Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:16:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 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: ./MgSiP2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 124 75 21 3964 1885 280 Max 125 76 22 3967 1906 282 Sum 4481 2735 763 142751 68259 10101 bravais-lattice index = 14 lattice parameter (alat) = 12.2238 a.u. unit-cell volume = 1114.8508 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.223793 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.608889 celldm(5)= -0.608889 celldm(6)= 0.217779 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.217779 0.975998 0.000000 ) a(3) = ( -0.608889 -0.487999 0.625388 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.223134 0.799503 ) b(2) = ( 0.000000 1.024592 0.799503 ) b(3) = ( 0.000000 0.000000 1.599006 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 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 Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.1088894 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4879991 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3126942 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0000000 0.0205001), wk = 0.0035842 k( 3) = ( 0.0000000 0.0000000 0.0410002), wk = 0.0035842 k( 4) = ( 0.0000000 0.0000000 0.0615002), wk = 0.0035842 k( 5) = ( 0.0000000 0.0000000 0.0820003), wk = 0.0035842 k( 6) = ( 0.0000000 0.0000000 0.1025004), wk = 0.0035842 k( 7) = ( 0.0000000 0.0000000 0.1230005), wk = 0.0035842 k( 8) = ( 0.0000000 0.0000000 0.1435006), wk = 0.0035842 k( 9) = ( 0.0000000 0.0000000 0.1640006), wk = 0.0035842 k( 10) = ( 0.0000000 0.0000000 0.1845007), wk = 0.0035842 k( 11) = ( 0.0000000 0.0000000 0.2050008), wk = 0.0035842 k( 12) = ( 0.0000000 0.0000000 0.2255009), wk = 0.0035842 k( 13) = ( 0.0000000 0.0000000 0.2460010), wk = 0.0035842 k( 14) = ( 0.0000000 0.0000000 0.2665011), wk = 0.0035842 k( 15) = ( 0.0000000 0.0000000 0.2870011), wk = 0.0035842 k( 16) = ( 0.0000000 0.0000000 0.3075012), wk = 0.0035842 k( 17) = ( 0.0000000 0.0000000 0.3280013), wk = 0.0035842 k( 18) = ( 0.0000000 0.0000000 0.3485014), wk = 0.0035842 k( 19) = ( 0.0000000 0.0000000 0.3690015), wk = 0.0035842 k( 20) = ( 0.0000000 0.0000000 0.3895015), wk = 0.0035842 k( 21) = ( 0.0000000 0.0000000 0.4100016), wk = 0.0035842 k( 22) = ( 0.0000000 0.0000000 0.4305017), wk = 0.0035842 k( 23) = ( 0.0000000 0.0000000 0.4510018), wk = 0.0035842 k( 24) = ( 0.0000000 0.0000000 0.4715019), wk = 0.0035842 k( 25) = ( 0.0000000 0.0000000 0.4920020), wk = 0.0035842 k( 26) = ( 0.0000000 0.0000000 0.5125020), wk = 0.0035842 k( 27) = ( 0.0000000 0.0000000 0.5330021), wk = 0.0035842 k( 28) = ( 0.0000000 0.0000000 0.5535022), wk = 0.0035842 k( 29) = ( 0.0000000 0.0000000 0.5740023), wk = 0.0035842 k( 30) = ( 0.0000000 0.0000000 0.5945024), wk = 0.0035842 k( 31) = ( 0.0000000 0.0000000 0.6150024), wk = 0.0035842 k( 32) = ( 0.0000000 0.0000000 0.6355025), wk = 0.0035842 k( 33) = ( 0.0000000 0.0000000 0.6560026), wk = 0.0035842 k( 34) = ( 0.0000000 0.0000000 0.6765027), wk = 0.0035842 k( 35) = ( 0.0000000 0.0000000 0.6970028), wk = 0.0035842 k( 36) = ( 0.0000000 0.0000000 0.7175028), wk = 0.0035842 k( 37) = ( 0.0000000 0.0000000 0.7380029), wk = 0.0035842 k( 38) = ( 0.0000000 0.0000000 0.7585030), wk = 0.0035842 k( 39) = ( 0.0000000 0.0000000 0.7790031), wk = 0.0035842 k( 40) = ( 0.0000000 0.0000000 0.7995032), wk = 0.0035842 k( 41) = ( 0.0000000 0.0000000 0.7995032), wk = 0.0035842 k( 42) = ( -0.0123526 0.0154127 0.7995032), wk = 0.0035842 k( 43) = ( -0.0247052 0.0308253 0.7995032), wk = 0.0035842 k( 44) = ( -0.0370578 0.0462379 0.7995032), wk = 0.0035842 k( 45) = ( -0.0494103 0.0616506 0.7995032), wk = 0.0035842 k( 46) = ( -0.0617629 0.0770632 0.7995032), wk = 0.0035842 k( 47) = ( -0.0741155 0.0924759 0.7995032), wk = 0.0035842 k( 48) = ( -0.0864681 0.1078885 0.7995032), wk = 0.0035842 k( 49) = ( -0.0988207 0.1233012 0.7995032), wk = 0.0035842 k( 50) = ( -0.1111733 0.1387138 0.7995032), wk = 0.0035842 k( 51) = ( -0.1235259 0.1541265 0.7995032), wk = 0.0035842 k( 52) = ( -0.1358785 0.1695391 0.7995032), wk = 0.0035842 k( 53) = ( -0.1482310 0.1849518 0.7995032), wk = 0.0035842 k( 54) = ( -0.1605836 0.2003644 0.7995032), wk = 0.0035842 k( 55) = ( -0.1605836 0.2003644 0.7995032), wk = 0.0035842 k( 56) = ( -0.1695156 0.2115091 0.7852208), wk = 0.0035842 k( 57) = ( -0.1784476 0.2226538 0.7709385), wk = 0.0035842 k( 58) = ( -0.1873797 0.2337985 0.7566561), wk = 0.0035842 k( 59) = ( -0.1963117 0.2449432 0.7423738), wk = 0.0035842 k( 60) = ( -0.2052437 0.2560880 0.7280915), wk = 0.0035842 k( 61) = ( -0.2141757 0.2672327 0.7138091), wk = 0.0035842 k( 62) = ( -0.2231077 0.2783774 0.6995268), wk = 0.0035842 k( 63) = ( -0.2320397 0.2895221 0.6852444), wk = 0.0035842 k( 64) = ( -0.2409717 0.3006668 0.6709621), wk = 0.0035842 k( 65) = ( -0.2499037 0.3118115 0.6566798), wk = 0.0035842 k( 66) = ( -0.2588357 0.3229562 0.6423974), wk = 0.0035842 k( 67) = ( -0.2677677 0.3341009 0.6281151), wk = 0.0035842 k( 68) = ( -0.2766998 0.3452456 0.6138327), wk = 0.0035842 k( 69) = ( -0.2856318 0.3563903 0.5995504), wk = 0.0035842 k( 70) = ( -0.2945638 0.3675350 0.5852681), wk = 0.0035842 k( 71) = ( -0.3034958 0.3786797 0.5709857), wk = 0.0035842 k( 72) = ( -0.3124278 0.3898244 0.5567034), wk = 0.0035842 k( 73) = ( -0.3213598 0.4009691 0.5424210), wk = 0.0035842 k( 74) = ( -0.3302918 0.4121138 0.5281387), wk = 0.0035842 k( 75) = ( -0.3302918 0.4121138 0.5281387), wk = 0.0035842 k( 76) = ( -0.3213650 0.4009756 0.5138647), wk = 0.0035842 k( 77) = ( -0.3124382 0.3898374 0.4995907), wk = 0.0035842 k( 78) = ( -0.3035114 0.3786992 0.4853166), wk = 0.0035842 k( 79) = ( -0.2945846 0.3675610 0.4710426), wk = 0.0035842 k( 80) = ( -0.2856578 0.3564228 0.4567686), wk = 0.0035842 k( 81) = ( -0.2767310 0.3452846 0.4424946), wk = 0.0035842 k( 82) = ( -0.2678042 0.3341463 0.4282206), wk = 0.0035842 k( 83) = ( -0.2588774 0.3230081 0.4139466), wk = 0.0035842 k( 84) = ( -0.2499506 0.3118699 0.3996725), wk = 0.0035842 k( 85) = ( -0.2410238 0.3007317 0.3853985), wk = 0.0035842 k( 86) = ( -0.2320969 0.2895935 0.3711245), wk = 0.0035842 k( 87) = ( -0.2231701 0.2784553 0.3568505), wk = 0.0035842 k( 88) = ( -0.2142433 0.2673171 0.3425765), wk = 0.0035842 k( 89) = ( -0.2053165 0.2561789 0.3283024), wk = 0.0035842 k( 90) = ( -0.1963897 0.2450407 0.3140284), wk = 0.0035842 k( 91) = ( -0.1874629 0.2339024 0.2997544), wk = 0.0035842 k( 92) = ( -0.1785361 0.2227642 0.2854804), wk = 0.0035842 k( 93) = ( -0.1696093 0.2116260 0.2712064), wk = 0.0035842 k( 94) = ( -0.1606825 0.2004878 0.2569323), wk = 0.0035842 k( 95) = ( -0.1517557 0.1893496 0.2426583), wk = 0.0035842 k( 96) = ( -0.1428289 0.1782114 0.2283843), wk = 0.0035842 k( 97) = ( -0.1339021 0.1670732 0.2141103), wk = 0.0035842 k( 98) = ( -0.1249753 0.1559350 0.1998363), wk = 0.0035842 k( 99) = ( -0.1160485 0.1447967 0.1855622), wk = 0.0035842 k( 100) = ( -0.1071217 0.1336585 0.1712882), wk = 0.0035842 k( 101) = ( -0.0981949 0.1225203 0.1570142), wk = 0.0035842 k( 102) = ( -0.0892681 0.1113821 0.1427402), wk = 0.0035842 k( 103) = ( -0.0803413 0.1002439 0.1284662), wk = 0.0035842 k( 104) = ( -0.0714145 0.0891057 0.1141922), wk = 0.0035842 k( 105) = ( -0.0624876 0.0779675 0.0999181), wk = 0.0035842 k( 106) = ( -0.0535608 0.0668293 0.0856441), wk = 0.0035842 k( 107) = ( -0.0446340 0.0556911 0.0713701), wk = 0.0035842 k( 108) = ( -0.0357072 0.0445528 0.0570961), wk = 0.0035842 k( 109) = ( -0.0267804 0.0334146 0.0428221), wk = 0.0035842 k( 110) = ( -0.0178536 0.0222764 0.0285480), wk = 0.0035842 k( 111) = ( -0.0089268 0.0111382 0.0142740), wk = 0.0035842 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 114) = ( 0.0156250 0.0125228 0.0000000), wk = 0.0035842 k( 115) = ( 0.0312500 0.0250456 0.0000000), wk = 0.0035842 k( 116) = ( 0.0468750 0.0375683 0.0000000), wk = 0.0035842 k( 117) = ( 0.0625000 0.0500911 0.0000000), wk = 0.0035842 k( 118) = ( 0.0781250 0.0626139 0.0000000), wk = 0.0035842 k( 119) = ( 0.0937500 0.0751367 0.0000000), wk = 0.0035842 k( 120) = ( 0.1093750 0.0876594 0.0000000), wk = 0.0035842 k( 121) = ( 0.1250000 0.1001822 0.0000000), wk = 0.0035842 k( 122) = ( 0.1406250 0.1127050 0.0000000), wk = 0.0035842 k( 123) = ( 0.1562500 0.1252278 0.0000000), wk = 0.0035842 k( 124) = ( 0.1718750 0.1377505 0.0000000), wk = 0.0035842 k( 125) = ( 0.1875000 0.1502733 0.0000000), wk = 0.0035842 k( 126) = ( 0.2031250 0.1627961 0.0000000), wk = 0.0035842 k( 127) = ( 0.2187500 0.1753189 0.0000000), wk = 0.0035842 k( 128) = ( 0.2343750 0.1878417 0.0000000), wk = 0.0035842 k( 129) = ( 0.2500000 0.2003644 0.0000000), wk = 0.0035842 k( 130) = ( 0.2656250 0.2128872 0.0000000), wk = 0.0035842 k( 131) = ( 0.2812500 0.2254100 0.0000000), wk = 0.0035842 k( 132) = ( 0.2968750 0.2379328 0.0000000), wk = 0.0035842 k( 133) = ( 0.3125000 0.2504555 0.0000000), wk = 0.0035842 k( 134) = ( 0.3281250 0.2629783 0.0000000), wk = 0.0035842 k( 135) = ( 0.3437500 0.2755011 0.0000000), wk = 0.0035842 k( 136) = ( 0.3593750 0.2880239 0.0000000), wk = 0.0035842 k( 137) = ( 0.3750000 0.3005466 0.0000000), wk = 0.0035842 k( 138) = ( 0.3906250 0.3130694 0.0000000), wk = 0.0035842 k( 139) = ( 0.4062500 0.3255922 0.0000000), wk = 0.0035842 k( 140) = ( 0.4218750 0.3381150 0.0000000), wk = 0.0035842 k( 141) = ( 0.4375000 0.3506378 0.0000000), wk = 0.0035842 k( 142) = ( 0.4531250 0.3631605 0.0000000), wk = 0.0035842 k( 143) = ( 0.4687500 0.3756833 0.0000000), wk = 0.0035842 k( 144) = ( 0.4843750 0.3882061 0.0000000), wk = 0.0035842 k( 145) = ( 0.5000000 0.4007289 0.0000000), wk = 0.0035842 k( 146) = ( 0.5000000 0.4007289 0.0000000), wk = 0.0035842 k( 147) = ( 0.4910680 0.4118736 0.0142823), wk = 0.0035842 k( 148) = ( 0.4821360 0.4230183 0.0285647), wk = 0.0035842 k( 149) = ( 0.4732040 0.4341630 0.0428470), wk = 0.0035842 k( 150) = ( 0.4642720 0.4453077 0.0571294), wk = 0.0035842 k( 151) = ( 0.4553399 0.4564524 0.0714117), wk = 0.0035842 k( 152) = ( 0.4464079 0.4675971 0.0856940), wk = 0.0035842 k( 153) = ( 0.4374759 0.4787418 0.0999764), wk = 0.0035842 k( 154) = ( 0.4285439 0.4898865 0.1142587), wk = 0.0035842 k( 155) = ( 0.4196119 0.5010312 0.1285411), wk = 0.0035842 k( 156) = ( 0.4106799 0.5121759 0.1428234), wk = 0.0035842 k( 157) = ( 0.4017479 0.5233206 0.1571057), wk = 0.0035842 k( 158) = ( 0.3928159 0.5344653 0.1713881), wk = 0.0035842 k( 159) = ( 0.3838839 0.5456100 0.1856704), wk = 0.0035842 k( 160) = ( 0.3749519 0.5567547 0.1999528), wk = 0.0035842 k( 161) = ( 0.3660198 0.5678994 0.2142351), wk = 0.0035842 k( 162) = ( 0.3570878 0.5790441 0.2285174), wk = 0.0035842 k( 163) = ( 0.3481558 0.5901889 0.2427998), wk = 0.0035842 k( 164) = ( 0.3392238 0.6013336 0.2570821), wk = 0.0035842 k( 165) = ( 0.3302918 0.6124783 0.2713645), wk = 0.0035842 k( 166) = ( 0.3302918 0.6124783 0.2713645), wk = 0.0035842 k( 167) = ( 0.3119423 0.6069126 0.2784971), wk = 0.0035842 k( 168) = ( 0.2935927 0.6013469 0.2856297), wk = 0.0035842 k( 169) = ( 0.2752432 0.5957812 0.2927623), wk = 0.0035842 k( 170) = ( 0.2568936 0.5902155 0.2998949), wk = 0.0035842 k( 171) = ( 0.2385441 0.5846499 0.3070275), wk = 0.0035842 k( 172) = ( 0.2201945 0.5790842 0.3141602), wk = 0.0035842 k( 173) = ( 0.2018450 0.5735185 0.3212928), wk = 0.0035842 k( 174) = ( 0.1834955 0.5679528 0.3284254), wk = 0.0035842 k( 175) = ( 0.1651459 0.5623871 0.3355580), wk = 0.0035842 k( 176) = ( 0.1467964 0.5568215 0.3426906), wk = 0.0035842 k( 177) = ( 0.1284468 0.5512558 0.3498233), wk = 0.0035842 k( 178) = ( 0.1100973 0.5456901 0.3569559), wk = 0.0035842 k( 179) = ( 0.0917477 0.5401244 0.3640885), wk = 0.0035842 k( 180) = ( 0.0733982 0.5345588 0.3712211), wk = 0.0035842 k( 181) = ( 0.0550486 0.5289931 0.3783537), wk = 0.0035842 k( 182) = ( 0.0366991 0.5234274 0.3854864), wk = 0.0035842 k( 183) = ( 0.0183495 0.5178617 0.3926190), wk = 0.0035842 k( 184) = ( 0.0000000 0.5122960 0.3997516), wk = 0.0035842 k( 185) = ( 0.0000000 0.5122960 0.3997516), wk = 0.0035842 k( 186) = ( 0.0089286 0.5011556 0.4140284), wk = 0.0035842 k( 187) = ( 0.0178571 0.4900152 0.4283053), wk = 0.0035842 k( 188) = ( 0.0267857 0.4788748 0.4425821), wk = 0.0035842 k( 189) = ( 0.0357143 0.4677344 0.4568590), wk = 0.0035842 k( 190) = ( 0.0446429 0.4565940 0.4711358), wk = 0.0035842 k( 191) = ( 0.0535714 0.4454536 0.4854126), wk = 0.0035842 k( 192) = ( 0.0625000 0.4343131 0.4996895), wk = 0.0035842 k( 193) = ( 0.0714286 0.4231727 0.5139663), wk = 0.0035842 k( 194) = ( 0.0803571 0.4120323 0.5282432), wk = 0.0035842 k( 195) = ( 0.0892857 0.4008919 0.5425200), wk = 0.0035842 k( 196) = ( 0.0982143 0.3897515 0.5567969), wk = 0.0035842 k( 197) = ( 0.1071429 0.3786111 0.5710737), wk = 0.0035842 k( 198) = ( 0.1160714 0.3674707 0.5853505), wk = 0.0035842 k( 199) = ( 0.1250000 0.3563302 0.5996274), wk = 0.0035842 k( 200) = ( 0.1339286 0.3451898 0.6139042), wk = 0.0035842 k( 201) = ( 0.1428571 0.3340494 0.6281811), wk = 0.0035842 k( 202) = ( 0.1517857 0.3229090 0.6424579), wk = 0.0035842 k( 203) = ( 0.1607143 0.3117686 0.6567348), wk = 0.0035842 k( 204) = ( 0.1696429 0.3006282 0.6710116), wk = 0.0035842 k( 205) = ( 0.1785714 0.2894877 0.6852884), wk = 0.0035842 k( 206) = ( 0.1875000 0.2783473 0.6995653), wk = 0.0035842 k( 207) = ( 0.1964286 0.2672069 0.7138421), wk = 0.0035842 k( 208) = ( 0.2053571 0.2560665 0.7281190), wk = 0.0035842 k( 209) = ( 0.2142857 0.2449261 0.7423958), wk = 0.0035842 k( 210) = ( 0.2232143 0.2337857 0.7566726), wk = 0.0035842 k( 211) = ( 0.2321429 