9.2724 9.2726 9.3273 9.3273 9.4444 9.4444 9.6593 9.6594 k = 0.2231 0.6317-0.0000 ( 14736 PWs) bands (ev): -1.4941 -1.4941 -1.1345 -1.1343 -1.1304 -1.1302 -1.0911 -1.0911 3.6187 3.6188 3.8785 3.8788 3.9147 3.9149 4.0780 4.0780 4.6362 4.6362 4.9082 4.9083 5.0029 5.0031 5.1645 5.1646 5.4361 5.4361 5.5052 5.5054 5.6686 5.6688 5.9207 5.9208 6.6828 6.6828 6.9349 6.9349 7.2450 7.2451 7.2525 7.2525 7.4914 7.4914 7.6850 7.6850 7.7508 7.7514 7.7640 7.7644 7.7772 7.7772 7.9320 7.9320 8.0455 8.0458 8.0501 8.0504 8.0692 8.0692 8.3032 8.3033 8.4835 8.4835 8.5622 8.5626 8.5711 8.5714 8.6197 8.6197 8.9054 8.9055 9.0747 9.0748 9.2517 9.2519 9.2625 9.2627 9.3093 9.3093 9.4753 9.4754 9.6284 9.6284 k = 0.2321 0.6569-0.0000 ( 14720 PWs) bands (ev): -1.4673 -1.4673 -1.1367 -1.1365 -1.1326 -1.1323 -1.1008 -1.1008 3.6089 3.6089 3.8693 3.8695 3.9019 3.9021 4.0564 4.0564 4.6571 4.6571 4.9252 4.9252 4.9967 4.9969 5.1601 5.1602 5.4292 5.4293 5.5019 5.5021 5.6617 5.6619 5.9243 5.9243 6.6679 6.6679 6.9324 6.9324 7.2209 7.2212 7.2271 7.2274 7.4956 7.4956 7.6870 7.6870 7.7607 7.7612 7.7744 7.7749 7.7812 7.7812 7.9352 7.9352 8.0411 8.0413 8.0455 8.0457 8.0788 8.0788 8.3049 8.3049 8.4864 8.4865 8.5787 8.5789 8.5874 8.5877 8.6326 8.6326 8.9695 8.9696 9.0701 9.0702 9.2404 9.2406 9.2509 9.2510 9.2866 9.2866 9.5133 9.5133 9.5991 9.5991 k = 0.2410 0.6822-0.0000 ( 14748 PWs) bands (ev): -1.4420 -1.4420 -1.1402 -1.1400 -1.1361 -1.1359 -1.1115 -1.1115 3.6019 3.6019 3.8636 3.8639 3.8928 3.8931 4.0378 4.0378 4.6798 4.6798 4.9408 4.9409 4.9910 4.9912 5.1554 5.1556 5.4227 5.4228 5.4998 5.5000 5.6550 5.6552 5.9266 5.9266 6.6566 6.6566 6.9308 6.9308 7.1978 7.1982 7.2031 7.2035 7.5011 7.5011 7.6856 7.6857 7.7705 7.7710 7.7843 7.7845 7.7871 7.7874 7.9433 7.9434 8.0354 8.0355 8.0397 8.0398 8.0877 8.0877 8.2959 8.2960 8.4906 8.4906 8.5938 8.5939 8.6025 8.6026 8.6435 8.6436 9.0267 9.0268 9.0761 9.0762 9.2297 9.2298 9.2389 9.2389 9.2636 9.2637 9.5460 9.5460 9.5802 9.5802 k = 0.2499 0.7075-0.0000 ( 14756 PWs) bands (ev): -1.4185 -1.4185 -1.1451 -1.1449 -1.1409 -1.1407 -1.1229 -1.1229 3.5980 3.5980 3.8615 3.8617 3.8875 3.8877 4.0226 4.0226 4.7039 4.7040 4.9542 4.9543 4.9859 4.9861 5.1503 5.1504 5.4167 5.4168 5.4991 5.4993 5.6488 5.6490 5.9275 5.9276 6.6496 6.6496 6.9302 6.9302 7.1759 7.1764 7.1807 7.1812 7.5077 7.5077 7.6818 7.6818 7.7798 7.7805 7.7920 7.7920 7.7958 7.7964 7.9557 7.9557 8.0288 8.0288 8.0331 8.0332 8.0949 8.0950 8.2782 8.2783 8.4970 8.4970 8.6067 8.6068 8.6154 8.6155 8.6527 8.6527 9.0365 9.0365 9.1271 9.1272 9.2202 9.2204 9.2284 9.2287 9.2435 9.2437 9.5342 9.5342 9.6098 9.6099 k = 0.2588 0.7327-0.0000 ( 14724 PWs) bands (ev): -1.3972 -1.3972 -1.1512 -1.1510 -1.1471 -1.1469 -1.1349 -1.1349 3.5977 3.5977 3.8629 3.8630 3.8858 3.8860 4.0111 4.0111 4.7291 4.7291 4.9640 4.9640 4.9821 4.9823 5.1445 5.1446 5.4115 5.4116 5.4998 5.5000 5.6434 5.6436 5.9272 5.9273 6.6473 6.6473 6.9308 6.9308 7.1556 7.1560 7.1605 7.1609 7.5153 7.5153 7.6762 7.6762 7.7885 7.7892 7.7998 7.7998 7.8050 7.8057 7.9710 7.9710 8.0216 8.0217 8.0263 8.0263 8.0992 8.0992 8.2556 8.2556 8.5039 8.5039 8.6165 8.6167 8.6252 8.6254 8.6607 8.6608 9.0265 9.0265 9.1762 9.1765 9.2080 9.2081 9.2262 9.2263 9.2426 9.2428 9.5118 9.5118 9.6551 9.6552 k = 0.2678 0.7580-0.0000 ( 14708 PWs) bands (ev): -1.3785 -1.3785 -1.1587 -1.1584 -1.1545 -1.1543 -1.1469 -1.1469 3.6009 3.6009 3.8675 3.8677 3.8876 3.8878 4.0036 4.0037 4.7546 4.7547 4.9671 4.9672 4.9821 4.9823 5.1378 5.1379 5.4073 5.4074 5.5021 5.5023 5.6393 5.6395 5.9260 5.9260 6.6495 6.6495 6.9327 6.9327 7.1370 7.1372 7.1426 7.1428 7.5237 7.5238 7.6696 7.6696 7.7960 7.7968 7.8088 7.8088 7.8133 7.8141 7.9877 7.9877 8.0144 8.0145 8.0198 8.0198 8.0980 8.0980 8.2334 8.2334 8.5086 8.5087 8.6222 8.6226 8.6310 8.6314 8.6689 8.6690 9.0120 9.0120 9.1780 9.1782 9.1985 9.1986 9.2192 9.2192 9.2960 9.2961 9.4941 9.4941 9.7031 9.7031 k = 0.2767 0.7833-0.0000 ( 14696 PWs) bands (ev): -1.3629 -1.3629 -1.1673 -1.1671 -1.1632 -1.1630 -1.1585 -1.1584 3.6079 3.6079 3.8753 3.8755 3.8927 3.8929 4.0003 4.0003 4.7796 4.7796 4.9639 4.9639 4.9861 4.9863 5.1300 5.1301 5.4045 5.4046 5.5059 5.5061 5.6368 5.6369 5.9242 5.9242 6.6558 6.6558 6.9361 6.9361 7.1203 7.1204 7.1269 7.1269 7.5327 7.5327 7.6622 7.6622 7.8022 7.8030 7.8186 7.8188 7.8210 7.8215 8.0017 8.0018 8.0077 8.0078 8.0161 8.0161 8.0885 8.0885 8.2173 8.2174 8.5090 8.5091 8.6233 8.6238 8.6323 8.6328 8.6784 8.6785 8.9953 8.9954 9.1586 9.1588 9.1969 9.1969 9.2162 9.2163 9.3551 9.3551 9.4882 9.4882 9.7526 9.7526 k = 0.2856 0.8085-0.0000 ( 14688 PWs) bands (ev): -1.3513 -1.3513 -1.1770 -1.1768 -1.1730 -1.1728 -1.1688 -1.1688 3.6187 3.6187 3.8861 3.8862 3.9009 3.9010 4.0011 4.0011 4.8026 4.8027 4.9582 4.9583 4.9912 4.9913 5.1209 5.1210 5.4032 5.4033 5.5111 5.5113 5.6360 5.6361 5.9223 5.9224 6.6652 6.6652 6.9414 6.9414 7.1055 7.1057 7.1133 7.1134 7.5418 7.5418 7.6546 7.6547 7.8065 7.8073 7.8247 7.8255 7.8322 7.8322 8.0015 8.0017 8.0028 8.0030 8.0208 8.0208 8.0734 8.0734 8.2107 8.2107 8.5036 8.5036 8.6194 8.6199 8.6287 8.6292 8.6901 8.6902 8.9775 8.9775 9.1344 9.1345 9.1989 9.1989 9.2175 9.2176 9.3934 9.3934 9.5063 9.5064 9.8034 9.8034 k = 0.2945 0.8338-0.0000 ( 14684 PWs) bands (ev): -1.3443 -1.3443 -1.1878 -1.1876 -1.1839 -1.1836 -1.1772 -1.1772 3.6332 3.6332 3.8994 3.8995 3.9119 3.9120 4.0061 4.0061 4.8219 4.8220 4.9511 4.9512 4.9982 4.9982 5.1106 5.1107 5.4035 5.4036 5.5177 5.5178 5.6371 5.6373 5.9209 5.9210 6.6769 6.6769 6.9488 6.9488 7.0928 7.0931 7.1019 7.1021 7.5506 7.5506 7.6471 7.6471 7.8087 7.8096 7.8280 7.8288 7.8460 7.8461 7.9965 7.9966 7.9984 7.9985 8.0108 8.0108 8.0708 8.0708 8.2121 8.2121 8.4919 8.4920 8.6102 8.6109 8.6199 8.6205 8.7038 8.7039 8.9594 8.9594 9.1077 9.1078 9.2041 9.2042 9.2227 9.2228 9.4061 9.4061 9.5494 9.5494 9.8544 9.8545 k = 0.3035 0.8591-0.0000 ( 14708 PWs) bands (ev): -1.3426 -1.3426 -1.1995 -1.1992 -1.1956 -1.1954 -1.1828 -1.1827 3.6513 3.6513 3.9151 3.9152 3.9254 3.9255 4.0151 4.0152 4.8355 4.8356 4.9423 4.9425 5.0093 5.0094 5.0994 5.0994 5.4055 5.4055 5.5256 5.5257 5.6402 5.6404 5.9204 5.9205 6.6898 6.6898 6.9585 6.9586 7.0821 7.0825 7.0926 7.0929 7.5582 7.5583 7.6401 7.6402 7.8088 7.8096 7.8290 7.8298 7.8613 7.8613 7.9775 7.9775 7.9941 7.9941 7.9963 7.9963 8.0841 8.0841 8.2186 8.2186 8.4746 8.4747 8.5963 8.5969 8.6063 8.6069 8.7185 8.7186 8.9419 8.9419 9.0798 9.0798 9.2122 9.2122 9.2312 9.2313 9.4091 9.4091 9.5982 9.5983 9.9007 9.9008 k = 0.3124 0.8844-0.0000 ( 14712 PWs) bands (ev): -1.3463 -1.3463 -1.2119 -1.2117 -1.2082 -1.2080 -1.1852 -1.1852 3.6727 3.6727 3.9328 3.9328 3.9411 3.9411 4.0281 4.0282 4.8423 4.8424 4.9320 4.9321 5.0257 5.0258 5.0881 5.0882 5.4090 5.4090 5.5346 5.5348 5.6453 5.6454 5.9211 5.9211 6.7027 6.7028 6.9706 6.9706 7.0735 7.0740 7.0853 7.0857 7.5635 7.5635 7.6344 7.6344 7.8068 7.8075 7.8279 7.8286 7.8772 7.8773 7.9413 7.9414 7.9916 7.9918 7.9935 7.9936 8.1013 8.1013 8.2282 8.2282 8.4526 8.4526 8.5780 8.5786 8.5883 8.5889 8.7323 8.7324 8.9261 8.9261 9.0521 9.0521 9.2225 9.2225 9.2421 9.2422 9.4105 9.4105 9.6416 9.6416 9.9166 9.9168 k = 0.3124 0.8844-0.0000 ( 14712 PWs) bands (ev): -1.3463 -1.3463 -1.2119 -1.2117 -1.2082 -1.2080 -1.1852 -1.1852 3.6727 3.6727 3.9328 3.9328 3.9411 3.9411 4.0281 4.0282 4.8423 4.8424 4.9320 4.9321 5.0257 5.0258 5.0881 5.0882 5.4090 5.4090 5.5346 5.5348 5.6453 5.6454 5.9211 5.9211 6.7027 6.7028 6.9706 6.9706 7.0735 7.0740 7.0853 7.0857 7.5635 7.5635 7.6344 7.6344 7.8068 7.8075 7.8279 7.8286 7.8772 7.8773 7.9413 7.9414 7.9916 7.9918 7.9935 7.9936 8.1013 8.1013 8.2282 8.2282 8.4526 8.4526 8.5780 8.5786 8.5883 8.5889 8.7323 8.7324 8.9261 8.9261 9.0521 9.0521 9.2225 9.2225 9.2421 9.2422 9.4105 9.4105 9.6416 9.6416 9.9167 9.9168 k = 0.3094 0.8759 0.0253 ( 14700 PWs) bands (ev): -1.3455 -1.3453 -1.2101 -1.2093 -1.2051 -1.2039 -1.1813 -1.1807 3.6649 3.6655 3.9237 3.9280 3.9332 3.9395 4.0198 4.0274 4.8325 4.8472 4.9339 4.9386 5.0083 5.0301 5.0925 5.0972 5.3969 5.4159 5.5207 5.5409 5.6409 5.6459 5.9166 5.9259 6.6970 6.7002 6.9642 6.9658 7.0767 7.0793 7.0888 7.0904 7.5614 7.5620 7.6352 7.6355 7.8048 7.8077 7.8260 7.8272 7.8758 7.8765 7.9502 7.9530 7.9901 7.9913 7.9944 7.9985 8.0972 8.0985 8.2234 8.2245 8.4565 8.4582 8.5838 8.5881 8.5951 8.5977 8.7269 8.7278 8.9289 8.9299 9.0567 9.0596 9.2186 9.2203 9.2396 9.2409 9.4104 9.4110 9.6270 9.6305 9.9072 9.9196 k = 0.3064 0.8675 0.0505 ( 14696 PWs) bands (ev): -1.3467 -1.3464 -1.2134 -1.2126 -1.2002 -1.1986 -1.1718 -1.1707 3.6574 3.6583 3.9106 3.9239 3.9274 3.9390 4.0129 4.0272 4.8218 4.8481 4.9363 4.9458 4.9929 5.0345 5.1004 5.1116 5.3835 5.4199 5.5066 5.5450 5.6365 5.6465 5.9135 5.9315 6.6917 6.6976 6.9561 6.9591 7.0818 7.0876 7.0954 7.0995 7.5579 7.5591 7.6346 7.6353 7.7985 7.8026 7.8229 7.8255 7.8804 7.8819 7.9546 7.9594 7.9851 7.9871 8.0020 8.0080 8.0982 8.1005 8.2175 8.2196 8.4546 8.4578 8.5898 8.5982 8.6027 8.6086 8.7211 8.7231 8.9288 8.9311 9.0555 9.0609 9.2135 9.2157 9.2436 9.2478 9.4109 9.4126 9.6131 9.6198 9.8954 9.9081 k = 0.3035 0.8591 0.0758 ( 14709 PWs) bands (ev): -1.3491 -1.3488 -1.2183 -1.2178 -1.1947 -1.1929 -1.1601 -1.1585 3.6498 3.6511 3.8957 3.9146 3.9269 3.9406 4.0078 4.0274 4.8109 4.8454 4.9378 4.9507 4.9843 5.0410 5.1103 5.1285 5.3695 5.4206 5.4935 5.5468 5.6320 5.6466 5.9121 5.9377 6.6869 6.6950 6.9473 6.9517 7.0880 7.0967 7.1058 7.1121 7.5531 7.5549 7.6328 7.6339 7.7888 7.7925 7.8222 7.8263 7.8876 7.8893 7.9558 7.9606 7.9792 7.9828 8.0126 8.0192 8.1036 8.1069 8.2106 8.2139 8.4489 8.4531 8.5946 8.6049 8.6106 8.6175 8.7184 8.7213 8.9265 8.9299 9.0500 9.0568 9.2036 9.2072 9.2566 9.2630 9.4115 9.4151 9.6006 9.6103 9.8831 9.8933 k = 0.3005 0.8507 0.1010 ( 14717 PWs) bands (ev): -1.3523 -1.3519 -1.2237 -1.2233 -1.1894 -1.1875 -1.1476 -1.1455 3.6420 3.6433 3.8805 3.9029 3.9283 3.9444 4.0042 4.0281 4.8003 4.8403 4.9360 4.9489 4.9883 5.0499 5.1210 5.1459 5.3562 5.4176 5.4827 5.5465 5.6276 5.6459 5.9122 5.9441 6.6828 6.6925 6.9387 6.9443 7.0947 7.1055 7.1194 7.1273 7.5473 7.5497 7.6298 7.6317 7.7776 7.7811 7.8235 7.8289 7.8951 7.8962 7.9534 7.9565 7.9762 7.9824 8.0226 8.0296 8.1127 8.1169 8.2032 8.2076 8.4411 8.4460 8.5950 8.6064 8.6146 8.6218 8.7229 8.7261 8.9224 8.9271 9.0421 9.0496 9.1908 9.1960 9.2753 9.2827 9.4116 9.4177 9.5900 9.6029 9.8711 9.8786 k = 0.2975 0.8423 0.1263 ( 14729 PWs) bands (ev): -1.3558 -1.3553 -1.2289 -1.2285 -1.1846 -1.1825 -1.1348 -1.1324 3.6332 3.6345 3.8662 3.8904 3.9302 3.9497 4.0021 4.0301 4.7900 4.8341 4.9287 4.9465 5.0000 5.0605 5.1317 5.1625 5.3447 5.4116 5.4749 5.5440 5.6236 5.6443 5.9136 5.9503 6.6797 6.6902 6.9306 6.9375 7.1013 7.1139 7.1351 7.1441 7.5408 7.5438 7.6261 7.6288 7.7666 7.7701 7.8261 7.8324 7.9011 7.9021 7.9472 7.9492 7.9781 7.9862 8.0302 8.0380 8.1244 8.1294 8.1956 8.2012 8.4328 8.4382 8.5868 8.5970 8.6180 8.6254 8.7347 8.7382 8.9174 8.9234 9.0335 9.0410 9.1768 9.1835 9.2964 9.3040 9.4109 9.4198 9.5818 9.5978 9.8590 9.8646 k = 0.2946 0.8339 0.1515 ( 14725 PWs) bands (ev): -1.3592 -1.3587 -1.2338 -1.2334 -1.1805 -1.1783 -1.1222 -1.1194 3.6229 3.6244 3.8538 3.8787 3.9312 3.9551 4.0025 4.0345 4.7798 4.8274 4.9190 4.9454 5.0130 5.0716 5.1417 5.1769 5.3361 5.4042 5.4700 5.5397 5.6199 5.6424 5.9158 5.9559 6.6778 6.6885 6.9231 6.9311 7.1074 7.1215 7.1521 7.1619 7.5340 7.5376 7.6221 7.6256 7.7562 7.7602 7.8295 7.8363 7.9036 7.9073 7.9388 7.9419 7.9830 7.9920 8.0355 8.0445 8.1373 8.1431 8.1883 8.1950 8.4249 8.4308 8.5705 8.5790 8.6223 8.6299 8.7501 8.7543 8.9119 8.9192 9.0252 9.0325 9.1631 9.1711 9.3172 9.3250 9.4091 9.4208 9.5764 9.5951 9.8405 9.8544 k = 0.2916 0.8255 0.1768 ( 14721 PWs) bands (ev): -1.3623 -1.3618 -1.2383 -1.2378 -1.1770 -1.1747 -1.1100 -1.1069 3.6104 3.6127 3.8443 3.8688 3.9304 3.9578 4.0073 4.0426 4.7695 4.8205 4.9096 4.9445 5.0247 5.0820 5.1501 5.1885 5.3309 5.3979 5.4675 5.5341 5.6166 5.6410 5.9182 5.9606 6.6775 6.6878 6.9162 6.9254 7.1123 7.1276 7.1699 7.1802 7.5274 7.5316 7.6180 7.6224 7.7468 7.7514 7.8333 7.8406 7.9036 7.9106 7.9297 7.9353 7.9889 7.9980 8.0397 8.0499 8.1489 8.1562 8.1827 8.1904 8.4180 8.4245 8.5502 8.5574 8.6266 8.6345 8.7654 8.7708 8.9064 8.9147 9.0181 9.0253 9.1509 9.1600 9.3356 9.3440 9.4063 9.4206 9.5737 9.5943 9.8141 9.8420 k = 0.2886 0.8171 0.2020 ( 14731 PWs) bands (ev): -1.3650 -1.3645 -1.2424 -1.2418 -1.1743 -1.1719 -1.0984 -1.0951 3.5956 3.5992 3.8380 3.8613 3.9275 3.9560 4.0180 4.0546 4.7590 4.8135 4.9014 4.9435 5.0336 5.0904 5.1557 5.1976 5.3280 5.3959 5.4670 5.5279 5.6133 5.6411 5.9203 5.9641 6.6788 6.6883 6.9099 6.9201 7.1157 7.1319 7.1881 7.1987 7.5215 7.5261 7.6144 7.6195 7.7387 7.7439 7.8373 7.8448 7.9016 7.9114 7.9214 7.9292 7.9941 8.0025 8.0441 8.0548 8.1541 8.1631 8.1836 8.1910 8.4123 8.4194 8.5294 8.5357 8.6305 8.6387 8.7784 8.7852 8.9009 8.9098 9.0131 9.0205 9.1412 9.1511 9.3500 9.3599 9.4029 9.4193 9.5732 9.5942 9.7843 9.8177 k = 0.2857 0.8087 0.2273 ( 14735 PWs) bands (ev): -1.3671 -1.3667 -1.2460 -1.2453 -1.1724 -1.1699 -1.0876 -1.0840 3.5789 3.5839 3.8350 3.8567 3.9228 3.9506 4.0337 4.0703 4.7483 4.8060 4.8948 4.9424 5.0390 5.0954 5.1572 5.2052 5.3258 5.4005 5.4681 5.5220 5.6101 5.6434 5.9215 5.9663 6.6819 6.6904 6.9040 6.9152 7.1170 7.1340 7.2063 7.2170 7.5164 7.5216 7.6113 7.6172 7.7319 7.7378 7.8408 7.8486 7.8979 7.9069 7.9166 7.9238 7.9975 8.0047 8.0492 8.0600 8.1512 8.1597 8.1937 8.1989 8.4072 8.4149 8.5113 8.5167 8.6339 8.6425 8.7881 8.7962 8.8953 8.9047 9.0108 9.0189 9.1347 9.1450 9.3592 9.3709 9.4000 9.4176 9.5735 9.5929 9.7553 9.7927 k = 0.2827 0.8002 0.2525 ( 14734 PWs) bands (ev): -1.3687 -1.3682 -1.2491 -1.2482 -1.1713 -1.1688 -1.0776 -1.0737 3.5607 3.5672 3.8351 3.8546 3.9170 3.9430 4.0530 4.0892 4.7373 4.7979 4.8899 4.9411 5.0407 5.0959 5.1546 5.2113 5.3244 5.4112 5.4704 5.5176 5.6074 5.6480 5.9216 5.9671 6.6868 6.6943 6.8984 6.9105 7.1162 7.1338 7.2243 7.2349 7.5125 7.5181 7.6090 7.6156 7.7265 7.7330 7.8433 7.8516 7.8925 7.8981 7.9145 7.9200 7.9985 8.0047 8.0541 8.0650 8.1448 8.1523 8.2059 8.2092 8.4019 8.4102 8.4982 8.5033 8.6368 8.6460 8.7942 8.8034 8.8896 8.8992 9.0114 9.0202 9.1314 9.1420 9.3632 9.3754 9.3988 9.4164 9.5721 9.5876 9.7313 9.7720 k = 0.2797 0.7918 0.2778 ( 14736 PWs) bands (ev): -1.3696 -1.3691 -1.2517 -1.2507 -1.1710 -1.1684 -1.0685 -1.0644 3.5416 3.5495 3.8375 3.8546 3.9107 3.9345 4.0749 4.1104 4.7262 4.7890 4.8866 4.9399 5.0390 5.0917 5.1483 5.2145 5.3259 5.4255 5.4734 5.5159 5.6057 5.6549 5.9201 5.9666 6.6934 6.7001 6.8931 6.9060 7.1132 7.1310 7.2417 7.2523 7.5095 7.5156 7.6075 7.6150 7.7227 7.7294 7.8441 7.8528 7.8855 7.8889 7.9119 7.9185 7.9972 8.0031 8.0576 8.0688 8.1384 8.1442 8.2165 8.2183 8.3965 8.4055 8.4913 8.4974 8.6394 8.6494 8.7977 8.8078 8.8839 8.8939 9.0143 9.0235 9.1308 9.1417 9.3627 9.3736 9.3985 9.4162 9.5666 9.5762 9.7157 9.7580 k = 0.2767 0.7834 0.3030 ( 14726 PWs) bands (ev): -1.3697 -1.3692 -1.2537 -1.2526 -1.1715 -1.1688 -1.0603 -1.0560 3.5224 3.5315 3.8417 3.8560 3.9048 3.9257 4.0984 4.1332 4.7151 4.7795 4.8850 4.9388 5.0345 5.0828 5.1389 5.2136 5.3318 5.4401 5.4761 5.5186 5.6055 5.6640 5.9167 5.9649 6.7015 6.7078 6.8881 6.9016 7.1080 7.1259 7.2585 7.2691 7.5076 7.5140 7.6069 7.6152 7.7202 7.7269 7.8424 7.8515 7.8776 7.8808 7.9098 7.9181 7.9938 7.9999 8.0588 8.0704 8.1336 8.1372 8.2230 8.2248 8.3927 8.4028 8.4898 8.4981 8.6417 8.6529 8.7995 8.8103 8.8790 8.8892 9.0184 9.0274 9.1323 9.1433 9.3574 9.3688 9.3971 9.4168 9.5555 9.5601 9.7091 9.7509 k = 0.2738 0.7750 0.3283 ( 14724 PWs) bands (ev): -1.3692 -1.3687 -1.2554 -1.2542 -1.1727 -1.1700 -1.0531 -1.0486 3.5036 3.5137 3.8467 3.8581 3.8997 3.9172 4.1232 4.1569 4.7043 4.7698 4.8847 4.9379 5.0274 5.0705 5.1269 5.2089 5.3418 5.4524 5.4782 5.5266 5.6070 5.6752 5.9115 5.9625 6.7109 6.7174 6.8832 6.8973 7.1006 7.1184 7.2746 7.2851 7.5064 7.5130 7.6074 7.6163 7.7190 7.7250 7.8380 7.8467 7.8706 7.8745 7.9085 7.9181 7.9879 7.9947 8.0575 8.0690 8.1310 8.1333 8.2242 8.2275 8.3931 8.4042 8.4922 8.5031 8.6439 8.6565 8.8006 8.8122 8.8752 8.8858 9.0230 9.0314 9.1350 9.1456 9.3470 9.3625 9.3944 9.4177 9.5376 9.5449 9.7091 9.7491 k = 0.2708 0.7666 0.3535 ( 14732 PWs) bands (ev): -1.3681 -1.3675 -1.2566 -1.2553 -1.1746 -1.1718 -1.0469 -1.0422 3.4858 3.4967 3.8517 3.8604 3.8960 3.9095 4.1485 4.1808 4.6940 4.7604 4.8856 4.9371 5.0180 5.0562 5.1130 5.2012 5.3543 5.4601 5.4808 5.5392 5.6100 5.6882 5.9043 5.9594 6.7215 6.7285 6.8787 6.8932 7.0914 7.1089 7.2899 7.3005 7.5055 7.5125 7.6089 7.6181 7.7186 7.7233 7.8313 7.8392 7.8652 7.8698 7.9078 7.9184 7.9793 7.9872 8.0544 8.0649 8.1302 8.1336 8.2210 8.2259 8.3984 8.4104 8.4970 8.5104 8.6460 8.6603 8.8019 8.8142 8.8726 8.8835 9.0276 9.0354 9.1381 9.1477 9.3326 9.3534 9.3917 9.4183 9.5185 9.5306 9.7130 9.7506 k = 0.2678 0.7582 0.3788 ( 14734 PWs) bands (ev): -1.3663 -1.3658 -1.2575 -1.2561 -1.1769 -1.1742 -1.0416 -1.0367 3.4696 3.4809 3.8555 3.8629 3.8938 3.9030 4.1737 4.2040 4.6844 4.7518 4.8877 4.9360 5.0058 5.0423 5.0983 5.1917 5.3677 5.4628 5.4849 5.5545 5.6143 5.7028 5.8953 5.9561 6.7330 6.7406 6.8746 6.8894 7.0808 7.0976 7.3043 7.3152 7.5048 7.5120 7.6115 7.6207 7.7186 7.7212 7.8241 7.8309 7.8611 7.8659 7.9075 7.9186 7.9687 7.9773 8.0503 8.0594 8.1319 8.1368 8.2148 8.2210 8.4074 8.4200 8.5031 8.5190 8.6480 8.6640 8.8042 8.8171 8.8708 8.8819 9.0322 9.0396 9.1409 9.1493 9.3158 9.3406 9.3897 9.4182 9.5010 9.5168 9.7192 9.7545 k = 0.2649 0.7498 0.4040 ( 14722 PWs) bands (ev): -1.3641 -1.3635 -1.2582 -1.2567 -1.1797 -1.1769 -1.0373 -1.0322 3.4551 3.4669 3.8572 3.8660 3.8928 3.8979 4.1981 4.2256 4.6758 4.7447 4.8907 4.9345 4.9905 5.0311 5.0839 5.1809 5.3809 5.4625 5.4897 5.5703 5.6193 5.7183 5.8847 5.9527 6.7451 6.7530 6.8710 6.8861 7.0692 7.0851 7.3177 7.3289 7.5039 7.5113 7.6150 7.6237 7.7180 7.7189 7.8176 7.8238 7.8575 7.8620 7.9072 7.9178 7.9577 7.9661 8.0457 8.0535 8.1358 8.1416 8.2071 8.2142 8.4179 8.4306 8.5104 8.5288 8.6499 8.6671 8.8077 8.8211 8.8691 8.8801 9.0370 9.0447 9.1430 9.1506 9.2982 9.3257 9.3879 9.4168 9.4858 9.5036 9.7270 9.7603 k = 0.2619 0.7414 0.4293 ( 14719 PWs) bands (ev): -1.3615 -1.3609 -1.2588 -1.2573 -1.1826 -1.1798 -1.0338 -1.0286 3.4429 3.4550 3.8579 3.8688 3.8921 3.8945 4.2207 4.2447 4.6682 4.7397 4.8945 4.9320 4.9730 5.0238 5.0706 5.1698 5.3930 5.4608 5.4941 5.5847 5.6249 5.7344 5.8728 5.9496 6.7572 6.7651 6.8679 6.8832 7.0576 7.0719 7.3298 7.3414 7.5027 7.5104 7.6192 7.6268 7.7141 7.7186 7.8128 7.8193 7.8541 7.8580 7.9058 7.9145 7.9483 7.9561 8.0410 8.0475 8.1412 8.1477 8.1990 8.2069 8.4276 8.4402 8.5190 8.5397 8.6514 8.6691 8.8126 8.8261 8.8667 8.8775 9.0422 9.0506 9.1444 9.1518 9.2816 9.3108 9.3854 9.4137 9.4728 9.4911 9.7358 9.7675 k = 0.2589 0.7330 0.4545 ( 14713 PWs) bands (ev): -1.3588 -1.3581 -1.2593 -1.2578 -1.1853 -1.1825 -1.0312 -1.0259 3.4331 3.4453 3.8585 3.8712 3.8907 3.8926 4.2405 4.2602 4.6619 4.7371 4.8986 4.9286 4.9557 5.0196 5.0594 5.1591 5.4035 5.4584 5.4977 5.5964 5.6306 5.7501 5.8603 5.9468 6.7687 6.7760 6.8653 6.8808 7.0469 7.0590 7.3402 7.3522 7.5014 7.5092 7.6236 