0.2226453 0.7709495), wk = 0.0035842 k( 212) = ( 0.2410714 0.2115048 0.7852263), wk = 0.0035842 k( 213) = ( 0.2500000 0.2003644 0.7995032), wk = 0.0035842 k( 214) = ( 0.2500000 0.2003644 0.7995032), wk = 0.0035842 k( 215) = ( 0.2625000 0.2103827 0.7866645), wk = 0.0035842 k( 216) = ( 0.2750000 0.2204009 0.7738257), wk = 0.0035842 k( 217) = ( 0.2875000 0.2304191 0.7609870), wk = 0.0035842 k( 218) = ( 0.3000000 0.2404373 0.7481483), wk = 0.0035842 k( 219) = ( 0.3125000 0.2504555 0.7353096), wk = 0.0035842 k( 220) = ( 0.3250000 0.2604738 0.7224709), wk = 0.0035842 k( 221) = ( 0.3375000 0.2704920 0.7096322), wk = 0.0035842 k( 222) = ( 0.3500000 0.2805102 0.6967935), wk = 0.0035842 k( 223) = ( 0.3625000 0.2905284 0.6839548), wk = 0.0035842 k( 224) = ( 0.3750000 0.3005466 0.6711161), wk = 0.0035842 k( 225) = ( 0.3875000 0.3105649 0.6582773), wk = 0.0035842 k( 226) = ( 0.4000000 0.3205831 0.6454386), wk = 0.0035842 k( 227) = ( 0.4125000 0.3306013 0.6325999), wk = 0.0035842 k( 228) = ( 0.4250000 0.3406195 0.6197612), wk = 0.0035842 k( 229) = ( 0.4375000 0.3506378 0.6069225), wk = 0.0035842 k( 230) = ( 0.4500000 0.3606560 0.5940838), wk = 0.0035842 k( 231) = ( 0.4625000 0.3706742 0.5812451), wk = 0.0035842 k( 232) = ( 0.4750000 0.3806924 0.5684064), wk = 0.0035842 k( 233) = ( 0.4875000 0.3907106 0.5555677), wk = 0.0035842 k( 234) = ( 0.5000000 0.4007289 0.5427289), wk = 0.0035842 k( 235) = ( 0.5000000 0.4007289 0.5427289), wk = 0.0035842 k( 236) = ( 0.5000000 0.4007289 0.5226279), wk = 0.0035842 k( 237) = ( 0.5000000 0.4007289 0.5025268), wk = 0.0035842 k( 238) = ( 0.5000000 0.4007289 0.4824257), wk = 0.0035842 k( 239) = ( 0.5000000 0.4007289 0.4623247), wk = 0.0035842 k( 240) = ( 0.5000000 0.4007289 0.4422236), wk = 0.0035842 k( 241) = ( 0.5000000 0.4007289 0.4221225), wk = 0.0035842 k( 242) = ( 0.5000000 0.4007289 0.4020214), wk = 0.0035842 k( 243) = ( 0.5000000 0.4007289 0.3819204), wk = 0.0035842 k( 244) = ( 0.5000000 0.4007289 0.3618193), wk = 0.0035842 k( 245) = ( 0.5000000 0.4007289 0.3417182), wk = 0.0035842 k( 246) = ( 0.5000000 0.4007289 0.3216171), wk = 0.0035842 k( 247) = ( 0.5000000 0.4007289 0.3015161), wk = 0.0035842 k( 248) = ( 0.5000000 0.4007289 0.2814150), wk = 0.0035842 k( 249) = ( 0.5000000 0.4007289 0.2613139), wk = 0.0035842 k( 250) = ( 0.5000000 0.4007289 0.2412129), wk = 0.0035842 k( 251) = ( 0.5000000 0.4007289 0.2211118), wk = 0.0035842 k( 252) = ( 0.5000000 0.4007289 0.2010107), wk = 0.0035842 k( 253) = ( 0.5000000 0.4007289 0.1809096), wk = 0.0035842 k( 254) = ( 0.5000000 0.4007289 0.1608086), wk = 0.0035842 k( 255) = ( 0.5000000 0.4007289 0.1407075), wk = 0.0035842 k( 256) = ( 0.5000000 0.4007289 0.1206064), wk = 0.0035842 k( 257) = ( 0.5000000 0.4007289 0.1005054), wk = 0.0035842 k( 258) = ( 0.5000000 0.4007289 0.0804043), wk = 0.0035842 k( 259) = ( 0.5000000 0.4007289 0.0603032), wk = 0.0035842 k( 260) = ( 0.5000000 0.4007289 0.0402021), wk = 0.0035842 k( 261) = ( 0.5000000 0.4007289 0.0201011), wk = 0.0035842 k( 262) = ( 0.5000000 0.4007289 0.0000000), wk = 0.0035842 k( 263) = ( 0.0000000 0.0000000 0.7995032), wk = 0.0035842 k( 264) = ( 0.0156250 0.0125228 0.7995032), wk = 0.0035842 k( 265) = ( 0.0312500 0.0250456 0.7995032), wk = 0.0035842 k( 266) = ( 0.0468750 0.0375683 0.7995032), wk = 0.0035842 k( 267) = ( 0.0625000 0.0500911 0.7995032), wk = 0.0035842 k( 268) = ( 0.0781250 0.0626139 0.7995032), wk = 0.0035842 k( 269) = ( 0.0937500 0.0751367 0.7995032), wk = 0.0035842 k( 270) = ( 0.1093750 0.0876594 0.7995032), wk = 0.0035842 k( 271) = ( 0.1250000 0.1001822 0.7995032), wk = 0.0035842 k( 272) = ( 0.1406250 0.1127050 0.7995032), wk = 0.0035842 k( 273) = ( 0.1562500 0.1252278 0.7995032), wk = 0.0035842 k( 274) = ( 0.1718750 0.1377505 0.7995032), wk = 0.0035842 k( 275) = ( 0.1875000 0.1502733 0.7995032), wk = 0.0035842 k( 276) = ( 0.2031250 0.1627961 0.7995032), wk = 0.0035842 k( 277) = ( 0.2187500 0.1753189 0.7995032), wk = 0.0035842 k( 278) = ( 0.2343750 0.1878417 0.7995032), wk = 0.0035842 k( 279) = ( 0.2500000 0.2003644 0.7995032), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0035842 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0035842 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0035842 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0035842 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0035842 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0035842 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0035842 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0035842 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0035842 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0035842 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0035842 k( 13) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0035842 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035842 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0035842 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0035842 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0035842 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0035842 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0035842 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0035842 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0035842 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0035842 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0035842 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0035842 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0035842 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0035842 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035842 k( 28) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0035842 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0035842 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0035842 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0035842 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0035842 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0035842 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0035842 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0035842 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0035842 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0035842 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0035842 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0035842 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 42) = ( -0.0123526 0.0123526 0.5000000), wk = 0.0035842 k( 43) = ( -0.0247052 0.0247052 0.5000000), wk = 0.0035842 k( 44) = ( -0.0370578 0.0370578 0.5000000), wk = 0.0035842 k( 45) = ( -0.0494103 0.0494104 0.5000000), wk = 0.0035842 k( 46) = ( -0.0617629 0.0617629 0.5000000), wk = 0.0035842 k( 