7.6296 7.7095 7.7180 7.8101 7.8180 7.8511 7.8540 7.9014 7.9089 7.9406 7.9515 8.0363 8.0417 8.1476 8.1543 8.1910 8.1996 8.4350 8.4474 8.5284 8.5512 8.6527 8.6700 8.8185 8.8316 8.8631 8.8738 9.0475 9.0569 9.1457 9.1534 9.2675 9.2978 9.3818 9.4086 9.4626 9.4798 9.7447 9.7749 k = 0.2559 0.7246 0.4798 ( 14715 PWs) bands (ev): -1.3562 -1.3556 -1.2600 -1.2584 -1.1876 -1.1847 -1.0294 -1.0240 3.4259 3.4383 3.8595 3.8733 3.8889 3.8910 4.2563 4.2713 4.6573 4.7367 4.9026 4.9247 4.9411 5.0174 5.0511 5.1499 5.4117 5.4560 5.5005 5.6046 5.6359 5.7646 5.8481 5.9446 6.7787 6.7847 6.8631 6.8789 7.0386 7.0476 7.3482 7.3606 7.5002 7.5080 7.6276 7.6318 7.7051 7.7171 7.8095 7.8192 7.8487 7.8504 7.8937 7.9032 7.9355 7.9516 8.0324 8.0364 8.1545 8.1609 8.1835 8.1930 8.4398 8.4519 8.5371 8.5616 8.6540 8.6699 8.8249 8.8364 8.8590 8.8692 9.0523 9.0623 9.1474 9.1553 9.2569 9.2882 9.3773 9.4024 9.4557 9.4705 9.7525 9.7813 k = 0.2530 0.7161 0.5050 ( 14713 PWs) bands (ev): -1.3543 -1.3537 -1.2606 -1.2590 -1.1891 -1.1862 -1.0283 -1.0229 3.4215 3.4340 3.8609 3.8756 3.8870 3.8889 4.2671 4.2775 4.6546 4.7376 4.9052 4.9213 4.9317 5.0160 5.0465 5.1434 5.4171 5.4541 5.5024 5.6092 5.6397 5.7758 5.8382 5.9432 6.7862 6.7899 6.8614 6.8776 7.0339 7.0389 7.3532 7.3659 7.4995 7.5072 7.6305 7.6331 7.7017 7.7162 7.8101 7.8215 7.8472 7.8478 7.8868 7.8983 7.9334 7.9529 8.0298 8.0323 8.1615 8.1665 8.1767 8.1875 8.4422 8.4542 8.5434 8.5689 8.6554 8.6694 8.8311 8.8387 8.8558 8.8649 9.0555 9.0657 9.1492 9.1571 9.2506 9.2827 9.3729 9.3972 9.4517 9.4646 9.7579 9.7855 k = 0.2500 0.7077 0.5303 ( 14708 PWs) bands (ev): -1.3535 -1.3529 -1.2608 -1.2593 -1.1896 -1.1868 -1.0280 -1.0226 3.4200 3.4325 3.8617 3.8771 3.8858 3.8875 4.2711 4.2792 4.6538 4.7382 4.9058 4.9201 4.9286 5.0153 5.0452 5.1410 5.4191 5.4534 5.5030 5.6107 5.6412 5.7803 5.8341 5.9428 6.7895 6.7912 6.8607 6.8771 7.0336 7.0345 7.3549 7.3677 7.4992 7.5070 7.6318 7.6333 7.7005 7.7158 7.8106 7.8227 7.8467 7.8470 7.8840 7.8963 7.9328 7.9535 8.0290 8.0306 8.1669 8.1675 8.1730 8.1851 8.4428 8.4549 8.5456 8.5715 8.6561 8.6693 8.8359 8.8369 8.8551 8.8629 9.0566 9.0669 9.1500 9.1580 9.2487 9.2810 9.3709 9.3951 9.4504 9.4625 9.7599 9.7871 k = 0.2500 0.7077 0.5303 ( 14708 PWs) bands (ev): -1.3535 -1.3529 -1.2608 -1.2593 -1.1896 -1.1868 -1.0280 -1.0226 3.4200 3.4325 3.8617 3.8771 3.8858 3.8875 4.2711 4.2792 4.6538 4.7382 4.9058 4.9201 4.9286 5.0153 5.0452 5.1410 5.4191 5.4534 5.5030 5.6107 5.6412 5.7803 5.8341 5.9428 6.7895 6.7912 6.8607 6.8771 7.0336 7.0345 7.3549 7.3677 7.4992 7.5070 7.6318 7.6333 7.7005 7.7158 7.8106 7.8227 7.8467 7.8470 7.8840 7.8963 7.9328 7.9535 8.0290 8.0306 8.1669 8.1675 8.1730 8.1851 8.4428 8.4549 8.5456 8.5715 8.6561 8.6693 8.8359 8.8369 8.8551 8.8629 9.0566 9.0669 9.1500 9.1580 9.2487 9.2810 9.3709 9.3951 9.4504 9.4625 9.7599 9.7871 k = 0.2321 0.7140 0.5113 ( 14710 PWs) bands (ev): -1.3541 -1.3535 -1.2603 -1.2588 -1.1893 -1.1864 -1.0283 -1.0229 3.4214 3.4339 3.8613 3.8765 3.8860 3.8876 4.2664 4.2771 4.6547 4.7375 4.9069 4.9215 4.9310 5.0163 5.0464 5.1437 5.4170 5.4541 5.5022 5.6093 5.6393 5.7754 5.8384 5.9432 6.7855 6.7898 6.8610 6.8772 7.0341 7.0394 7.3531 7.3658 7.4994 7.5072 7.6305 7.6332 7.7020 7.7164 7.8111 7.8228 7.8462 7.8468 7.8873 7.8984 7.9334 7.9527 8.0298 8.0325 8.1616 8.1666 8.1769 8.1876 8.4423 8.4543 8.5430 8.5685 8.6553 8.6695 8.8307 8.8388 8.8560 8.8652 9.0552 9.0655 9.1497 9.1575 9.2510 9.2830 9.3735 9.3980 9.4507 9.4638 9.7578 9.7856 k = 0.2143 0.7203 0.4924 ( 14718 PWs) bands (ev): -1.3558 -1.3552 -1.2588 -1.2573 -1.1882 -1.1853 -1.0292 -1.0238 3.4255 3.4379 3.8599 3.8745 3.8859 3.8884 4.2541 4.2697 4.6574 4.7356 4.9102 4.9252 4.9379 5.0188 5.0508 5.1515 5.4113 5.4554 5.4997 5.6051 5.6338 5.7637 5.8483 5.9443 6.7760 6.7836 6.8620 6.8780 7.0395 7.0491 7.3479 7.3602 7.4999 7.5077 7.6277 7.6323 7.7059 7.7178 7.8126 7.8235 7.8456 7.8468 7.8957 7.9037 7.9362 7.9510 8.0328 8.0371 8.1555 8.1622 8.1830 8.1926 8.4405 8.4526 8.5355 8.5602 8.6531 8.6693 8.8234 8.8356 8.8607 8.8706 9.0516 9.0620 9.1484 9.1556 9.2584 9.2892 9.3803 9.4055 9.4523 9.4681 9.7523 9.7812 k = 0.1964 0.7267 0.4735 ( 14716 PWs) bands (ev): -1.3584 -1.3578 -1.2565 -1.2550 -1.1863 -1.1835 -1.0307 -1.0254 3.4323 3.4446 3.8571 3.8709 3.8856 3.8907 4.2358 4.2566 4.6616 4.7333 4.9152 4.9308 4.9484 5.0218 5.0596 5.1633 5.4033 5.4562 5.4957 5.5978 5.6253 5.7492 5.8599 5.9460 6.7630 6.7730 6.8640 6.8796 7.0490 7.0616 7.3397 7.3517 7.5005 7.5081 7.6243 7.6311 7.7110 7.7196 7.8150 7.8251 7.8457 7.8477 7.9045 7.9107 7.9433 7.9512 8.0371 8.0429 8.1503 8.1579 8.1889 8.1977 8.4378 8.4499 8.5247 8.5479 8.6497 8.6676 8.8147 8.8282 8.8681 8.8776 9.0472 9.0572 9.1456 9.1514 9.2707 9.2994 9.3883 9.4152 9.4567 9.4764 9.7449 9.7744 k = 0.1786 0.7330 0.4545 ( 14724 PWs) bands (ev): -1.3616 -1.3610 -1.2538 -1.2523 -1.1837 -1.1809 -1.0327 -1.0275 3.4417 3.4539 3.8525 3.8658 3.8859 3.8941 4.2129 4.2383 4.6669 4.7315 4.9219 4.9382 4.9609 5.0248 5.0735 5.1781 5.3940 5.4555 5.4905 5.5875 5.6149 5.7336 5.8716 5.9480 6.7479 6.7592 6.8672 6.8822 7.0609 7.0756 7.3295 7.3409 7.5010 7.5083 7.6211 7.6298 7.7161 7.7213 7.8176 7.8274 7.8478 7.8504 7.9081 7.9193 7.9526 7.9599 8.0420 8.0487 8.1467 8.1549 8.1939 8.2023 8.4342 8.4463 8.5118 8.5333 8.6450 8.6638 8.8043 8.8182 8.8764 8.8855 9.0429 9.0523 9.1411 9.1457 9.2864 9.3127 9.3950 9.4233 9.4666 9.4895 9.7377 9.7665 k = 0.1607 0.7393 0.4356 ( 14734 PWs) bands (ev): -1.3652 -1.3646 -1.2509 -1.2495 -1.1803 -1.1775 -1.0353 -1.0302 3.4536 3.4656 3.8458 3.8590 3.8872 3.8986 4.1868 4.2160 4.6729 4.7306 4.9301 4.9469 4.9744 5.0283 5.0915 5.1947 5.3839 5.4526 5.4845 5.5740 5.6037 5.7178 5.8826 5.9500 6.7318 6.7437 6.8713 6.8858 7.0740 7.0896 7.3178 7.3286 7.5012 7.5080 7.6187 7.6288 7.7200 7.7223 7.8198 7.8298 7.8521 7.8557 7.9096 7.9236 7.9662 7.9767 8.0466 8.0539 8.1450 8.1537 8.1978 8.2058 8.4300 8.4420 8.4982 8.5177 8.6393 8.6581 8.7925 8.8060 8.8847 8.8936 9.0395 9.0479 9.1347 9.1396 9.3035 9.3274 9.3990 9.4279 9.4829 9.5068 9.7326 9.7593 k = 0.1429 0.7456 0.4166 ( 14718 PWs) bands (ev): -1.3689 -1.3684 -1.2482 -1.2469 -1.1763 -1.1734 -1.0383 -1.0334 3.4679 3.4795 3.8371 3.8502 3.8897 3.9040 4.1586 4.1908 4.6795 4.7305 4.9394 4.9568 4.9880 5.0327 5.1122 5.2116 5.3742 5.4470 5.4780 5.5576 5.5928 5.7020 5.8928 5.9518 6.7160 6.7277 6.8764 6.8901 7.0872 7.1029 7.3054 7.3156 7.5011 7.5072 7.6173 7.6284 7.7217 7.7230 7.8217 7.8320 7.8584 7.8633 7.9111 7.9251 7.9846 7.9957 8.0512 8.0587 8.1455 8.1545 8.2005 8.2079 8.4254 8.4372 8.4848 8.5022 8.6327 8.6507 8.7797 8.7925 8.8924 8.9013 9.0372 9.0443 9.1271 9.1332 9.3202 9.3417 9.4011 9.4295 9.5036 9.5267 9.7308 9.7543 k = 0.1250 0.7519 0.3977 ( 14722 PWs) bands (ev): -1.3725 -1.3721 -1.2457 -1.2445 -1.1715 -1.1688 -1.0416 -1.0370 3.4842 3.4955 3.8265 3.8396 3.8933 3.9103 4.1294 4.1639 4.6864 4.7311 4.9497 4.9675 5.0013 5.0382 5.1340 5.2277 5.3657 5.4386 5.4711 5.5392 5.5830 5.6865 5.9020 5.9531 6.7010 6.7122 6.8819 6.8947 7.0997 7.1150 7.2929 7.3023 7.5007 7.5060 7.6171 7.6286 7.7207 7.7234 7.8235 7.8340 7.8658 7.8717 7.9134 7.9265 8.0042 8.0139 8.0564 8.0642 8.1480 8.1570 8.2020 8.2087 8.4205 8.4320 8.4723 8.4875 8.6256 8.6422 8.7666 8.7783 8.8992 8.9083 9.0358 9.0416 9.1190 9.1265 9.3350 9.3541 9.4024 9.4292 9.5261 9.5473 9.7327 9.7522 k = 0.1071 0.7582 0.3788 ( 14722 PWs) bands (ev): -1.3759 -1.3755 -1.2436 -1.2425 -1.1664 -1.1637 -1.0453 -1.0410 3.5023 3.5131 3.8142 3.8270 3.8981 3.9175 4.1005 4.1365 4.6934 4.7320 4.9608 4.9784 5.0137 5.0449 5.1556 5.2413 5.3598 5.4282 5.4635 5.5195 5.5752 5.6714 5.9103 5.9538 6.6876 6.6978 6.8878 6.8995 7.1113 7.1256 7.2807 7.2892 7.5001 7.5047 7.6179 7.6295 7.7184 7.7224 7.8255 7.8360 7.8732 7.8795 7.9170 7.9286 8.0215 8.0285 8.0638 8.0733 8.1522 8.1606 8.2024 8.2082 8.4149 8.4259 8.4614 8.4744 8.6184 8.6330 8.7538 8.7643 8.9053 8.9145 9.0348 9.0396 9.1107 9.1191 9.3473 9.3634 9.4048 9.4280 9.5477 9.5663 9.7375 9.7528 k = 0.0893 0.7645 0.3598 ( 14730 PWs) bands (ev): -1.3790 -1.3787 -1.2418 -1.2409 -1.1610 -1.1585 -1.0490 -1.0451 3.5217 3.5319 3.8005 3.8126 3.9039 3.9257 4.0728 4.1095 4.7003 4.7329 4.9723 4.9892 5.0247 5.0525 5.1755 5.2512 5.3579 5.4169 5.4549 5.4992 5.5700 5.6565 5.9176 5.9539 6.6761 6.6850 6.8936 6.9039 7.1217 7.1346 7.2692 7.2768 7.4996 7.5034 7.6197 7.6308 7.7152 7.7200 7.8279 7.8377 7.8798 7.8857 7.9220 7.9317 8.0329 8.0383 8.0752 8.0871 8.1578 8.1648 8.2018 8.2068 8.4080 8.4181 8.4531 8.4640 8.6115 8.6237 8.7423 8.7511 8.9109 8.9200 9.0337 9.0379 9.1027 9.1112 9.3565 9.3694 9.4090 9.4268 9.5662 9.5819 9.7442 9.7552 k = 0.0714 0.7708 0.3409 ( 14734 PWs) bands (ev): -1.3816 -1.3813 -1.2404 -1.2396 -1.1558 -1.1535 -1.0526 -1.0491 3.5418 3.5513 3.7857 3.7969 3.9109 3.9346 4.0472 4.0837 4.7070 4.7334 4.9837 4.9990 5.0344 5.0601 5.1928 5.2568 5.3606 5.4065 5.4453 5.4791 5.5680 5.6419 5.9242 5.9532 6.6666 6.6741 6.8991 6.9079 7.1309 7.1419 7.2589 7.2654 7.4991 7.5022 7.6223 7.6324 7.7116 7.7166 7.8303 7.8390 7.8851 7.8901 7.9280 7.9356 8.0390 8.0440 8.0902 8.1029 8.1641 8.1685 8.2010 8.2062 8.3991 8.4079 8.4483 8.4572 8.6051 8.6147 8.7324 8.7395 8.9162 8.9250 9.0320 9.0361 9.0954 9.1032 9.3626 9.3735 9.4144 9.4263 9.5803 9.5928 9.7514 9.7587 k = 0.0536 0.7771 0.3220 ( 14732 PWs) bands (ev): -1.3837 -1.3835 -1.2394 -1.2388 -1.1509 -1.1490 -1.0558 -1.0530 3.5617 3.5700 3.7707 3.7804 3.9192 3.9438 4.0249 4.0597 4.7133 4.7334 4.9944 5.0072 5.0430 5.0661 5.2072 5.2582 5.3672 5.3992 5.4348 5.4596 5.5693 5.6278 5.9300 5.9518 6.6595 6.6652 6.9041 6.9109 7.1387 7.1475 7.2502 7.2554 7.4989 7.5011 7.6253 7.6339 7.7082 7.7129 7.8327 7.8397 7.8891 7.8928 7.9340 7.9394 8.0428 8.0470 8.1058 8.1174 8.1684 8.1711 8.2014 8.2082 8.3887 8.3957 8.4466 8.4535 8.5996 8.6066 8.7247 8.7299 8.9215 8.9293 9.0296 9.0339 9.0894 9.0957 9.3666 9.3762 9.4195 9.4268 9.5897 9.5989 9.7577 9.7623 k = 0.0357 0.7834 0.3030 ( 14730 PWs) bands (ev): -1.3852 -1.3851 -1.2386 -1.2382 -1.1469 -1.1455 -1.0583 -1.0563 3.5798 3.5863 3.7573 3.7648 3.9285 3.9520 4.0078 4.0382 4.7189 4.7324 5.0037 5.0130 5.0510 5.0692 5.2194 5.2557 5.3762 5.3969 5.4239 5.4414 5.5737 5.6143 5.9351 5.9497 6.6546 6.6586 6.9082 6.9130 7.1451 7.1514 7.2436 7.2474 7.4988 7.5003 7.6285 7.6347 7.7056 7.7093 7.8348 7.8397 7.8919 7.8943 7.9392 7.9427 8.0455 8.0485 8.1194 8.1285 8.1680 8.1718 8.2058 8.2127 8.3786 8.3835 8.4471 8.4518 8.5955 8.6000 8.7194 8.7228 8.9264 8.9325 9.0271 9.0310 9.0854 9.0896 9.3698 9.3775 9.4235 9.4278 9.5954 9.6013 9.7624 9.7653 k = 0.0179 0.7897 0.2841 ( 14732 PWs) bands (ev): -1.3861 -1.3860 -1.2381 -1.2379 -1.1441 -1.1434 -1.0597 -1.0587 3.5937 3.5974 3.7480 3.7522 3.9388 3.9548 4.0002 4.0198 4.7237 4.7305 5.0107 5.0156 5.0585 5.0686 5.2304 5.2495 5.3865 5.3994 5.4137 5.4255 5.5809 5.6017 5.9396 5.9469 6.6521 6.6541 6.9113 6.9137 7.1499 7.1532 7.2398 7.2418 7.4989 7.4996 7.6314 7.6347 7.7043 7.7064 7.8367 7.8392 7.8937 7.8949 7.9429 7.9446 8.0474 8.0490 8.1299 8.1353 8.1661 8.1692 8.2126 8.2168 8.3712 8.3738 8.4484 8.4508 8.5932 8.5953 8.7165 8.7182 8.9307 8.9340 9.0255 9.0280 9.0834 9.0855 9.3728 9.3772 9.4263 9.4284 9.5987 9.6015 9.7654 9.7669 k = 0.0000 0.7960 0.2651 ( 14736 PWs) bands (ev): -1.3864 -1.3864 -1.2379 -1.2379 -1.1429 -1.1429 -1.0599 -1.0599 3.6003 3.6003 3.7459 3.7459 3.9489 3.9489 4.0057 4.0057 4.7276 4.7276 5.0148 5.0148 5.0647 5.0647 5.2406 5.2406 5.3967 5.3967 5.4136 5.4136 5.5904 5.5904 5.9436 5.9436 6.6520 6.6520 6.9132 6.9132 7.1527 7.1527 7.2392 7.2392 7.4992 7.4992 7.6335 7.6335 7.7046 7.7046 7.8381 7.8381 7.8947 7.8947 7.9447 7.9447 8.0486 8.0486 8.1358 8.1358 8.1663 8.1663 8.2171 8.2171 8.3693 8.3693 8.4498 8.4498 8.5930 8.5930 8.7161 8.7161 8.9334 8.9334 9.0259 9.0259 9.0834 9.0834 9.3755 9.3755 9.4280 9.4280 9.6006 9.6006 9.7669 9.7669 k = 0.0000 0.7960 0.2651 ( 14736 PWs) bands (ev): -1.3864 -1.3864 -1.2379 -1.2379 -1.1429 -1.1429 -1.0599 -1.0599 3.6003 3.6003 3.7459 3.7459 3.9489 3.9489 4.0057 4.0057 4.7276 4.7276 5.0148 5.0148 5.0647 5.0647 5.2406 5.2406 5.3967 5.3967 5.4136 5.4136 5.5904 5.5904 5.9436 5.9436 6.6520 6.6520 6.9132 6.9132 7.1527 7.1527 7.2392 7.2392 7.4992 7.4992 7.6335 7.6335 7.7046 7.7046 7.8381 7.8381 7.8947 7.8947 7.9447 7.9447 8.0486 8.0486 8.1358 8.1358 8.1663 8.1663 8.2171 8.2171 8.3693 8.3693 8.4498 8.4498 8.5930 8.5930 8.7161 8.7161 8.9334 8.9334 9.0259 9.0259 9.0834 9.0834 9.3755 9.3755 9.4280 9.4280 9.6006 9.6006 9.7669 9.7669 k =-0.0195 0.7905 0.2817 ( 14739 PWs) bands (ev): -1.3861 -1.3860 -1.2378 -1.2377 -1.1434 -1.1431 -1.0606 -1.0604 3.5999 3.6008 3.7458 3.7488 3.9475 3.9498 4.0042 4.0074 4.7247 4.7320 5.0104 5.0173 5.0584 5.0698 5.2289 5.2532 5.3781 5.4008 5.4113 5.4309 5.5799 5.6000 5.9390 5.9486 6.6515 6.6527 6.9129 6.9137 7.1513 7.1530 7.2376 7.2395 7.4991 7.4999 7.6294 7.6342 7.7046 7.7087 7.8366 7.8388 7.8930 7.8944 7.9454 7.9474 8.0477 8.0488 8.1338 8.1357 8.1618 8.1667 8.2147 8.2173 8.3719 8.3729 8.4491 8.4504 8.5940 8.5955 8.7170 8.7179 8.9318 8.9343 9.0251 9.0259 9.0843 9.0851 9.3739 9.3756 9.4263 9.4298 9.5965 9.6031 9.7636 9.7706 k =-0.0390 0.7850 0.2983 ( 14729 PWs) bands (ev): -1.3852 -1.3850 -1.2373 -1.2372 -1.1447 -1.1440 -1.0627 -1.0622 3.5997 3.6015 3.7485 3.7543 3.9456 3.9501 4.0029 4.0093 4.7234 4.7378 5.0043 5.0180 5.0512 5.0735 5.2183 5.2661 5.3570 5.3921 5.4212 5.4520 5.5691 5.6083 5.9351 5.9536 6.6512 6.6537 6.9129 6.9143 7.1491 7.1523 7.2349 7.2386 7.4999 7.5015 7.6233 7.6314 7.7088 7.7155 7.8342 7.8387 7.8903 7.8924 7.9491 7.9525 8.0463 8.0485 8.1282 8.1328 8.1560 8.1638 8.2108 8.2148 8.3799 8.3811 8.4494 8.4517 8.5982 8.6009 8.7206 8.7223 8.9296 8.9344 9.0238 9.0254 9.0877 9.0893 9.3710 9.3741 9.4251 9.4320 9.5911 9.6037 9.7613 9.7748 k =-0.0586 0.7795 0.3149 ( 14729 PWs) bands (ev): -1.3836 -1.3833 -1.2366 -1.2364 -1.1467 -1.1457 -1.0660 -1.0652 3.6000 3.6024 3.7539 3.7622 3.9433 3.9497 4.0018 4.0112 4.7236 4.7448 4.9967 5.0169 5.0433 5.0756 5.2091 5.2788 5.3357 5.3844 5.4304 5.4739 5.5588 5.6150 5.9319 5.9584 6.6511 6.6549 6.9132 6.9152 7.1460 7.1504 7.2308 7.2361 7.5013 7.5037 7.6169 7.6267 7.7159 7.7236 7.8310 7.8376 7.8878 7.8902 7.9542 7.9585 8.0442 8.0476 8.1170 8.1245 8.1535 8.1615 8.2057 8.2099 8.3897 8.3907 8.4530 8.4561 8.6048 8.6084 8.7262 8.7285 8.9266 8.9336 9.0222 9.0247 9.0936 9.0961 9.3667 9.3709 9.4243 9.4344 9.5844 9.6017 9.7609 9.7798 k =-0.0781 0.7740 0.3314 ( 14734 PWs) bands (ev): -1.3814 -1.3811 -1.2356 -1.2353 -1.1493 -1.1480 -1.0706 -1.0696 3.6008 3.6036 3.7617 3.7724 3.9406 3.9487 4.0010 4.0131 4.7255 4.7531 4.9880 5.0141 5.0351 5.0760 5.2012 5.2906 5.3146 5.3778 5.4390 5.4954 5.5502 5.6204 5.9293 5.9623 6.6515 6.6565 6.9137 6.9164 7.1422 7.1475 7.2252 7.2320 7.5035 7.5065 7.6115 7.6218 7.7245 7.7321 7.8270 7.8358 7.8864 7.8888 7.9594 7.9641 8.0413 8.0459 8.1018 8.1115 8.1545 8.1615 8.1992 8.2029 8.3971 8.3994 8.4621 8.4665 8.6126 8.6168 8.7329 8.7356 8.9231 8.9319 9.0205 9.0243 9.1020 9.1055 9.3607 9.3660 9.4239 9.4369 9.5763 9.5970 9.7633 9.7863 k =-0.0976 0.7684 0.3480 ( 14731 PWs) bands (ev): -1.3786 -1.3783 -1.2342 -1.2338 -1.1526 -1.1510 -1.0764 -1.0752 3.6022 3.6052 3.7718 3.7844 3.9376 3.9471 4.0003 4.0150 4.7290 4.7625 4.9786 5.0100 5.0266 5.0747 5.1942 5.2911 5.3039 5.3732 5.4466 5.5155 5.5446 5.6246 5.9271 5.9651 6.6522 6.6585 6.9145 6.9178 7.1377 7.1436 7.2179 7.2258 7.5062 7.5099 7.6082 7.6182 7.7337 7.7402 7.8227 7.8335 7.8863 7.8888 7.9635 7.9684 8.0372 8.0427 8.0860 8.0968 8.1573 8.1630 8.1914 8.1941 8.4020 8.4056 8.4772 8.4829 8.6207 8.6252 8.7392 8.7422 8.9196 8.9298 9.0192 9.0245 9.1127 9.1170 9.3530 9.3595 9.4239 9.4392 9.5672 9.5898 9.7690 9.7943 k =-0.1171 0.7629 0.3646 ( 14739 PWs) bands (ev): -1.3754 -1.3750 -1.2325 -1.2321 -1.1564 -1.1546 -1.0834 -1.0820 3.6045 3.6074 3.7838 3.7982 3.9345 3.9450 3.9999 4.0168 4.7342 4.7728 4.9692 5.0048 5.0182 5.0719 5.1872 5.2711 5.3117 5.3719 5.4529 5.5295 5.5468 5.6280 5.9250 5.9663 6.6535 6.6610 6.9157 6.9195 7.1326 7.1388 7.2086 7.2175 7.5095 7.5137 7.6073 7.6165 7.7428 7.7477 7.8184 7.8311 7.8874 7.8901 7.9659 7.9707 8.0314 8.0369 8.0727 8.0832 8.1603 8.1640 8.1831 8.1850 8.4062 8.4107 8.4965 8.5033 8.6282 8.6328 8.7435 8.7466 8.9172 8.9282 9.0188 9.0254 9.1252 9.1303 9.3435 9.3515 9.4240 9.4407 9.5578 9.5809 9.7777 9.8034 k =-0.1367 0.7574 0.3811 ( 14734 PWs) bands (ev): -1.3717 -1.3712 -1.2306 -1.2300 -1.1608 -1.1587 -1.0916 -1.0900 3.6076 3.6103 3.7975 3.8132 3.9312 3.9424 3.9995 4.0184 4.7410 4.7839 4.9605 4.9989 5.0097 5.0676 5.1795 5.2503 5.3182 5.3751 5.4577 5.5329 5.5610 5.6308 5.9229 5.9659 6.6555 6.6641 6.9174 6.9216 7.1271 7.1332 7.1974 7.2069 7.5137 7.5181 7.6088 7.6171 7.7516 7.7543 7.8145 7.8291 7.8896 7.8925 7.9660 7.9703 8.0238 8.0279 8.0637 8.0722 8.1578 8.1629 8.1756 8.1815 8.4112 8.4160 8.5177 8.5254 8.6343 8.6388 8.7444 8.7475 8.9167 8.9278 9.0195 9.0275 9.1388 9.1446 9.3323 9.3418 9.4237 9.4410 9.5498 9.5721 9.7889 9.8128 k =-0.1562 0.7519 0.3977 ( 14732 PWs) bands (ev): -1.3676 -1.3672 -1.2283 -1.2277 -1.1656 -1.1634 -1.1009 -1.0992 3.6117 3.6141 3.8125 3.8292 3.9281 3.9397 3.9992 4.0197 4.7494 4.7954 4.9530 4.9929 5.0012 5.0621 5.1703 5.2296 5.3236 5.3824 5.4613 5.5347 5.5773 5.6335 5.9205 5.9638 6.6582 6.6677 6.9198 6.9243 7.1211 7.1269 7.1844 7.1941 7.5187 7.5230 7.6124 7.6196 7.7594 7.7605 7.8114 7.8277 7.8922 7.8957 7.9638 7.9672 8.0153 8.0179 8.0576 8.0638 8.1479 8.1542 8.1768 8.1837 8.4175 8.4226 8.5391 8.5479 8.6386 8.6427 8.7412 8.7441 8.9185 8.9290 9.0221 9.0310 9.1527 9.1590 9.3197 9.3305 9.4226 9.4393 9.5447 9.5651 9.8016 9.8218 k =-0.1757 0.7464 0.4143 ( 14727 PWs) bands (ev): -1.3634 -1.3629 -1.2257 -1.2250 -1.1709 -1.1684 -1.1112 -1.1094 3.6166 3.6187 3.8284 3.8457 3.9254 3.9369 3.9992 4.0207 4.7592 4.8071 4.9473 4.9866 4.9930 5.0558 5.1595 5.2089 5.3297 5.3922 5.4643 5.5372 5.5923 5.6361 5.9180 5.9601 6.6618 6.6718 6.9230 6.9277 7.1150 7.1202 7.1698 7.1795 7.5245 7.5286 7.6174 7.6235 7.7652 7.7680 7.8093 7.8270 7.8944 7.8989 7.9596 7.9625 8.0077 8.0094 8.0518 8.0568 8.1356 8.1418 8.1820 8.1882 8.4251 8.4302 8.5593 8.5692 8.6406 8.6440 8.7344 8.7369 8.9219 8.9313 9.0269 9.0365 9.1662 9.1726 9.3056 9.3172 9.4206 9.4354 9.5441 9.5619 9.8151 9.8312 k =-0.1952 0.7408 0.4309 ( 14729 PWs) bands (ev): -1.3591 -1.3586 -1.2228 -1.2220 -1.1764 -1.1738 -1.1224 -1.1206 3.6224 3.6242 3.8450 3.8624 3.9232 3.9344 3.9994 4.0215 4.7703 4.8184 4.9439 4.9792 4.9864 5.0489 5.1477 5.1882 5.3375 5.4025 5.4680 5.5399 5.6052 5.6386 5.9156 5.9552 6.6660 6.6762 6.9272 6.9318 7.1087 7.1132 7.1541 7.1634 7.5311 7.5348 7.6229 7.6279 7.7707 7.7759 7.8082 7.8269 7.8949 7.9006 7.9550 7.9587 8.0016 8.0032 8.0447 8.0496 8.1232 8.1291 8.1883 8.1936 8.4335 8.4387 8.5766 8.5881 8.6401 8.6427 8.7257 8.7273 8.9259 8.9339 9.0339 9.0437 9.1786 9.1849 9.2905 9.3021 9.4181 9.4298 9.5485 9.5634 9.8289 9.8423 k =-0.2148 0.7353 0.4474 ( 14735 PWs) bands (ev): -1.3549 -1.3544 -1.2197 -1.2187 -1.1821 -1.1794 -1.1345 -1.1326 3.6291 3.6305 3.8618 3.8785 