47) = ( -0.0741155 0.0741155 0.5000000), wk = 0.0035842 k( 48) = ( -0.0864681 0.0864681 0.5000000), wk = 0.0035842 k( 49) = ( -0.0988207 0.0988207 0.5000000), wk = 0.0035842 k( 50) = ( -0.1111733 0.1111733 0.5000000), wk = 0.0035842 k( 51) = ( -0.1235259 0.1235259 0.5000000), wk = 0.0035842 k( 52) = ( -0.1358785 0.1358785 0.5000000), wk = 0.0035842 k( 53) = ( -0.1482310 0.1482310 0.5000000), wk = 0.0035842 k( 54) = ( -0.1605836 0.1605836 0.5000000), wk = 0.0035842 k( 55) = ( -0.1605836 0.1605836 0.5000000), wk = 0.0035842 k( 56) = ( -0.1695156 0.1695156 0.4910680), wk = 0.0035842 k( 57) = ( -0.1784476 0.1784476 0.4821360), wk = 0.0035842 k( 58) = ( -0.1873797 0.1873797 0.4732040), wk = 0.0035842 k( 59) = ( -0.1963117 0.1963117 0.4642720), wk = 0.0035842 k( 60) = ( -0.2052437 0.2052437 0.4553399), wk = 0.0035842 k( 61) = ( -0.2141757 0.2141757 0.4464079), wk = 0.0035842 k( 62) = ( -0.2231077 0.2231077 0.4374759), wk = 0.0035842 k( 63) = ( -0.2320397 0.2320397 0.4285439), wk = 0.0035842 k( 64) = ( -0.2409717 0.2409717 0.4196119), wk = 0.0035842 k( 65) = ( -0.2499037 0.2499037 0.4106799), wk = 0.0035842 k( 66) = ( -0.2588357 0.2588357 0.4017479), wk = 0.0035842 k( 67) = ( -0.2677677 0.2677677 0.3928159), wk = 0.0035842 k( 68) = ( -0.2766998 0.2766998 0.3838839), wk = 0.0035842 k( 69) = ( -0.2856318 0.2856318 0.3749519), wk = 0.0035842 k( 70) = ( -0.2945638 0.2945638 0.3660198), wk = 0.0035842 k( 71) = ( -0.3034958 0.3034958 0.3570878), wk = 0.0035842 k( 72) = ( -0.3124278 0.3124278 0.3481558), wk = 0.0035842 k( 73) = ( -0.3213598 0.3213598 0.3392238), wk = 0.0035842 k( 74) = ( -0.3302918 0.3302918 0.3302918), wk = 0.0035842 k( 75) = ( -0.3302918 0.3302918 0.3302918), wk = 0.0035842 k( 76) = ( -0.3213650 0.3213650 0.3213650), wk = 0.0035842 k( 77) = ( -0.3124382 0.3124382 0.3124382), wk = 0.0035842 k( 78) = ( -0.3035114 0.3035114 0.3035114), wk = 0.0035842 k( 79) = ( -0.2945846 0.2945846 0.2945846), wk = 0.0035842 k( 80) = ( -0.2856578 0.2856578 0.2856578), wk = 0.0035842 k( 81) = ( -0.2767310 0.2767310 0.2767310), wk = 0.0035842 k( 82) = ( -0.2678042 0.2678042 0.2678042), wk = 0.0035842 k( 83) = ( -0.2588774 0.2588774 0.2588774), wk = 0.0035842 k( 84) = ( -0.2499506 0.2499506 0.2499506), wk = 0.0035842 k( 85) = ( -0.2410238 0.2410238 0.2410238), wk = 0.0035842 k( 86) = ( -0.2320969 0.2320970 0.2320969), wk = 0.0035842 k( 87) = ( -0.2231701 0.2231701 0.2231701), wk = 0.0035842 k( 88) = ( -0.2142433 0.2142433 0.2142433), wk = 0.0035842 k( 89) = ( -0.2053165 0.2053165 0.2053165), wk = 0.0035842 k( 90) = ( -0.1963897 0.1963897 0.1963897), wk = 0.0035842 k( 91) = ( -0.1874629 0.1874629 0.1874629), wk = 0.0035842 k( 92) = ( -0.1785361 0.1785361 0.1785361), wk = 0.0035842 k( 93) = ( -0.1696093 0.1696093 0.1696093), wk = 0.0035842 k( 94) = ( -0.1606825 0.1606825 0.1606825), wk = 0.0035842 k( 95) = ( -0.1517557 0.1517557 0.1517557), wk = 0.0035842 k( 96) = ( -0.1428289 0.1428289 0.1428289), wk = 0.0035842 k( 97) = ( -0.1339021 0.1339021 0.1339021), wk = 0.0035842 k( 98) = ( -0.1249753 0.1249753 0.1249753), wk = 0.0035842 k( 99) = ( -0.1160485 0.1160485 0.1160485), wk = 0.0035842 k( 100) = ( -0.1071217 0.1071217 0.1071217), wk = 0.0035842 k( 101) = ( -0.0981949 0.0981949 0.0981949), wk = 0.0035842 k( 102) = ( -0.0892681 0.0892681 0.0892681), wk = 0.0035842 k( 103) = ( -0.0803413 0.0803413 0.0803413), wk = 0.0035842 k( 104) = ( -0.0714145 0.0714145 0.0714145), wk = 0.0035842 k( 105) = ( -0.0624876 0.0624876 0.0624876), wk = 0.0035842 k( 106) = ( -0.0535608 0.0535608 0.0535608), wk = 0.0035842 k( 107) = ( -0.0446340 0.0446340 0.0446340), wk = 0.0035842 k( 108) = ( -0.0357072 0.0357072 0.0357072), wk = 0.0035842 k( 109) = ( -0.0267804 0.0267804 0.0267804), wk = 0.0035842 k( 110) = ( -0.0178536 0.0178536 0.0178536), wk = 0.0035842 k( 111) = ( -0.0089268 0.0089268 0.0089268), wk = 0.0035842 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 114) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0035842 k( 115) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0035842 k( 116) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0035842 k( 117) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0035842 k( 118) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0035842 k( 119) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0035842 k( 120) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0035842 k( 121) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0035842 k( 122) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0035842 k( 123) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0035842 k( 124) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0035842 k( 125) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0035842 k( 126) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0035842 k( 127) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0035842 k( 128) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0035842 k( 129) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0035842 k( 130) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0035842 k( 131) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0035842 k( 132) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0035842 k( 133) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0035842 k( 134) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0035842 k( 135) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0035842 k( 136) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0035842 k( 137) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0035842 k( 138) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0035842 k( 139) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0035842 k( 140) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0035842 k( 141) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0035842 k( 142) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0035842 k( 143) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0035842 k( 144) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0035842 k( 145) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 146) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 147) = ( 0.4910680 0.5089320 -0.4910680), wk = 0.0035842 k( 148) = ( 0.4821360 0.5178640 -0.4821360), wk = 0.0035842 k( 149) = ( 0.4732040 0.5267960 -0.4732040), wk = 0.0035842 k( 150) = ( 0.4642720 0.5357280 -0.4642720), wk = 0.0035842 k( 151) = ( 0.4553399 0.5446600 -0.4553400), wk = 0.0035842 k( 152) = ( 0.4464079 0.5535921 -0.4464079), wk = 0.0035842 k( 153) = ( 0.4374759 0.5625241 -0.4374759), wk = 0.0035842 k( 154) = ( 0.4285439 0.5714561 -0.4285439), wk = 0.0035842 k( 155) = ( 0.4196119 0.5803881 -0.4196119), wk = 0.0035842 k( 156) = ( 0.4106799 0.5893201 -0.4106799), wk = 