3.9219 3.9325 4.0003 4.0221 4.7825 4.8287 4.9428 4.9707 4.9821 5.0421 5.1354 5.1679 5.3474 5.4114 5.4735 5.5422 5.6157 5.6410 5.9136 5.9492 6.6710 6.6809 6.9324 6.9369 7.1024 7.1062 7.1381 7.1466 7.5381 7.5412 7.6281 7.6318 7.7767 7.7844 7.8080 7.8272 7.8925 7.8989 7.9533 7.9578 7.9970 7.9989 8.0356 8.0409 8.1120 8.1173 8.1951 8.1996 8.4422 8.4472 8.5895 8.6023 8.6366 8.6388 8.7174 8.7183 8.9296 8.9359 9.0424 9.0521 9.1895 9.1954 9.2748 9.2855 9.4155 9.4238 9.5575 9.5698 9.8434 9.8559 k =-0.2343 0.7298 0.4640 ( 14719 PWs) bands (ev): -1.3510 -1.3506 -1.2163 -1.2152 -1.1880 -1.1852 -1.1470 -1.1452 3.6364 3.6377 3.8785 3.8933 3.9218 3.9317 4.0022 4.0226 4.7953 4.8373 4.9432 4.9618 4.9806 5.0359 5.1234 5.1480 5.3590 5.4173 5.4819 5.5436 5.6240 5.6430 5.9124 5.9429 6.6766 6.6856 6.9389 6.9429 7.0962 7.0992 7.1225 7.1298 7.5451 7.5475 7.6322 7.6348 7.7838 7.7939 7.8083 7.8277 7.8871 7.8935 7.9556 7.9601 7.9937 7.9958 8.0246 8.0300 8.1029 8.1073 8.2022 8.2058 8.4502 8.4549 8.5965 8.6093 8.6299 8.6319 8.7121 8.7138 8.9323 8.9371 9.0511 9.0603 9.1990 9.2040 9.2595 9.2687 9.4134 9.4185 9.5703 9.5804 9.8592 9.8717 k =-0.2538 0.7243 0.4806 ( 14706 PWs) bands (ev): -1.3478 -1.3474 -1.2129 -1.2115 -1.1940 -1.1911 -1.1597 -1.1580 3.6445 3.6456 3.8946 3.9062 3.9233 3.9322 4.0056 4.0232 4.8083 4.8434 4.9427 4.9536 4.9837 5.0313 5.1121 5.1291 5.3717 5.4197 5.4931 5.5437 5.6305 5.6443 5.9124 5.9366 6.6827 6.6901 6.9465 6.9499 7.0901 7.0925 7.1084 7.1139 7.5515 7.5533 7.6349 7.6365 7.7916 7.8042 7.8091 7.8282 7.8807 7.8861 7.9591 7.9638 7.9913 7.9939 8.0123 8.0177 8.0966 8.0999 8.2093 8.2121 8.4566 8.4607 8.5973 8.6081 8.6203 8.6216 8.7127 8.7149 8.9336 8.9370 9.0583 9.0661 9.2071 9.2110 9.2467 9.2535 9.4118 9.4144 9.5860 9.5941 9.8762 9.8888 k =-0.2733 0.7188 0.4971 ( 14698 PWs) bands (ev): -1.3456 -1.3453 -1.2098 -1.2080 -1.1999 -1.1970 -1.1717 -1.1704 3.6533 3.6541 3.9097 3.9165 3.9266 3.9343 4.0110 4.0242 4.8210 4.8465 4.9395 4.9462 4.9930 5.0286 5.1019 5.1119 5.3847 5.4188 5.5064 5.5423 5.6358 5.6450 5.9138 5.9306 6.6891 6.6945 6.9548 6.9573 7.0838 7.0860 7.0971 7.1003 7.5569 7.5580 7.6361 7.6369 7.7993 7.8088 7.8158 7.8287 7.8753 7.8789 7.9598 7.9648 7.9900 7.9930 8.0009 8.0060 8.0938 8.0960 8.2162 8.2181 8.4602 8.4632 8.5932 8.6006 8.6088 8.6096 8.7182 8.7200 8.9332 8.9353 9.0618 9.0675 9.2133 9.2161 9.2391 9.2427 9.4108 9.4118 9.6038 9.6096 9.8932 9.9057 k =-0.2929 0.7132 0.5137 ( 14698 PWs) bands (ev): -1.3449 -1.3447 -1.2085 -1.2069 -1.2048 -1.2027 -1.1814 -1.1807 3.6627 3.6632 3.9227 3.9250 3.9323 3.9374 4.0187 4.0257 4.8326 4.8463 4.9353 4.9392 5.0078 5.0273 5.0935 5.0976 5.3974 5.4151 5.5206 5.5393 5.6406 5.6452 5.9168 5.9254 6.6958 6.6987 6.9632 6.9646 7.0777 7.0794 7.0895 7.0907 7.5609 7.5615 7.6359 7.6362 7.8050 7.8089 7.8247 7.8290 7.8734 7.8746 7.9540 7.9568 7.9910 7.9926 7.9942 7.9978 8.0952 8.0963 8.2225 8.2235 8.4593 8.4609 8.5860 8.5896 8.5976 8.5986 8.7256 8.7264 8.9308 8.9318 9.0599 9.0628 9.2176 9.2194 9.2383 9.2391 9.4103 9.4106 9.6227 9.6258 9.9075 9.9188 k =-0.3124 0.7077 0.5303 ( 14712 PWs) bands (ev): -1.3463 -1.3463 -1.2119 -1.2117 -1.2082 -1.2080 -1.1852 -1.1852 3.6727 3.6727 3.9328 3.9328 3.9411 3.9411 4.0281 4.0282 4.8423 4.8424 4.9320 4.9321 5.0257 5.0258 5.0881 5.0882 5.4090 5.4090 5.5346 5.5348 5.6453 5.6454 5.9211 5.9211 6.7027 6.7028 6.9706 6.9706 7.0735 7.0740 7.0853 7.0857 7.5635 7.5635 7.6344 7.6344 7.8068 7.8075 7.8279 7.8286 7.8772 7.8773 7.9413 7.9414 7.9916 7.9918 7.9935 7.9936 8.1013 8.1013 8.2282 8.2282 8.4526 8.4526 8.5780 8.5786 8.5883 8.5889 8.7323 8.7324 8.9261 8.9261 9.0521 9.0521 9.2225 9.2225 9.2421 9.2422 9.4105 9.4105 9.6416 9.6416 9.9166 9.9168 k =-0.3124 0.7077 0.5303 ( 14712 PWs) bands (ev): -1.3463 -1.3463 -1.2119 -1.2117 -1.2082 -1.2080 -1.1852 -1.1852 3.6727 3.6727 3.9328 3.9328 3.9411 3.9411 4.0281 4.0282 4.8423 4.8424 4.9320 4.9321 5.0257 5.0258 5.0881 5.0882 5.4090 5.4090 5.5346 5.5348 5.6453 5.6454 5.9211 5.9211 6.7027 6.7028 6.9706 6.9706 7.0735 7.0740 7.0853 7.0857 7.5635 7.5635 7.6344 7.6344 7.8068 7.8075 7.8279 7.8286 7.8772 7.8773 7.9413 7.9414 7.9916 7.9918 7.9935 7.9936 8.1013 8.1013 8.2282 8.2282 8.4526 8.4526 8.5780 8.5786 8.5883 8.5889 8.7323 8.7324 8.9261 8.9261 9.0521 9.0521 9.2225 9.2225 9.2421 9.2422 9.4105 9.4105 9.6416 9.6416 9.9166 9.9167 k =-0.3213 0.6824 0.5303 ( 14680 PWs) bands (ev): -1.3549 -1.3549 -1.2251 -1.2249 -1.2215 -1.2212 -1.1850 -1.1850 3.6973 3.6973 3.9521 3.9521 3.9584 3.9585 4.0449 4.0450 4.8424 4.8425 4.9206 4.9208 5.0426 5.0428 5.0818 5.0819 5.4137 5.4137 5.5448 5.5449 5.6520 5.6521 5.9230 5.9231 6.7152 6.7152 6.9848 6.9848 7.0669 7.0674 7.0799 7.0804 7.5647 7.5647 7.6307 7.6307 7.8027 7.8033 7.8248 7.8253 7.8887 7.8889 7.9093 7.9095 7.9901 7.9903 7.9927 7.9928 8.1187 8.1187 8.2400 8.2400 8.4269 8.4269 8.5560 8.5566 8.5666 8.5672 8.7425 8.7426 8.9134 8.9134 9.0264 9.0264 9.2341 9.2342 9.2546 9.2547 9.4120 9.4120 9.6741 9.6741 9.9044 9.9045 k =-0.3303 0.6571 0.5303 ( 14704 PWs) bands (ev): -1.3673 -1.3673 -1.2388 -1.2386 -1.2353 -1.2351 -1.1829 -1.1829 3.7246 3.7246 3.9727 3.9727 3.9771 3.9772 4.0652 4.0653 4.8370 4.8371 4.9095 4.9097 5.0441 5.0443 5.0956 5.0957 5.4194 5.4194 5.5558 5.5559 5.6603 5.6603 5.9264 5.9264 6.7265 6.7266 7.0003 7.0003 7.0623 7.0628 7.0763 7.0768 7.5605 7.5606 7.6290 7.6291 7.7969 7.7974 7.8199 7.8203 7.8647 7.8648 7.9160 7.9160 7.9892 7.9893 7.9931 7.9931 8.1350 8.1350 8.2535 8.2536 8.3984 8.3984 8.5310 8.5316 8.5418 8.5423 8.7461 8.7461 8.9060 8.9060 9.0044 9.0044 9.2463 9.2464 9.2678 9.2678 9.4135 9.4135 9.6921 9.6921 9.8917 9.8918 k =-0.3392 0.6319 0.5303 ( 14720 PWs) bands (ev): -1.3824 -1.3824 -1.2529 -1.2527 -1.2495 -1.2493 -1.1797 -1.1797 3.7543 3.7544 3.9939 3.9941 3.9964 3.9967 4.0887 4.0888 4.8270 4.8271 4.8999 4.9001 5.0335 5.0336 5.1254 5.1255 5.4257 5.4257 5.5674 5.5676 5.6697 5.6698 5.9311 5.9312 6.7368 6.7368 7.0160 7.0161 7.0597 7.0602 7.0744 7.0750 7.5507 7.5507 7.6281 7.6282 7.7893 7.7897 7.8133 7.8135 7.8367 7.8367 7.9326 7.9326 7.9885 7.9885 7.9942 7.9942 8.1496 8.1496 8.2688 8.2688 8.3681 8.3681 8.5038 8.5044 8.5146 8.5151 8.7407 8.7408 8.9044 8.9044 8.9880 8.9881 9.2583 9.2583 9.2808 9.2808 9.4145 9.4145 9.6938 9.6938 9.8836 9.8837 k =-0.3481 0.6066 0.5303 ( 14728 PWs) bands (ev): -1.3993 -1.3993 -1.2673 -1.2670 -1.2639 -1.2637 -1.1762 -1.1762 3.7860 3.7860 4.0146 4.0150 4.0169 4.0174 4.1152 4.1152 4.8134 4.8135 4.8931 4.8932 5.0207 5.0208 5.1605 5.1606 5.4323 5.4323 5.5796 5.5797 5.6799 5.6800 5.9372 5.9372 6.7460 6.7460 7.0306 7.0306 7.0592 7.0598 7.0742 7.0748 7.5354 7.5354 7.6262 7.6263 7.7802 7.7805 7.8043 7.8044 7.8175 7.8176 7.9494 7.9495 7.9877 7.9879 7.9954 7.9956 8.1619 8.1619 8.2855 8.2855 8.3371 8.3372 8.4751 8.4756 8.4856 8.4862 8.7273 8.7273 8.9058 8.9058 8.9799 8.9799 9.2693 9.2694 9.2930 9.2931 9.4145 9.4145 9.6818 9.6818 9.8753 9.8753 k =-0.3571 0.5813 0.5303 ( 14728 PWs) bands (ev): -1.4173 -1.4173 -1.2817 -1.2815 -1.2785 -1.2783 -1.1729 -1.1729 3.8191 3.8191 4.0338 4.0341 4.0388 4.0392 4.1443 4.1443 4.7972 4.7973 4.8896 4.8898 5.0084 5.0085 5.1981 5.1982 5.4388 5.4389 5.5920 5.5921 5.6905 5.6906 5.9444 5.9445 6.7543 6.7543 7.0419 7.0420 7.0612 7.0617 7.0755 7.0761 7.5149 7.5150 7.6225 7.6225 7.7708 7.7710 7.7943 7.7944 7.8071 7.8071 7.9657 7.9657 7.9866 7.9868 7.9966 7.9969 8.1715 8.1716 8.2973 8.2975 8.3124 8.3125 8.4454 8.4459 8.4556 8.4562 8.7086 8.7086 8.9055 8.9055 8.9819 8.9820 9.2789 9.2790 9.3039 9.3040 9.4130 9.4130 9.6612 9.6612 9.8646 9.8646 k =-0.3660 0.5560 0.5303 ( 14760 PWs) bands (ev): -1.4358 -1.4358 -1.2961 -1.2959 -1.2930 -1.2928 -1.1699 -1.1699 3.8531 3.8531 4.0516 4.0519 4.0606 4.0609 4.1756 4.1757 4.7795 4.7797 4.8899 4.8900 4.9975 4.9976 5.2370 5.2371 5.4452 5.4452 5.6044 5.6046 5.7011 5.7012 5.9529 5.9529 6.7621 6.7621 7.0489 7.0491 7.0653 7.0657 7.0783 7.0790 7.4903 7.4903 7.6178 7.6179 7.7623 7.7625 7.7865 7.7866 7.8003 7.8003 7.9805 7.9806 7.9850 7.9853 7.9977 7.9980 8.1779 8.1780 8.2727 8.2728 8.3263 8.3264 8.4153 8.4159 8.4251 8.4256 8.6876 8.6876 8.9022 8.9022 8.9928 8.9928 9.2867 9.2868 9.3132 9.3133 9.4097 9.4097 9.6362 9.6362 9.8532 9.8533 k =-0.3749 0.5307 0.5303 ( 14768 PWs) bands (ev): -1.4544 -1.4544 -1.3103 -1.3101 -1.3074 -1.3071 -1.1675 -1.1675 3.8875 3.8875 4.0679 4.0681 4.0816 4.0819 4.2089 4.2089 4.7614 4.7615 4.8939 4.8940 4.9888 4.9889 5.2763 5.2764 5.4512 5.4512 5.6167 5.6169 5.7113 5.7114 5.9623 5.9623 6.7694 6.7695 7.0522 7.0524 7.0691 7.0696 7.0827 7.0833 7.4631 7.4631 7.6137 7.6137 7.7547 7.7548 7.7804 7.7805 7.7960 7.7961 7.9817 7.9820 7.9922 7.9924 8.0010 8.0012 8.1800 8.1801 8.2458 8.2458 8.3455 8.3456 8.3857 8.3863 8.3948 8.3954 8.6667 8.6668 8.8975 8.8975 9.0087 9.0087 9.2925 9.2925 9.3206 9.3207 9.4044 9.4044 9.6094 9.6094 9.8422 9.8423 k =-0.3839 0.5054 0.5303 ( 14748 PWs) bands (ev): -1.4727 -1.4727 -1.3242 -1.3239 -1.3213 -1.3211 -1.1656 -1.1656 3.9216 3.9216 4.0822 4.0823 4.1013 4.1016 4.2437 4.2437 4.7435 4.7436 4.9016 4.9017 4.9827 4.9828 5.3150 5.3151 5.4570 5.4571 5.6288 5.6289 5.7208 5.7209 5.9726 5.9726 6.7765 6.7765 7.0511 7.0512 7.0723 7.0728 7.0884 7.0890 7.4354 7.4354 7.6112 7.6112 7.7471 7.7472 7.7743 7.7743 7.7942 7.7943 7.9777 7.9780 7.9935 7.9939 8.0120 8.0120 8.1751 8.1751 8.2255 8.2255 8.3525 8.3528 8.3617 8.3617 8.3722 8.3725 8.6479 8.6479 8.8929 8.8929 9.0264 9.0264 9.2962 9.2962 9.3262 9.3263 9.3971 9.3971 9.5822 9.5823 9.8320 9.8322 k =-0.3928 0.4801 0.5303 ( 14736 PWs) bands (ev): -1.4906 -1.4906 -1.3376 -1.3374 -1.3349 -1.3347 -1.1642 -1.1642 3.9550 3.9550 4.0943 4.0944 4.1195 4.1197 4.2795 4.2796 4.7264 4.7266 4.9129 4.9131 4.9795 4.9796 5.3514 5.3515 5.4636 5.4637 5.6405 5.6406 5.7291 5.7293 5.9837 5.9837 6.7831 6.7831 7.0426 7.0426 7.0771 7.0777 7.0955 7.0961 7.4093 7.4093 7.6108 7.6108 7.7393 7.7394 7.7677 7.7677 7.7935 7.7936 7.9723 7.9727 7.9913 7.9918 8.0234 8.0235 8.1614 8.1615 8.2157 8.2157 8.3264 8.3269 8.3345 8.3350 8.3855 8.3856 8.6328 8.6329 8.8891 8.8891 9.0442 9.0442 9.2979 9.2980 9.3299 9.3300 9.3880 9.3880 9.5555 9.5555 9.8229 9.8231 k =-0.4017 0.4548 0.5303 ( 14732 PWs) bands (ev): -1.5077 -1.5077 -1.3504 -1.3502 -1.3478 -1.3476 -1.1634 -1.1634 3.9870 3.9870 4.1042 4.1043 4.1356 4.1358 4.3160 4.3160 4.7108 4.7109 4.9274 4.9275 4.9797 4.9798 5.3826 5.3827 5.4731 5.4732 5.6519 5.6521 5.7363 5.7364 5.9953 5.9954 6.7889 6.7889 7.0265 7.0265 7.0843 7.0848 7.1040 7.1045 7.3859 7.3859 7.6125 7.6125 7.7314 7.7314 7.7609 7.7610 7.7925 7.7925 7.9655 7.9659 7.9874 7.9879 8.0320 8.0321 8.1448 8.1449 8.2128 8.2129 8.2995 8.3000 8.3073 8.3077 8.3990 8.3990 8.6232 8.6232 8.8861 8.8862 9.0611 9.0611 9.2979 9.2980 9.3318 9.3319 9.3773 9.3773 9.5297 9.5298 9.8149 9.8151 k =-0.4107 0.4295 0.5303 ( 14700 PWs) bands (ev): -1.5239 -1.5239 -1.3625 -1.3623 -1.3601 -1.3599 -1.1630 -1.1630 4.0171 4.0171 4.1120 4.1120 4.1497 4.1498 4.3525 4.3525 4.6969 4.6970 4.9442 4.9443 4.9835 4.9836 5.4043 5.4044 5.4888 5.4889 5.6632 5.6633 5.7423 5.7425 6.0073 6.0073 6.7929 6.7929 7.0049 7.0049 7.0932 7.0937 7.1136 7.1142 7.3655 7.3655 7.6161 7.6161 7.7234 7.7235 7.7541 7.7543 7.7898 7.7898 7.9574 7.9577 7.9820 7.9825 8.0352 8.0352 8.1324 8.1325 8.2130 8.2130 8.2743 8.2747 8.2820 8.2823 8.4075 8.4075 8.6203 8.6203 8.8838 8.8838 9.0763 9.0763 9.2965 9.2966 9.3321 9.3322 9.3657 9.3657 9.5052 9.5053 9.8080 9.8082 k =-0.4196 0.4042 0.5303 ( 14700 PWs) bands (ev): -1.5391 -1.5391 -1.3738 -1.3736 -1.3715 -1.3713 -1.1630 -1.1630 4.0448 4.0448 4.1178 4.1178 4.1615 4.1617 4.3884 4.3885 4.6850 4.6851 4.9617 4.9618 4.9919 4.9920 5.4149 5.4149 5.5110 5.5112 5.6745 5.6746 5.7478 5.7479 6.0193 6.0194 6.7938 6.7938 6.9811 6.9811 7.1035 7.1040 7.1243 7.1248 7.3479 7.3479 7.6210 7.6210 7.7154 7.7155 7.7474 7.7477 7.7848 7.7849 7.9482 7.9485 7.9751 7.9756 8.0313 8.0313 8.1276 8.1277 8.2149 8.2149 8.2512 8.2514 8.2590 8.2592 8.4101 8.4101 8.6246 8.6246 8.8819 8.8819 9.0895 9.0895 9.2940 9.2942 9.3306 9.3307 9.3540 9.3540 9.4823 9.4823 9.8021 9.8023 k =-0.4285 0.3789 0.5303 ( 14704 PWs) bands (ev): -1.5530 -1.5530 -1.3842 -1.3840 -1.3819 -1.3818 -1.1633 -1.1633 4.0697 4.0697 4.1220 4.1221 4.1712 4.1713 4.4233 4.4233 4.6753 4.6754 4.9773 4.9774 5.0063 5.0063 5.4175 5.4175 5.5352 5.5355 5.6858 5.6858 5.7539 5.7540 6.0311 6.0311 6.7892 6.7892 6.9590 6.9591 7.1149 7.1154 7.1358 7.1363 7.3328 7.3328 7.6269 7.6269 7.7074 7.7075 7.7410 7.7413 7.7776 7.7776 7.9382 7.9384 7.9670 7.9674 8.0218 8.0219 8.1292 8.1293 8.2173 8.2173 8.2314 8.2314 8.2389 8.2389 8.4072 8.4072 8.6353 8.6353 8.8800 8.8800 9.1005 9.1005 9.2909 9.2910 9.3262 9.3262 9.3441 9.3441 9.4610 9.4610 9.7971 9.7973 k =-0.4375 0.3537 0.5303 ( 14672 PWs) bands (ev): -1.5655 -1.5655 -1.3935 -1.3934 -1.3914 -1.3913 -1.1637 -1.1637 4.0911 4.0911 4.1253 4.1253 4.1789 4.1790 4.4564 4.4564 4.6677 4.6678 4.9903 4.9903 5.0259 5.0260 5.4157 5.4157 5.5566 5.5569 5.6956 5.6956 5.7632 5.7633 6.0422 6.0422 6.7768 6.7768 6.9428 6.9428 7.1271 7.1275 7.1478 7.1482 7.3198 7.3198 7.6330 7.6330 7.6996 7.6998 7.7348 7.7352 7.7682 7.7683 7.9278 7.9279 7.9579 7.9582 8.0101 8.0101 8.1337 8.1338 8.2089 8.2089 8.2186 8.2187 8.2295 8.2296 8.4001 8.4001 8.6505 8.6505 8.8778 8.8779 9.1092 9.1092 9.2874 9.2875 9.3177 9.3177 9.3379 9.3380 9.4417 9.4417 9.7929 9.7931 k =-0.4464 0.3284 0.5303 ( 14696 PWs) bands (ev): -1.5766 -1.5766 -1.4018 -1.4017 -1.3998 -1.3996 -1.1643 -1.1643 4.1079 4.1080 4.1288 4.1288 4.1848 4.1848 4.4871 4.4872 4.6622 4.6623 5.0019 5.0020 5.0480 5.0481 5.4115 5.4115 5.5727 5.5731 5.7019 5.7021 5.7784 5.7784 6.0522 6.0522 6.7565 6.7565 6.9339 6.9340 7.1396 7.1399 7.1598 7.1601 7.3087 7.3087 7.6387 7.6387 7.6922 7.6924 7.7290 7.7294 7.7575 7.7575 7.9175 7.9175 7.9482 7.9484 7.9985 7.9985 8.1386 8.1386 8.1938 8.1939 8.2036 8.2037 8.2364 8.2364 8.3903 8.3903 8.6685 8.6685 8.8751 8.8751 9.1158 9.1158 9.2837 9.2838 9.3070 9.3070 9.3344 9.3345 9.4245 9.4246 9.7894 9.7896 k =-0.4553 0.3031 0.5303 ( 14700 PWs) bands (ev): -1.5861 -1.5861 -1.4089 -1.4088 -1.4070 -1.4069 -1.1649 -1.1649 4.1177 4.1177 4.1354 4.1355 4.1891 4.1891 4.5148 4.5148 4.6584 4.6585 5.0128 5.0129 5.0702 5.0703 5.4063 5.4063 5.5832 5.5836 5.7041 5.7043 5.7994 5.7994 6.0607 6.0607 6.7308 6.7308 6.9313 6.9313 7.1519 7.1522 7.1713 7.1716 7.2994 7.2994 7.6432 7.6433 7.6858 7.6860 7.7236 7.7240 7.7462 7.7462 7.9077 7.9079 7.9387 7.9388 7.9882 7.9882 8.1428 8.1428 8.1807 8.1809 8.1905 8.1906 8.2464 8.2464 8.3789 8.3789 8.6876 8.6877 8.8714 8.8714 9.1205 9.1205 9.2802 9.2803 9.2964 9.2964 9.3320 9.3321 9.4098 9.4098 9.7865 9.7867 k =-0.4643 0.2778 0.5303 ( 14704 PWs) bands (ev): -1.5940 -1.5940 -1.4148 -1.4147 -1.4130 -1.4129 -1.1655 -1.1655 4.1209 4.1210 4.1449 4.1449 4.1921 4.1921 4.5386 4.5386 4.6561 4.6562 5.0228 5.0229 5.0908 5.0909 5.4008 5.4008 5.5891 5.5894 5.7034 5.7037 5.8235 5.8236 6.0673 6.0674 6.7038 6.7038 6.9323 6.9323 7.1634 7.1637 7.1819 7.1821 7.2920 7.2920 7.6458 7.6459 7.6811 7.6813 7.7188 7.7191 7.7353 7.7354 7.8991 7.8993 7.9297 7.9298 7.9796 7.9796 8.1460 8.1460 8.1703 8.1704 8.1796 8.1798 8.2579 8.2579 8.3666 8.3667 8.7066 8.7066 8.8669 8.8669 9.1235 9.1235 9.2770 9.2770 9.2871 9.2871 9.3302 9.3302 9.3975 9.3975 9.7842 9.7843 k =-0.4732 0.2525 0.5303 ( 14684 PWs) bands (ev): -1.6002 -1.6002 -1.4195 -1.4194 -1.4177 -1.4176 -1.1660 -1.1660 4.1218 4.1218 4.1535 4.1536 4.1941 4.1941 4.5580 4.5581 4.6549 4.6549 5.0314 5.0314 5.1084 5.1085 5.3958 5.3958 5.5916 5.5919 5.7014 5.7016 5.8472 5.8473 6.0720 6.0720 6.6789 6.6789 6.9347 6.9347 7.1735 7.1736 7.1908 7.1910 7.2863 7.2863 7.6460 7.6460 7.6787 7.6788 7.7146 7.7149 7.7259 7.7259 7.8920 7.8922 7.9221 7.9221 7.9729 7.9729 8.1481 8.1482 8.1626 8.1627 8.1711 8.1713 8.2700 8.2700 8.3541 8.3541 8.7241 8.7241 8.8615 8.8616 9.1253 9.1253 9.2737 9.2738 9.2799 9.2799 9.3287 9.3288 9.3879 9.3879 9.7825 9.7826 k =-0.4821 0.2272 0.5303 ( 14668 PWs) bands (ev): -1.6047 -1.6047 -1.4228 -1.4227 -1.4210 -1.4210 -1.1664 -1.1664 4.1219 4.1219 4.1599 4.1599 4.1952 4.1953 4.5724 4.5724 4.6544 4.6544 5.0380 5.0380 5.1219 5.1220 5.3918 5.3918 5.5923 5.5925 5.6993 5.6994 5.8673 5.8673 6.0747 6.0748 6.6590 6.6590 6.9372 6.9372 7.1814 7.1815 7.1977 7.1977 7.2824 7.2825 7.6445 7.6446 7.6781 7.6781 7.7114 7.7115 7.7187 7.7188 7.8867 7.8869 7.9162 7.9162 7.9680 7.9680 8.1490 8.1491 8.1578 8.1579 8.1650 8.1651 8.2821 8.2821 8.3417 8.3418 8.7388 8.7388 8.8561 8.8561 9.1261 9.1262 9.2702 9.2702 9.2757 9.2757 9.3277 9.3277 9.3811 9.3811 9.7812 9.7813 k =-0.4911 0.2019 0.5303 ( 14656 PWs) bands (ev): -1.6074 -1.6074 -1.4248 -1.4248 -1.4231 -1.4230 -1.1666 -1.1666 4.1219 4.1219 4.1638 4.1638 4.1959 4.1959 4.5813 4.5813 4.6542 4.6542 5.0422 5.0422 5.1305 5.1305 5.3893 5.3893 5.5922 5.5923 5.6977 5.6978 5.8807 5.8807 6.0760 6.0760 6.6461 6.6461 6.9390 6.9390 7.1864 7.1865 7.2019 7.2020 7.2802 7.2802 7.6429 7.6429 7.6782 7.6782 7.7091 7.7092 7.7144 7.7145 7.8835 7.8836 7.9125 7.9125 7.9651 7.9651 8.1487 8.1488 8.1559 8.1560 8.1612 8.1613 8.2930 8.2931 8.3307 8.3308 8.7490 8.7490 8.8517 8.8517 9.1265 9.1265 9.2672 9.2672 9.2739 9.2739 9.3270 9.3271 9.3770 9.3770 9.7805 9.7805 k =-0.5000 0.1766 0.5303 ( 14684 PWs) bands (ev): -1.6083 -1.6083 -1.4255 -1.4255 -1.4237 -1.4237 -1.1667 -1.1667 4.1218 4.1218 4.1651 4.1651 4.1960 4.1960 4.5842 4.5842 4.6541 4.6541 5.0436 5.0436 5.1334 5.1334 5.3884 5.3884 5.5922 5.5922 5.6972 5.6972 5.8855 5.8855 6.0763 6.0763 6.6416 6.6416 6.9397 6.9397 7.1882 7.1882 7.2034 7.2034 7.2794 7.2794 7.6423 7.6423 7.6783 7.6783 7.7083 7.7083 7.7130 7.7130 7.8824 7.8824 7.9113 7.9113 7.9642 7.9642 8.1484 8.1484 8.1556 8.1556 8.1599 8.1599 8.2986 8.2986 8.3252 8.3252 8.7527 8.7527 8.8500 8.8500 9.1266 9.1266 9.2662 9.2662 9.2733 9.2733 9.3268 9.3268 9.3756 9.3756 9.7802 9.7803 k = 0.0000 0.0000 0.5303 ( 14718 PWs) bands (ev): -1.8102 -1.8102 -1.5123 -1.5123 -1.1964 -1.1964 -1.0994 -1.0994 4.0655 4.0655 4.1234 4.1234 4.3495 4.3495 4.7535 4.7535 4.9377 4.9377 4.9816 4.9816 5.0372 5.0372 5.2579 5.2579 5.5501 5.5501 5.7425 5.7425 5.8003 5.8003 5.9387 5.9387 6.8822 6.8822 7.1714 7.1714 7.2047 7.2047 7.3483 7.3483 7.3915 7.3915 7.4379 7.4379 7.5227 7.5227 7.5731 7.5731 7.7013 7.7013 7.7334 7.7334 7.8489 7.8489 7.9476 7.9476 8.1062 8.1062 8.1233 8.1233 8.2080 8.2080 8.3583 8.3583 8.4589 8.4589 8.5263 8.5263 8.7482 8.7482 8.8860 8.8860 8.9924 8.9924 9.1838 9.1838 9.5633 9.5633 9.7914 9.7914 9.8016 9.8016 k = 0.0089 0.0253 0.5303 ( 14728 PWs) bands (ev): -1.8092 -1.8091 -1.5116 -1.5115 -1.1960 -1.1957 -1.0993 -1.0992 4.0644 4.0667 4.1229 4.1241 4.3431 4.3523 4.7488 4.7539 4.9282 4.9400 4.9782 4.9839 5.0290 5.0421 5.2558 5.2564 5.5479 5.5575 5.7382 5.7451 5.8001 5.8016 5.9344 5.9403 6.8825 6.8831 7.1690 7.1720 7.2056 7.2057 7.3484 7.3492 7.3926 7.3939 7.4383 7.4383 7.5235 7.5248 7.5710 7.5749 7.7004 7.7027 7.7336 7.7345 7.8465 7.8469 7.9448 7.9450 8.1080 8.1100 8.1236 8.1238 8.2112 8.2120 8.3592 8.3593 8.4591 8.4604 8.5257 8.5257 8.7469 8.7481 8.8834 