0.0035842 k( 157) = ( 0.4017479 0.5982521 -0.4017479), wk = 0.0035842 k( 158) = ( 0.3928159 0.6071841 -0.3928159), wk = 0.0035842 k( 159) = ( 0.3838839 0.6161161 -0.3838839), wk = 0.0035842 k( 160) = ( 0.3749519 0.6250481 -0.3749519), wk = 0.0035842 k( 161) = ( 0.3660198 0.6339802 -0.3660198), wk = 0.0035842 k( 162) = ( 0.3570878 0.6429122 -0.3570878), wk = 0.0035842 k( 163) = ( 0.3481558 0.6518442 -0.3481558), wk = 0.0035842 k( 164) = ( 0.3392238 0.6607762 -0.3392238), wk = 0.0035842 k( 165) = ( 0.3302918 0.6697082 -0.3302918), wk = 0.0035842 k( 166) = ( 0.3302918 0.6697082 -0.3302918), wk = 0.0035842 k( 167) = ( 0.3119423 0.6602800 -0.3119423), wk = 0.0035842 k( 168) = ( 0.2935927 0.6508517 -0.2935927), wk = 0.0035842 k( 169) = ( 0.2752432 0.6414235 -0.2752432), wk = 0.0035842 k( 170) = ( 0.2568936 0.6319953 -0.2568936), wk = 0.0035842 k( 171) = ( 0.2385441 0.6225670 -0.2385441), wk = 0.0035842 k( 172) = ( 0.2201945 0.6131388 -0.2201945), wk = 0.0035842 k( 173) = ( 0.2018450 0.6037106 -0.2018450), wk = 0.0035842 k( 174) = ( 0.1834955 0.5942823 -0.1834955), wk = 0.0035842 k( 175) = ( 0.1651459 0.5848541 -0.1651459), wk = 0.0035842 k( 176) = ( 0.1467964 0.5754259 -0.1467964), wk = 0.0035842 k( 177) = ( 0.1284468 0.5659976 -0.1284468), wk = 0.0035842 k( 178) = ( 0.1100973 0.5565694 -0.1100973), wk = 0.0035842 k( 179) = ( 0.0917477 0.5471412 -0.0917477), wk = 0.0035842 k( 180) = ( 0.0733982 0.5377129 -0.0733982), wk = 0.0035842 k( 181) = ( 0.0550486 0.5282847 -0.0550486), wk = 0.0035842 k( 182) = ( 0.0366991 0.5188565 -0.0366991), wk = 0.0035842 k( 183) = ( 0.0183495 0.5094282 -0.0183496), wk = 0.0035842 k( 184) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035842 k( 185) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035842 k( 186) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0035842 k( 187) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0035842 k( 188) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0035842 k( 189) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0035842 k( 190) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0035842 k( 191) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0035842 k( 192) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0035842 k( 193) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0035842 k( 194) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0035842 k( 195) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0035842 k( 196) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0035842 k( 197) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0035842 k( 198) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0035842 k( 199) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0035842 k( 200) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0035842 k( 201) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0035842 k( 202) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0035842 k( 203) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0035842 k( 204) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0035842 k( 205) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0035842 k( 206) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0035842 k( 207) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0035842 k( 208) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0035842 k( 209) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0035842 k( 210) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0035842 k( 211) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0035842 k( 212) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0035842 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 k( 214) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 k( 215) = ( 0.2625000 0.2625000 0.2294708), wk = 0.0035842 k( 216) = ( 0.2750000 0.2750000 0.2089416), wk = 0.0035842 k( 217) = ( 0.2875000 0.2875000 0.1884125), wk = 0.0035842 k( 218) = ( 0.3000000 0.3000000 0.1678833), wk = 0.0035842 k( 219) = ( 0.3125000 0.3125000 0.1473541), wk = 0.0035842 k( 220) = ( 0.3250000 0.3250000 0.1268249), wk = 0.0035842 k( 221) = ( 0.3375000 0.3375000 0.1062957), wk = 0.0035842 k( 222) = ( 0.3500000 0.3500000 0.0857665), wk = 0.0035842 k( 223) = ( 0.3625000 0.3625000 0.0652374), wk = 0.0035842 k( 224) = ( 0.3750000 0.3750000 0.0447082), wk = 0.0035842 k( 225) = ( 0.3875000 0.3875000 0.0241790), wk = 0.0035842 k( 226) = ( 0.4000000 0.4000000 0.0036498), wk = 0.0035842 k( 227) = ( 0.4125000 0.4125000 -0.0168794), wk = 0.0035842 k( 228) = ( 0.4250000 0.4250000 -0.0374085), wk = 0.0035842 k( 229) = ( 0.4375000 0.4375000 -0.0579377), wk = 0.0035842 k( 230) = ( 0.4500000 0.4500000 -0.0784669), wk = 0.0035842 k( 231) = ( 0.4625000 0.4625000 -0.0989961), wk = 0.0035842 k( 232) = ( 0.4750000 0.4750000 -0.1195253), wk = 0.0035842 k( 233) = ( 0.4875000 0.4875000 -0.1400544), wk = 0.0035842 k( 234) = ( 0.5000000 0.5000000 -0.1605836), wk = 0.0035842 k( 235) = ( 0.5000000 0.5000000 -0.1605836), wk = 0.0035842 k( 236) = ( 0.5000000 0.5000000 -0.1731546), wk = 0.0035842 k( 237) = ( 0.5000000 0.5000000 -0.1857256), wk = 0.0035842 k( 238) = ( 0.5000000 0.5000000 -0.1982965), wk = 0.0035842 k( 239) = ( 0.5000000 0.5000000 -0.2108675), wk = 0.0035842 k( 240) = ( 0.5000000 0.5000000 -0.2234385), wk = 0.0035842 k( 241) = ( 0.5000000 0.5000000 -0.2360095), wk = 0.0035842 k( 242) = ( 0.5000000 0.5000000 -0.2485805), wk = 0.0035842 k( 243) = ( 0.5000000 0.5000000 -0.2611514), wk = 0.0035842 k( 244) = ( 0.5000000 0.5000000 -0.2737224), wk = 0.0035842 k( 245) = ( 0.5000000 0.5000000 -0.2862934), wk = 0.0035842 k( 246) = ( 0.5000000 0.5000000 -0.2988644), wk = 0.0035842 k( 247) = ( 0.5000000 0.5000000 -0.3114353), wk = 0.0035842 k( 248) = ( 0.5000000 0.5000000 -0.3240063), wk = 0.0035842 k( 249) = ( 0.5000000 0.5000000 -0.3365773), wk = 0.0035842 k( 250) = ( 0.5000000 0.5000000 -0.3491483), wk = 0.0035842 k( 251) = ( 0.5000000 0.5000000 -0.3617192), wk = 0.0035842 k( 252) = ( 0.5000000 0.5000000 -0.3742902), wk = 0.0035842 k( 253) = ( 0.5000000 0.5000000 -0.3868612), wk = 0.0035842 k( 254) = ( 0.5000000 0.5000000 -0.3994322), wk = 0.0035842 k( 255) = ( 0.5000000 0.5000000 -0.4120032), wk = 0.0035842 k( 256) = ( 0.5000000 0.5000000 -0.4245741), wk = 0.0035842 k( 257) = ( 0.5000000 0.5000000 -0.4371451), wk = 0.0035842 k( 258) = ( 0.5000000 0.5000000 -0.4497161), wk = 0.0035842 k( 259) = ( 0.5000000 0.5000000 -0.4622871), wk = 0.0035842 k( 260) = ( 0.5000000 0.5000000 -0.4748580), wk = 0.0035842 k( 261) = ( 0.5000000 0.5000000 -0.4874290), wk = 0.0035842 k( 262) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 264) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0035842 k( 265) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0035842 k( 266) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0035842 k( 267) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0035842 k( 268) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0035842 k( 269) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0035842 k( 270) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0035842 k( 271) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035842 k( 272) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0035842 k( 273) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0035842 k( 274) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0035842 k( 275) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0035842 k( 276) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0035842 k( 277) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0035842 k( 278) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0035842 k( 279) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 Dense grid: 142751 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 68259 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 478, 58) NL pseudopotentials 0.85 Mb ( 239, 232) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.03 Mb ( 3967) G-vector shells 0.01 Mb ( 1814) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.69 Mb ( 478, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.41 Mb ( 232, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./MgSiP2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.3 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.5 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.8 secs Computing kpt #: 10 total cpu time spent up to now is 14.1 secs Computing kpt #: 11 total cpu time spent up to now is 15.5 secs Computing kpt #: 12 total cpu time spent up to now is 17.1 secs Computing kpt #: 13 total cpu time spent up to now is 18.6 secs Computing kpt #: 14 total cpu time spent up to now is 20.2 secs Computing kpt #: 15 total cpu time spent up to now is 21.8 secs Computing kpt #: 16 total cpu time spent up to now is 23.5 secs Computing kpt #: 17 total cpu time spent up to now is 25.3 secs Computing kpt #: 18 total cpu time spent up to now is 26.7 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.5 secs Computing kpt #: 20 total cpu time spent up to now is 30.8 secs Computing kpt #: 21 total cpu time spent up to now is 32.1 secs Computing kpt #: 22 total cpu time spent up to now is 33.3 secs Computing kpt #: 23 total cpu time spent up to now is 34.5 secs Computing kpt #: 24 total cpu time spent up to now is 35.6 secs Computing kpt #: 25 total cpu time spent up to now is 36.8 secs Computing kpt #: 26 total cpu time spent up to now is 38.0 secs Computing kpt #: 27 total cpu time spent up to now is 39.1 secs Computing kpt #: 28 total cpu time spent up to now is 40.3 secs Computing kpt #: 29 total cpu time spent up to now is 41.5 secs Computing kpt #: 30 total cpu time spent up to now is 42.7 secs Computing kpt #: 31 total cpu time spent up to now is 44.0 secs Computing kpt #: 32 total cpu time spent up to now is 45.4 secs Computing kpt #: 33 total cpu time spent up to now is 46.6 secs Computing kpt #: 34 total cpu time spent up to now is 48.0 secs Computing kpt #: 35 total cpu time spent up to now is 49.1 secs Computing kpt #: 36 total cpu time spent up to now is 50.5 secs Computing kpt #: 37 total cpu time spent up to now is 51.8 secs Computing kpt #: 38 total cpu time spent up to now is 53.3 secs Computing kpt #: 39 total cpu time spent up to now is 54.8 secs Computing kpt #: 40 total cpu time spent up to now is 56.4 secs Computing kpt #: 41 total cpu time spent up to now is 58.0 secs Computing kpt #: 42 total cpu time spent up to now is 59.6 secs Computing kpt #: 43 total cpu time spent up to now is 61.2 secs Computing kpt #: 44 total cpu time spent up to now is 62.8 secs Computing kpt #: 45 total cpu time spent up to now is 64.4 secs Computing kpt #: 46 total cpu time spent up to now is 66.0 secs Computing kpt #: 47 total cpu time spent up to now is 67.6 secs Computing kpt #: 48 total cpu time spent up to now is 69.3 secs Computing kpt #: 49 total cpu time spent up to now is 70.8 secs Computing kpt #: 50 total cpu time spent up to now is 73.0 secs Computing kpt #: 51 total cpu time spent up to now is 74.7 secs Computing kpt #: 52 total cpu time spent up to now is 76.4 secs Computing kpt #: 53 total cpu time spent up to now is 78.1 secs Computing kpt #: 54 total cpu time spent up to now is 79.7 secs Computing kpt #: 55 total cpu time spent up to now is 81.4 secs Computing kpt #: 56 total cpu time spent up to now is 83.0 secs Computing kpt #: 57 total cpu time spent up to now is 84.4 secs Computing kpt #: 58 total cpu time spent up to now is 85.8 secs Computing kpt #: 59 total cpu time spent up to now is 87.2 secs Computing kpt #: 60 total cpu time spent up to now is 88.5 secs Computing kpt #: 61 total cpu time spent up to now is 89.8 secs Computing kpt #: 62 total cpu time spent up to now is 91.0 secs Computing kpt #: 63 total cpu time spent up to now is 92.3 secs Computing kpt #: 64 total cpu time spent up to now is 93.5 secs Computing kpt #: 65 total cpu time spent up to now is 94.8 secs Computing kpt #: 66 total cpu time spent up to now is 96.1 secs Computing kpt #: 67 total cpu time spent up to now is 97.3 secs Computing kpt #: 68 total cpu time spent up to now is 98.6 secs Computing kpt #: 69 total cpu time spent up to now is 99.9 secs Computing kpt #: 70 total cpu time spent up to now is 101.2 secs Computing kpt #: 71 total cpu time spent up to now is 102.5 secs Computing kpt #: 72 total cpu time spent up to now is 103.7 secs Computing kpt #: 73 total cpu time spent up to now is 105.0 secs Computing kpt #: 74 total cpu time spent up to now is 106.2 secs Computing kpt #: 75 total cpu time spent up to now is 107.4 secs Computing kpt #: 76 total cpu time spent up to now is 108.6 secs Computing kpt #: 77 total cpu time spent up to now is 109.8 secs Computing kpt #: 78 total cpu time spent up to now is 111.0 secs Computing kpt #: 79 total cpu time spent up to now is 112.3 secs Computing kpt #: 80 total cpu time spent up to now is 113.5 secs Computing kpt #: 81 total cpu time spent up to now is 114.7 secs Computing kpt #: 82 total cpu time spent up to now is 115.9 secs Computing kpt #: 83 total cpu time spent up to now is 117.7 secs Computing kpt #: 84 total cpu time spent up to now is 119.7 secs Computing kpt #: 85 total cpu time spent up to now is 121.7 secs Computing kpt #: 86 total cpu time spent up to now is 123.3 secs Computing kpt #: 87 total cpu time spent up to now is 124.6 secs Computing kpt #: 88 total cpu time spent up to now is 125.9 secs Computing kpt #: 89 total cpu time spent up to