8.8855 8.9912 8.9936 9.1863 9.1867 9.5638 9.5641 9.7902 9.7926 9.8018 9.8019 k = 0.0179 0.0506 0.5303 ( 14730 PWs) bands (ev): -1.8062 -1.8061 -1.5095 -1.5094 -1.1945 -1.1940 -1.0992 -1.0989 4.0633 4.0677 4.1226 4.1248 4.3334 4.3516 4.7398 4.7496 4.9131 4.9335 4.9742 4.9835 5.0189 5.0434 5.2503 5.2518 5.5512 5.5691 5.7326 5.7461 5.8012 5.8036 5.9275 5.9390 6.8840 6.8852 7.1650 7.1708 7.2084 7.2087 7.3496 7.3508 7.3977 7.3998 7.4392 7.4394 7.5274 7.5297 7.5691 7.5767 7.6998 7.7045 7.7349 7.7367 7.8397 7.8405 7.9378 7.9382 8.1141 8.1183 8.1249 8.1253 8.2213 8.2228 8.3622 8.3622 8.4608 8.4635 8.5240 8.5241 8.7446 8.7471 8.8781 8.8819 8.9902 8.9946 9.1938 9.1948 9.5655 9.5661 9.7889 9.7936 9.8024 9.8027 k = 0.0268 0.0758 0.5303 ( 14726 PWs) bands (ev): -1.8012 -1.8011 -1.5060 -1.5058 -1.1921 -1.1913 -1.0988 -1.0985 4.0620 4.0687 4.1217 4.1250 4.3215 4.3480 4.7270 4.7408 4.8941 4.9194 4.9664 4.9789 5.0100 5.0418 5.2419 5.2445 5.5590 5.5833 5.7259 5.7453 5.8036 5.8062 5.9187 5.9351 6.8868 6.8885 7.1593 7.1677 7.2129 7.2131 7.3516 7.3529 7.4074 7.4094 7.4398 7.4407 7.5340 7.5369 7.5677 7.5786 7.6995 7.7064 7.7373 7.7400 7.8289 7.8299 7.9292 7.9299 8.1210 8.1256 8.1285 8.1308 8.2374 8.2392 8.3675 8.3677 8.4639 8.4678 8.5215 8.5216 8.7421 8.7460 8.8703 8.8753 8.9892 8.9952 9.2056 9.2073 9.5684 9.5693 9.7873 9.7942 9.8035 9.8038 k = 0.0357 0.1011 0.5303 ( 14718 PWs) bands (ev): -1.7943 -1.7941 -1.5012 -1.5009 -1.1886 -1.1876 -1.0984 -1.0979 4.0604 4.0693 4.1193 4.1232 4.3088 4.3425 4.7105 4.7277 4.8719 4.8996 4.9515 4.9690 5.0048 5.0384 5.2315 5.2355 5.5698 5.5979 5.7181 5.7427 5.8075 5.8089 5.9087 5.9289 6.8909 6.8931 7.1520 7.1627 7.2186 7.2186 7.3544 7.3556 7.4221 7.4233 7.4396 7.4416 7.5431 7.5459 7.5674 7.5810 7.6990 7.7080 7.7409 7.7446 7.8149 7.8162 7.9210 7.9222 8.1250 8.1286 8.1360 8.1411 8.2576 8.2592 8.3759 8.3767 8.4682 8.4732 8.5185 8.5185 8.7406 8.7460 8.8602 8.8659 8.9883 8.9952 9.2206 9.2233 9.5721 9.5734 9.7850 9.7941 9.8048 9.8050 k = 0.0446 0.1264 0.5303 ( 14718 PWs) bands (ev): -1.7854 -1.7852 -1.4950 -1.4947 -1.1842 -1.1830 -1.0979 -1.0973 4.0581 4.0693 4.1139 4.1178 4.2977 4.3369 4.6906 4.7108 4.8476 4.8749 4.9306 4.9533 5.0022 5.0344 5.2200 5.2255 5.5821 5.6110 5.7094 5.7383 5.8118 5.8126 5.8990 5.9211 6.8964 6.8990 7.1432 7.1559 7.2243 7.2248 7.3583 7.3592 7.4373 7.4397 7.4415 7.4432 7.5543 7.5559 7.5684 7.5844 7.6978 7.7082 7.7458 7.7505 7.7996 7.8013 7.9143 7.9162 8.1278 8.1317 8.1444 8.1508 8.2795 8.2800 8.3890 8.3909 8.4731 8.4787 8.5155 8.5158 8.7412 8.7482 8.8481 8.8540 8.9874 8.9947 9.2378 9.2417 9.5763 9.5781 9.7812 9.7928 9.8052 9.8071 k = 0.0536 0.1517 0.5303 ( 14716 PWs) bands (ev): -1.7747 -1.7744 -1.4876 -1.4872 -1.1789 -1.1774 -1.0974 -1.0966 4.0548 4.0682 4.1042 4.1067 4.2906 4.3333 4.6676 4.6910 4.8219 4.8458 4.9058 4.9316 5.0005 5.0306 5.2081 5.2154 5.5940 5.6208 5.6999 5.7318 5.8144 5.8183 5.8910 5.9123 6.9033 6.9062 7.1330 7.1474 7.2298 7.2308 7.3636 7.3643 7.4336 7.4388 7.4630 7.4658 7.5658 7.5670 7.5708 7.5892 7.6949 7.7056 7.7518 7.7578 7.7853 7.7881 7.9095 7.9122 8.1305 8.1351 8.1514 8.1586 8.2988 8.2999 8.4085 8.4120 8.4772 8.4827 8.5138 8.5151 8.7450 8.7536 8.8341 8.8398 8.9864 8.9935 9.2561 9.2616 9.5803 9.5826 9.7753 9.7898 9.8048 9.8099 k = 0.0625 0.1769 0.5303 ( 14720 PWs) bands (ev): -1.7622 -1.7618 -1.4789 -1.4785 -1.1728 -1.1710 -1.0969 -1.0960 4.0492 4.0644 4.0894 4.0897 4.2892 4.3332 4.6419 4.6692 4.7955 4.8125 4.8787 4.9050 4.9990 5.0272 5.1965 5.2056 5.6041 5.6263 5.6899 5.7225 5.8164 5.8234 5.8871 5.9036 6.9115 6.9147 7.1213 7.1372 7.2347 7.2361 7.3708 7.3714 7.4279 7.4349 7.4875 7.4931 7.5721 7.5733 7.5827 7.5966 7.6892 7.6989 7.7591 7.7662 7.7753 7.7795 7.9065 7.9101 8.1335 8.1388 8.1566 8.1640 8.3142 8.3171 8.4354 8.4405 8.4793 8.4835 8.5155 8.5184 8.7526 8.7628 8.8185 8.8236 8.9852 8.9919 9.2747 9.2818 9.5832 9.5860 9.7663 9.7840 9.8037 9.8138 k = 0.0714 0.2022 0.5303 ( 14712 PWs) bands (ev): -1.7479 -1.7475 -1.4692 -1.4687 -1.1659 -1.1639 -1.0965 -1.0955 4.0380 4.0524 4.0688 4.0754 4.2934 4.3377 4.6139 4.6466 4.7685 4.7753 4.8504 4.8746 4.9975 5.0244 5.1855 5.1966 5.6111 5.6274 5.6796 5.7103 5.8169 5.8262 5.8891 5.8962 6.9207 6.9243 7.1080 7.1253 7.2389 7.2407 7.3799 7.3805 7.4208 7.4290 7.5132 7.5224 7.5729 7.5763 7.5995 7.6076 7.6810 7.6884 7.7666 7.7688 7.7779 7.7781 7.9055 7.9100 8.1365 8.1426 8.1594 8.1667 8.3268 8.3310 8.4654 8.4728 8.4821 8.4838 8.5214 8.5259 8.7640 8.7756 8.8017 8.8059 8.9839 8.9899 9.2925 9.3015 9.5841 9.5871 9.7535 9.7740 9.8024 9.8188 k = 0.0804 0.2275 0.5303 ( 14714 PWs) bands (ev): -1.7320 -1.7315 -1.4585 -1.4579 -1.1583 -1.1560 -1.0963 -1.0951 4.0147 4.0268 4.0526 4.0666 4.3024 4.3465 4.5842 4.6237 4.7349 4.7415 4.8218 4.8422 4.9959 5.0222 5.1753 5.1888 5.6141 5.6243 5.6695 5.6951 5.8152 5.8263 5.8911 5.8968 6.9308 6.9346 7.0930 7.1114 7.2426 7.2445 7.3906 7.3915 7.4128 7.4212 7.5380 7.5513 7.5710 7.5746 7.6189 7.6221 7.6722 7.6767 7.7694 7.7717 7.7853 7.7902 7.9064 7.9118 8.1394 8.1463 8.1601 8.1670 8.3377 8.3429 8.4707 8.4753 8.5125 8.5175 8.5312 8.5362 8.7760 8.7803 8.7901 8.7953 8.9825 8.9877 9.3087 9.3196 9.5820 9.5847 9.7363 9.7590 9.8014 9.8242 k = 0.0893 0.2528 0.5303 ( 14728 PWs) bands (ev): -1.7145 -1.7140 -1.4469 -1.4462 -1.1501 -1.1476 -1.0963 -1.0950 3.9804 3.9929 4.0407 4.0587 4.3143 4.3587 4.5530 4.6009 4.6926 4.7146 4.7939 4.8096 4.9941 5.0205 5.1657 5.1821 5.6125 5.6175 5.6600 5.6778 5.8105 5.8245 5.8891 5.9081 6.9414 6.9454 7.0762 7.0955 7.2463 7.2481 7.3962 7.4015 7.4101 7.4138 7.5566 7.5636 7.5683 7.5820 7.6401 7.6413 7.6654 7.6668 7.7736 7.7764 7.7987 7.8049 7.9093 7.9152 8.1420 8.1494 8.1589 8.1653 8.3481 8.3540 8.4674 8.4715 8.5396 8.5470 8.5586 8.5621 8.7616 8.7629 8.8017 8.8143 8.9811 8.9854 9.3220 9.3348 9.5769 9.5785 9.7146 9.7387 9.8009 9.8234 k = 0.0982 0.2780 0.5303 ( 14708 PWs) bands (ev): -1.6957 -1.6951 -1.4345 -1.4338 -1.1415 -1.1387 -1.0966 -1.0953 3.9407 3.9542 4.0288 4.0491 4.3276 4.3727 4.5201 4.5763 4.6518 4.6886 4.7673 4.7789 4.9923 5.0195 5.1569 5.1768 5.6065 5.6073 5.6514 5.6595 5.8031 5.8219 5.8898 5.9208 6.9519 6.9563 7.0578 7.0776 7.2502 7.2518 7.3859 7.3936 7.4227 7.4228 7.5519 7.5541 7.5814 7.6029 7.6563 7.6593 7.6670 7.6677 7.7806 7.7824 7.8160 7.8222 7.9139 7.9200 8.1439 8.1513 8.1563 8.1626 8.3588 8.3652 8.4643 8.4685 8.5528 8.5599 8.6044 8.6080 8.7412 8.7418 8.8233 8.8370 8.9797 8.9832 9.3310 9.3453 9.5697 9.5697 9.6888 9.7133 9.8005 9.8111 k = 0.1071 0.3033 0.5303 ( 14704 PWs) bands (ev): -1.6755 -1.6748 -1.4214 -1.4207 -1.1324 -1.1294 -1.0974 -1.0960 3.8981 3.9124 4.0154 4.0372 4.3404 4.3867 4.4855 4.5458 4.6188 4.6651 4.7431 4.7519 4.9906 5.0192 5.1486 5.1726 5.5938 5.5969 5.6414 5.6434 5.7937 5.8188 5.8920 5.9333 6.9618 6.9668 7.0380 7.0578 7.2549 7.2561 7.3698 7.3758 7.4386 7.4390 7.5404 7.5428 7.5958 7.6193 7.6557 7.6567 7.6915 7.6925 7.7895 7.7897 7.8369 7.8427 7.9201 7.9261 8.1445 8.1505 8.1530 8.1605 8.3702 8.3771 8.4625 8.4671 8.5660 8.5729 8.6523 8.6548 8.7206 8.7214 8.8476 8.8618 8.9784 8.9812 9.3338 9.3490 9.5614 9.5627 9.6596 9.6838 9.7981 9.7996 k = 0.1161 0.3286 0.5303 ( 14716 PWs) bands (ev): -1.6541 -1.6534 -1.4078 -1.4070 -1.1231 -1.1199 -1.0987 -1.0972 3.8539 3.8688 4.0003 4.0231 4.3502 4.3965 4.4504 4.5066 4.5982 4.6458 4.7224 4.7302 4.9888 5.0195 5.1407 5.1695 5.5774 5.5851 5.6244 5.6356 5.7830 5.8154 5.8947 5.9447 6.9699 6.9767 7.0181 7.0362 7.2607 7.2612 7.3488 7.3525 7.4559 7.4568 7.5293 7.5326 7.6076 7.6319 7.6538 7.6568 7.7175 7.7179 7.7982 7.7998 7.8611 7.8662 7.9274 7.9331 8.1429 8.1464 8.1505 8.1599 8.3828 8.3902 8.4625 8.4676 8.5789 8.5853 8.6899 8.6947 8.7069 8.7149 8.8734 8.8878 8.9771 8.9793 9.3293 9.3442 9.5568 9.5582 9.6281 9.6513 9.7880 9.7980 k = 0.1250 0.3539 0.5303 ( 14668 PWs) bands (ev): -1.6318 -1.6310 -1.3939 -1.3931 -1.1136 -1.1102 -1.1006 -1.0989 3.8091 3.8242 3.9836 4.0068 4.3532 4.3873 4.4273 4.4640 4.5879 4.6325 4.7064 4.7150 4.9872 5.0203 5.1329 5.1674 5.5587 5.5721 5.6089 5.6276 5.7715 5.8118 5.8969 5.9543 6.9719 6.9856 7.0022 7.0134 7.2670 7.2676 7.3227 7.3240 7.4737 7.4753 7.5203 7.5248 7.6174 7.6420 7.6536 7.6584 7.7403 7.7428 7.8076 7.8111 7.8877 7.8923 7.9357 7.9409 8.1387 8.1405 8.1492 8.1594 8.3968 8.4047 8.4642 8.4702 8.5894 8.5948 8.6827 8.6842 8.7497 8.7540 8.9002 8.9147 8.9759 8.9775 9.3176 9.3309 9.5559 9.5570 9.5972 9.6176 9.7809 9.7964 k = 0.1339 0.3791 0.5303 ( 14720 PWs) bands (ev): -1.6085 -1.6078 -1.3799 -1.3789 -1.1045 -1.1029 -1.1022 -1.0997 3.7645 3.7796 3.9657 3.9889 4.3421 4.3503 4.4233 4.4280 4.5843 4.6264 4.6968 4.7075 4.9855 5.0217 5.1251 5.1659 5.5388 5.5587 5.5947 5.6196 5.7597 5.8081 5.8981 5.9620 6.9590 6.9874 6.9955 6.9995 7.2712 7.2741 7.2924 7.2943 7.4915 7.4939 7.5143 7.5197 7.6257 7.6502 7.6548 7.6617 7.7609 7.7653 7.8176 7.8228 7.9149 7.9195 7.9448 7.9493 8.1332 8.1340 8.1486 8.1587 8.4126 8.4208 8.4669 8.4739 8.5940 8.5974 8.6791 8.6792 8.7936 8.7962 8.9278 8.9421 8.9749 8.9760 9.3010 9.3120 9.5435 9.5557 9.5796 9.5893 9.7766 9.7952 k = 0.1429 0.4044 0.5303 ( 14724 PWs) bands (ev): -1.5846 -1.5838 -1.3658 -1.3648 -1.1068 -1.1050 -1.0946 -1.0906 3.7206 3.7356 3.9471 3.9700 4.3053 4.3110 4.4057 4.4184 4.5850 4.6269 4.6947 4.7083 4.9840 5.0235 5.1172 5.1650 5.5189 5.5455 5.5815 5.6119 5.7478 5.8043 5.8978 5.9676 6.9378 6.9643 7.0010 7.0037 7.2502 7.2513 7.2877 7.2878 7.5070 7.5073 7.5158 7.5182 7.6332 7.6571 7.6574 7.6669 7.7795 7.7855 7.8279 7.8347 7.9401 7.9456 7.9550 7.9586 