now is 127.1 secs Computing kpt #: 90 total cpu time spent up to now is 128.3 secs Computing kpt #: 91 total cpu time spent up to now is 129.6 secs Computing kpt #: 92 total cpu time spent up to now is 130.8 secs Computing kpt #: 93 total cpu time spent up to now is 131.9 secs Computing kpt #: 94 total cpu time spent up to now is 133.1 secs Computing kpt #: 95 total cpu time spent up to now is 134.3 secs Computing kpt #: 96 total cpu time spent up to now is 135.5 secs Computing kpt #: 97 total cpu time spent up to now is 136.7 secs Computing kpt #: 98 total cpu time spent up to now is 137.8 secs Computing kpt #: 99 total cpu time spent up to now is 138.8 secs Computing kpt #: 100 total cpu time spent up to now is 139.8 secs Computing kpt #: 101 total cpu time spent up to now is 140.8 secs Computing kpt #: 102 total cpu time spent up to now is 141.8 secs Computing kpt #: 103 total cpu time spent up to now is 142.8 secs Computing kpt #: 104 total cpu time spent up to now is 143.8 secs Computing kpt #: 105 total cpu time spent up to now is 144.8 secs Computing kpt #: 106 total cpu time spent up to now is 145.8 secs Computing kpt #: 107 total cpu time spent up to now is 146.8 secs Computing kpt #: 108 total cpu time spent up to now is 147.9 secs Computing kpt #: 109 total cpu time spent up to now is 149.0 secs Computing kpt #: 110 total cpu time spent up to now is 150.1 secs Computing kpt #: 111 total cpu time spent up to now is 151.1 secs Computing kpt #: 112 total cpu time spent up to now is 152.2 secs Computing kpt #: 113 total cpu time spent up to now is 153.2 secs Computing kpt #: 114 total cpu time spent up to now is 154.3 secs Computing kpt #: 115 total cpu time spent up to now is 155.4 secs Computing kpt #: 116 total cpu time spent up to now is 156.5 secs Computing kpt #: 117 total cpu time spent up to now is 157.6 secs Computing kpt #: 118 total cpu time spent up to now is 158.6 secs Computing kpt #: 119 total cpu time spent up to now is 159.7 secs Computing kpt #: 120 total cpu time spent up to now is 160.8 secs Computing kpt #: 121 total cpu time spent up to now is 162.2 secs Computing kpt #: 122 total cpu time spent up to now is 163.4 secs Computing kpt #: 123 total cpu time spent up to now is 164.6 secs Computing kpt #: 124 total cpu time spent up to now is 166.1 secs Computing kpt #: 125 total cpu time spent up to now is 167.4 secs Computing kpt #: 126 total cpu time spent up to now is 168.6 secs Computing kpt #: 127 total cpu time spent up to now is 169.8 secs Computing kpt #: 128 total cpu time spent up to now is 171.1 secs Computing kpt #: 129 total cpu time spent up to now is 172.3 secs Computing kpt #: 130 total cpu time spent up to now is 173.6 secs Computing kpt #: 131 total cpu time spent up to now is 174.6 secs Computing kpt #: 132 total cpu time spent up to now is 175.7 secs Computing kpt #: 133 total cpu time spent up to now is 176.7 secs Computing kpt #: 134 total cpu time spent up to now is 177.7 secs Computing kpt #: 135 total cpu time spent up to now is 178.8 secs Computing kpt #: 136 total cpu time spent up to now is 179.7 secs Computing kpt #: 137 total cpu time spent up to now is 180.7 secs Computing kpt #: 138 total cpu time spent up to now is 181.7 secs Computing kpt #: 139 total cpu time spent up to now is 182.6 secs Computing kpt #: 140 total cpu time spent up to now is 183.7 secs Computing kpt #: 141 total cpu time spent up to now is 184.6 secs Computing kpt #: 142 total cpu time spent up to now is 185.6 secs Computing kpt #: 143 total cpu time spent up to now is 186.9 secs Computing kpt #: 144 total cpu time spent up to now is 188.2 secs Computing kpt #: 145 total cpu time spent up to now is 189.2 secs Computing kpt #: 146 total cpu time spent up to now is 190.2 secs Computing kpt #: 147 total cpu time spent up to now is 191.2 secs Computing kpt #: 148 total cpu time spent up to now is 192.9 secs Computing kpt #: 149 total cpu time spent up to now is 194.6 secs Computing kpt #: 150 total cpu time spent up to now is 196.2 secs Computing kpt #: 151 total cpu time spent up to now is 197.5 secs Computing kpt #: 152 total cpu time spent up to now is 198.8 secs Computing kpt #: 153 total cpu time spent up to now is 200.1 secs Computing kpt #: 154 total cpu time spent up to now is 201.5 secs Computing kpt #: 155 total cpu time spent up to now is 202.8 secs Computing kpt #: 156 total cpu time spent up to now is 204.2 secs Computing kpt #: 157 total cpu time spent up to now is 205.6 secs Computing kpt #: 158 total cpu time spent up to now is 206.9 secs Computing kpt #: 159 total cpu time spent up to now is 208.3 secs Computing kpt #: 160 total cpu time spent up to now is 209.7 secs Computing kpt #: 161 total cpu time spent up to now is 211.7 secs Computing kpt #: 162 total cpu time spent up to now is 212.9 secs Computing kpt #: 163 total cpu time spent up to now is 214.2 secs Computing kpt #: 164 total cpu time spent up to now is 215.4 secs Computing kpt #: 165 total cpu time spent up to now is 216.6 secs Computing kpt #: 166 total cpu time spent up to now is 217.8 secs Computing kpt #: 167 total cpu time spent up to now is 219.1 secs Computing kpt #: 168 total cpu time spent up to now is 220.3 secs Computing kpt #: 169 total cpu time spent up to now is 221.5 secs Computing kpt #: 170 total cpu time spent up to now is 222.8 secs Computing kpt #: 171 total cpu time spent up to now is 224.0 secs Computing kpt #: 172 total cpu time spent up to now is 225.2 secs Computing kpt #: 173 total cpu time spent up to now is 226.4 secs Computing kpt #: 174 total cpu time spent up to now is 227.7 secs Computing kpt #: 175 total cpu time spent up to now is 228.9 secs Computing kpt #: 176 total cpu time spent up to now is 230.1 secs Computing kpt #: 177 total cpu time spent up to now is 231.4 secs Computing kpt #: 178 total cpu time spent up to now is 232.6 secs Computing kpt #: 179 total cpu time spent up to now is 233.9 secs Computing kpt #: 180 total cpu time spent up to now is 235.2 secs Computing kpt #: 181 total cpu time spent up to now is 236.5 secs Computing kpt #: 182 total cpu time spent up to now is 237.9 secs Computing kpt #: 183 total cpu time spent up to now is 239.3 secs Computing kpt #: 184 total cpu time spent up to now is 241.0 secs Computing kpt #: 185 total cpu time spent up to now is 242.4 secs Computing kpt #: 186 total cpu time spent up to now is 243.8 secs Computing kpt #: 187 total cpu time spent up to now is 245.4 secs Computing kpt #: 188 total cpu time spent up to now is 247.1 secs Computing kpt #: 189 total cpu time spent up to now is 248.6 secs Computing kpt #: 190 total cpu time spent up to now is 250.0 secs Computing kpt #: 191 total cpu time