8.1270 8.1271 8.1490 8.1582 8.4301 8.4384 8.4692 8.4773 8.5913 8.5923 8.6872 8.6883 8.8313 8.8326 8.9557 8.9699 8.9750 8.9752 9.2832 9.2914 9.5125 9.5320 9.5833 9.5866 9.7749 9.7940 k = 0.1518 0.4297 0.5303 ( 14728 PWs) bands (ev): -1.5603 -1.5594 -1.3519 -1.3508 -1.1111 -1.1092 -1.0854 -1.0813 3.6781 3.6929 3.9286 3.9508 4.2584 4.2670 4.3913 4.4085 4.5884 4.6322 4.7004 4.7174 4.9824 5.0255 5.1089 5.1643 5.4998 5.5328 5.5691 5.6048 5.7359 5.8005 5.8959 5.9710 6.9151 6.9399 7.0066 7.0087 7.2120 7.2121 7.2959 7.2977 7.5062 7.5115 7.5290 7.5324 7.6406 7.6614 7.6633 7.6736 7.7963 7.8036 7.8379 7.8462 7.9604 7.9668 7.9670 7.9703 8.1200 8.1207 8.1512 8.1590 8.4491 8.4560 8.4701 8.4781 8.5859 8.5869 8.7057 8.7070 8.8595 8.8598 8.9707 8.9735 8.9896 8.9995 9.2679 9.2732 9.4770 9.4969 9.5935 9.5976 9.7742 9.7870 k = 0.1607 0.4550 0.5303 ( 14724 PWs) bands (ev): -1.5356 -1.5347 -1.3383 -1.3372 -1.1163 -1.1143 -1.0766 -1.0722 3.6375 3.6520 3.9107 3.9320 4.2112 4.2191 4.3777 4.3946 4.5936 4.6404 4.7130 4.7338 4.9806 5.0276 5.1003 5.1635 5.4822 5.5208 5.5576 5.5986 5.7242 5.7970 5.8925 5.9724 6.8926 6.9160 7.0112 7.0133 7.1706 7.1708 7.3053 7.3086 7.5048 7.5109 7.5443 7.5494 7.6483 7.6669 7.6695 7.6818 7.8117 7.8200 7.8472 7.8568 7.9751 7.9794 7.9800 7.9862 8.1130 8.1144 8.1559 8.1621 8.4598 8.4683 8.4751 8.4817 8.5840 8.5862 8.7306 8.7313 8.8761 8.8761 8.9720 8.9732 9.0182 9.0274 9.2590 9.2616 9.4412 9.4607 9.6062 9.6119 9.7614 9.7647 k = 0.1696 0.4802 0.5303 ( 14712 PWs) bands (ev): -1.5109 -1.5100 -1.3253 -1.3241 -1.1224 -1.1204 -1.0681 -1.0636 3.5993 3.6134 3.8940 3.9143 4.1650 4.1711 4.3631 4.3784 4.6000 4.6506 4.7309 4.7555 4.9787 5.0295 5.0913 5.1625 5.4665 5.5095 5.5469 5.5937 5.7128 5.7936 5.8875 5.9719 6.8712 6.8930 7.0149 7.0173 7.1282 7.1287 7.3150 7.3196 7.5038 7.5102 7.5590 7.5649 7.6567 7.6742 7.6759 7.6915 7.8256 7.8348 7.8555 7.8660 7.9847 7.9912 7.9918 7.9976 8.1067 8.1085 8.1628 8.1677 8.4519 8.4655 8.4904 8.5021 8.5882 8.5906 8.7586 8.7590 8.8816 8.8818 8.9739 8.9744 9.0439 9.0517 9.2588 9.2596 9.4063 9.4254 9.6202 9.6277 9.7341 9.7363 k = 0.1786 0.5055 0.5303 ( 14736 PWs) bands (ev): -1.4864 -1.4854 -1.3130 -1.3118 -1.1295 -1.1274 -1.0603 -1.0556 3.5639 3.5777 3.8791 3.8983 4.1205 4.1247 4.3477 4.3613 4.6073 4.6621 4.7522 4.7804 4.9763 5.0309 5.0823 5.1609 5.4531 5.4991 5.5374 5.5904 5.7018 5.7905 5.8812 5.9698 6.8515 6.8715 7.0173 7.0206 7.0855 7.0876 7.3241 7.3301 7.5030 7.5097 7.5724 7.5787 7.6651 7.6823 7.6840 7.7027 7.8379 7.8478 7.8625 7.8737 7.9864 7.9971 8.0052 8.0095 8.1018 8.1038 8.1704 8.1746 8.4425 8.4564 8.5101 8.5229 8.5970 8.5988 8.7861 8.7884 8.8780 8.8792 8.9785 8.9787 9.0628 9.0698 9.2675 9.2682 9.3734 9.3921 9.6345 9.6440 9.7050 9.7066 k = 0.1875 0.5308 0.5303 ( 14720 PWs) bands (ev): -1.4624 -1.4614 -1.3017 -1.3004 -1.1376 -1.1353 -1.0531 -1.0483 3.5317 3.5452 3.8665 3.8845 4.0783 4.0807 4.3323 4.3444 4.6153 4.6745 4.7753 4.8067 4.9733 5.0312 5.0736 5.1587 5.4422 5.4895 5.5289 5.5889 5.6914 5.7879 5.8740 5.9665 6.8339 6.8520 7.0168 7.0228 7.0444 7.0503 7.3322 7.3396 7.5023 7.5092 7.5846 7.5907 7.6728 7.6888 7.6969 7.7155 7.8483 7.8588 7.8683 7.8799 7.9830 7.9951 8.0187 8.0223 8.1001 8.1020 8.1767 8.1810 8.4347 8.4488 8.5279 8.5422 8.6081 8.6088 8.8102 8.8156 8.8687 8.8721 8.9881 8.9889 9.0740 9.0809 9.2816 9.2846 9.3444 9.3622 9.6422 9.6523 9.6832 9.6852 k = 0.1964 0.5561 0.5303 ( 14746 PWs) bands (ev): -1.4392 -1.4383 -1.2914 -1.2900 -1.1463 -1.1440 -1.0467 -1.0417 3.5030 3.5163 3.8566 3.8734 4.0391 4.0398 4.3176 4.3285 4.6235 4.6873 4.7990 4.8328 4.9695 5.0299 5.0661 5.1559 5.4338 5.4807 5.5217 5.5893 5.6815 5.7856 5.8662 5.9624 6.8190 6.8347 6.9996 7.0022 7.0276 7.0316 7.3391 7.3478 7.5016 7.5087 7.5956 7.6012 7.6797 7.6950 7.7125 7.7298 7.8564 7.8673 7.8730 7.8848 7.9761 7.9891 8.0291 8.0318 8.1038 8.1048 8.1804 8.1853 8.4303 8.4444 8.5422 8.5586 8.6192 8.6202 8.8261 8.8353 8.8588 8.8650 9.0053 9.0075 9.0787 9.0858 9.2903 9.3018 9.3268 9.3395 9.6236 9.6290 9.6883 9.6959 k = 0.2054 0.5813 0.5303 ( 14742 PWs) bands (ev): -1.4173 -1.4164 -1.2824 -1.2810 -1.1557 -1.1532 -1.0411 -1.0360 3.4782 3.4913 3.8497 3.8655 4.0024 4.0032 4.3043 4.3143 4.6315 4.7001 4.8222 4.8574 4.9648 5.0269 5.0601 5.1527 5.4277 5.4729 5.5157 5.5914 5.6723 5.7838 5.8582 5.9578 6.8072 6.8200 6.9657 6.9680 7.0293 7.0301 7.3446 7.3545 7.5010 7.5082 7.6055 7.6102 7.6857 7.7008 7.7303 7.7455 7.8618 7.8726 7.8767 7.8886 7.9673 7.9809 8.0345 8.0358 8.1138 8.1141 8.1812 8.1870 8.4296 8.4436 8.5516 8.5705 8.6291 8.6324 8.8315 8.8389 8.8586 8.8620 9.0307 9.0352 9.0788 9.0861 9.2783 9.3005 9.3334 9.3402 9.5919 9.5947 9.7064 9.7177 k = 0.2143 0.6066 0.5303 ( 14736 PWs) bands (ev): -1.3973 -1.3964 -1.2748 -1.2734 -1.1652 -1.1627 -1.0365 -1.0313 3.4576 3.4704 3.8463 3.8609 3.9689 3.9710 4.2928 4.3021 4.6388 4.7121 4.8444 4.8792 4.9588 5.0226 5.0556 5.1492 5.4236 5.4662 5.5110 5.5950 5.6636 5.7824 5.8506 5.9531 6.7985 6.8083 6.9324 6.9381 7.0309 7.0310 7.3487 7.3596 7.5004 7.5078 7.6142 7.6180 7.6908 7.7059 7.7493 7.7623 7.8641 7.8742 7.8795 7.8916 7.9575 7.9723 8.0355 8.0356 8.1273 8.1287 8.1798 8.1866 8.4318 8.4453 8.5555 8.5768 8.6380 8.6439 8.8315 8.8341 8.8611 8.8632 9.0598 9.0684 9.0782 9.0837 9.2612 9.2866 9.3475 9.3568 9.5576 9.5582 9.7253 9.7405 k = 0.2232 0.6319 0.5303 ( 14732 PWs) bands (ev): -1.3798 -1.3790 -1.2688 -1.2673 -1.1743 -1.1717 -1.0328 -1.0275 3.4413 3.4540 3.8464 3.8601 3.9395 3.9427 4.2835 4.2923 4.6450 4.7227 4.8648 4.8971 4.9517 5.0186 5.0520 5.1460 5.4212 5.4608 5.5074 5.5996 5.6557 5.7815 5.8439 5.9490 6.7932 6.7995 6.9039 6.9128 7.0320 7.0325 7.3516 7.3633 7.4999 7.5075 7.6215 7.6244 7.6949 7.7101 7.7687 7.7798 7.8629 7.8714 7.8816 7.8937 7.9480 7.9644 8.0336 8.0343 8.1422 8.1440 8.1774 8.1854 8.4354 8.4484 8.5545 8.5780 8.6455 8.6541 8.8320 8.8320 8.8595 8.8648 9.0666 9.0772 9.0992 9.1050 9.2484 9.2767 9.3596 9.3726 9.5217 9.5236 9.7410 9.7609 k = 0.2321 0.6572 0.5303 ( 14718 PWs) bands (ev): -1.3659 -1.3651 -1.2644 -1.2629 -1.1822 -1.1794 -1.0301 -1.0248 3.4295 3.4421 3.8501 3.8631 3.9146 3.9186 4.2766 4.2851 4.6498 4.7310 4.8831 4.9100 4.9432 5.0161 5.0488 5.1434 5.4198 5.4567 5.5049 5.6046 5.6487 5.7808 5.8386 5.9456 6.7910 6.7937 6.8813 6.8935 7.0328 7.0336 7.3535 7.3658 7.4995 7.5072 7.6271 7.6293 7.6980 7.7132 7.7874 7.7974 7.8582 7.8643 7.8830 7.8952 7.9400 7.9584 8.0313 8.0325 8.1553 8.1567 8.1751 8.1845 8.4391 8.4516 8.5508 8.5757 8.6512 8.6622 8.8329 8.8340 8.8574 8.8643 9.0620 9.0722 9.1264 9.1344 9.2432 9.2741 9.3674 9.3848 9.4877 9.4931 9.7519 9.7759 k = 0.2411 0.6825 0.5303 ( 14694 PWs) bands (ev): -1.3567 -1.3561 -1.2617 -1.2602 -1.1876 -1.1848 -1.0285 -1.0231 3.4224 3.4349 3.8567 3.8699 3.8951 3.8990 4.2725 4.2807 4.6528 4.7364 4.8982 4.9176 4.9341 5.0153 5.0462 5.1416 5.4192 5.4542 5.5035 5.6089 5.6433 5.7805 5.8353 5.9435 6.7905 6.7908 6.8662 6.8813 7.0334 7.0343 7.3546 7.3672 7.4993 7.5070 7.6306 7.6323 7.6998 7.7152 7.8033 7.8137 7.8511 7.8540 7.8838 7.8960 7.9347 7.9547 8.0296 8.0311 8.1643 8.1645 8.1735 8.1847 8.4418 8.4540 8.5471 8.5728 8.6549 8.6675 8.8349 8.8360 8.8557 8.8633 9.0581 9.0683 9.1442 9.1525 9.2456 9.2778 9.3706 9.3924 9.4611 9.4709 9.7580 9.7844 k = 0.2500 0.7077 0.5303 ( 14708 PWs) bands (ev): -1.3535 -1.3529 -1.2608 -1.2593 -1.1896 -1.1868 -1.0280 -1.0226 3.4200 3.4325 3.8617 3.8771 3.8858 3.8875 4.2711 4.2792 4.6538 4.7382 4.9058 4.9201 4.9286 5.0153 5.0452 5.1410 5.4191 5.4534 5.5030 5.6107 5.6412 5.7803 5.8341 5.9428 6.7895 6.7912 6.8607 6.8771 7.0336 7.0345 7.3549 7.3677 7.4992 7.5070 7.6318 7.6333 7.7005 7.7158 7.8106 7.8227 7.8467 7.8470 7.8840 7.8963 7.9328 7.9535 8.0290 8.0306 8.1669 8.1675 8.1730 8.1851 8.4428 8.4549 8.5456 8.5715 8.6561 8.6693 8.8359 8.8369 8.8551 8.8629 9.0566 9.0669 9.1500 9.1580 9.2487 9.2810 9.3709 9.3951 9.4504 9.4625 9.7599 9.7871 Writing output data file Zr3Sb.save init_run : 1.23s CPU 0.89s WALL ( 1 calls) electrons : 1439.91s CPU 1148.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.27s WALL ( 1 calls) Called by electrons: c_bands : 1439.90s CPU 1148.08s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.30s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.43s CPU 0.46s WALL ( 212 calls) cegterg : 1254.72s CPU 1027.05s WALL ( 781 calls) Called by sum_band: Called by *egterg: h_psi : 1002.52s CPU 709.12s WALL ( 14524 calls) s_psi : 31.30s CPU 31.87s WALL ( 14524 calls) g_psi : 1.01s CPU 1.07s WALL ( 13531 calls) cdiaghg : 274.91s CPU 274.97s WALL ( 13743 calls) cegterg:over : 42.68s CPU 42.25s WALL ( 13531 calls) cegterg:upda : 32.69s CPU 33.66s WALL ( 13531 calls) cegterg:last : 20.29s CPU 20.31s WALL ( 2035 calls) cdiaghg:chol : 11.97s CPU 12.18s WALL ( 13743 calls) cdiaghg:inve : 8.36s CPU 8.41s WALL ( 13743 calls) cdiaghg:para : 16.38s CPU 16.72s WALL ( 27486 calls) Called by h_psi: h_psi:vloc : 915.76s CPU 622.25s WALL ( 14524 calls) h_psi:vnl : 85.44s CPU 85.69s WALL ( 14524 calls) add_vuspsi : 42.96s CPU 42.96s WALL ( 14524 calls) General routines calbec : 42.36s CPU 42.67s WALL ( 14524 calls) fft : 0.10s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 880.55s CPU 589.94s WALL ( 1981084 calls) interpolate : 0.04s CPU 0.03s WALL ( 4 calls) davcio : 0.43s CPU 1.96s WALL ( 424 calls) Parallel routines fft_scatter : 295.88s CPU 275.56s WALL ( 1981107 calls) PWSCF : 24m50.02s CPU 21m39.90s WALL This run was terminated on: 17:20: 3 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=