spent up to now is 251.5 secs Computing kpt #: 192 total cpu time spent up to now is 252.8 secs Computing kpt #: 193 total cpu time spent up to now is 254.1 secs Computing kpt #: 194 total cpu time spent up to now is 255.4 secs Computing kpt #: 195 total cpu time spent up to now is 256.6 secs Computing kpt #: 196 total cpu time spent up to now is 257.9 secs Computing kpt #: 197 total cpu time spent up to now is 259.1 secs Computing kpt #: 198 total cpu time spent up to now is 260.4 secs Computing kpt #: 199 total cpu time spent up to now is 261.6 secs Computing kpt #: 200 total cpu time spent up to now is 262.8 secs Computing kpt #: 201 total cpu time spent up to now is 264.0 secs Computing kpt #: 202 total cpu time spent up to now is 265.2 secs Computing kpt #: 203 total cpu time spent up to now is 266.4 secs Computing kpt #: 204 total cpu time spent up to now is 267.6 secs Computing kpt #: 205 total cpu time spent up to now is 268.9 secs Computing kpt #: 206 total cpu time spent up to now is 270.1 secs Computing kpt #: 207 total cpu time spent up to now is 271.5 secs Computing kpt #: 208 total cpu time spent up to now is 272.8 secs Computing kpt #: 209 total cpu time spent up to now is 274.1 secs Computing kpt #: 210 total cpu time spent up to now is 275.3 secs Computing kpt #: 211 total cpu time spent up to now is 276.9 secs Computing kpt #: 212 total cpu time spent up to now is 278.4 secs Computing kpt #: 213 total cpu time spent up to now is 280.6 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.4 secs Computing kpt #: 215 total cpu time spent up to now is 285.3 secs Computing kpt #: 216 total cpu time spent up to now is 286.9 secs Computing kpt #: 217 total cpu time spent up to now is 288.6 secs Computing kpt #: 218 total cpu time spent up to now is 290.2 secs Computing kpt #: 219 total cpu time spent up to now is 291.8 secs Computing kpt #: 220 total cpu time spent up to now is 293.3 secs Computing kpt #: 221 total cpu time spent up to now is 294.7 secs Computing kpt #: 222 total cpu time spent up to now is 296.2 secs Computing kpt #: 223 total cpu time spent up to now is 297.6 secs Computing kpt #: 224 total cpu time spent up to now is 299.1 secs Computing kpt #: 225 total cpu time spent up to now is 300.7 secs Computing kpt #: 226 total cpu time spent up to now is 302.2 secs Computing kpt #: 227 total cpu time spent up to now is 303.6 secs Computing kpt #: 228 total cpu time spent up to now is 305.2 secs Computing kpt #: 229 total cpu time spent up to now is 306.7 secs Computing kpt #: 230 total cpu time spent up to now is 308.3 secs Computing kpt #: 231 total cpu time spent up to now is 309.8 secs Computing kpt #: 232 total cpu time spent up to now is 311.5 secs Computing kpt #: 233 total cpu time spent up to now is 313.1 secs Computing kpt #: 234 total cpu time spent up to now is 314.7 secs Computing kpt #: 235 total cpu time spent up to now is 316.4 secs Computing kpt #: 236 total cpu time spent up to now is 318.1 secs Computing kpt #: 237 total cpu time spent up to now is 320.1 secs Computing kpt #: 238 total cpu time spent up to now is 322.4 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 325.2 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.9 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.7 secs Computing kpt #: 242 total cpu time spent up to now is 333.1 secs Computing kpt #: 243 total cpu time spent up to now is 335.4 secs Computing kpt #: 244 total cpu time spent up to now is 337.4 secs Computing kpt #: 245 total cpu time spent up to now is 339.4 secs Computing kpt #: 246 total cpu time spent up to now is 341.4 secs Computing kpt #: 247 total cpu time spent up to now is 343.3 secs Computing kpt #: 248 total cpu time spent up to now is 345.0 secs Computing kpt #: 249 total cpu time spent up to now is 347.0 secs Computing kpt #: 250 total cpu time spent up to now is 349.0 secs Computing kpt #: 251 total cpu time spent up to now is 350.7 secs Computing kpt #: 252 total cpu time spent up to now is 352.3 secs Computing kpt #: 253 total cpu time spent up to now is 353.7 secs Computing kpt #: 254 total cpu time spent up to now is 355.3 secs Computing kpt #: 255 total cpu time spent up to now is 357.2 secs Computing kpt #: 256 total cpu time spent up to now is 359.2 secs Computing kpt #: 257 total cpu time spent up to now is 361.2 secs Computing kpt #: 258 total cpu time spent up to now is 362.8 secs Computing kpt #: 259 total cpu time spent up to now is 364.5 secs Computing kpt #: 260 total cpu time spent up to now is 365.7 secs Computing kpt #: 261 total cpu time spent up to now is 366.9 secs Computing kpt #: 262 total cpu time spent up to now is 367.9 secs Computing kpt #: 263 total cpu time spent up to now is 369.5 secs Computing kpt #: 264 total cpu time spent up to now is 371.0 secs Computing kpt #: 265 total cpu time spent up to now is 372.7 secs Computing kpt #: 266 total cpu time spent up to now is 374.3 secs Computing kpt #: 267 total cpu time spent up to now is 375.8 secs Computing kpt #: 268 total cpu time spent up to now is 377.4 secs Computing kpt #: 269 total cpu time spent up to now is 379.0 secs Computing kpt #: 270 total cpu time spent up to now is 380.6 secs Computing kpt #: 271 total cpu time spent up to now is 382.3 secs Computing kpt #: 272 total cpu time spent up to now is 383.9 secs Computing kpt #: 273 total cpu time spent up to now is 385.5 secs Computing kpt #: 274 total cpu time spent up to now is 387.1 secs Computing kpt #: 275 total cpu time spent up to now is 388.8 secs Computing kpt #: 276 total cpu time spent up to now is 390.4 secs Computing kpt #: 277 total cpu time spent up to now is 393.1 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 395.8 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 398.5 secs ethr = 2.08E-08, avg # of iterations = 36.9 total cpu time spent up to now is 398.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8467 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7964 -35.7964 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4219 -6.4219 -3.9853 -3.9853 -3.9826 -3.9826 -3.6537 -3.6537 -1.9037 -1.9037 -0.4210 -0.4210 1.9374 1.9374 1.9399 1.9399 1.9881 1.9881 2.0101 2.0101 2.0149 2.0149 2.9193 2.9193 2.9275 2.9275 5.1274 5.1274 5.1673 5.1673 5.6292 5.6292 6.3753 6.3753 6.4571 6.4571 7.5850 7.5850 8.8011 8.8011 9.0570 9.0570 k = 0.0000 0.0000 0.0205 ( 8471 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4209 -6.4209 -3.9868 -3.9868 -3.9840 -3.9840 -3.6540 -3.6539 -1.9023 -1.9023 -0.4208 -0.4204 1.9116 1.9148 1.9167 1.9207 2.0014 2.0099 2.0161 2.0308 2.0310 2.0328 2.9190 2.9210 2.9287 2.9288 5.1210 5.1226 5.1625 5.1627 5.6252 5.6272 6.3796 6.3800 6.4619 6.4630 7.5915 7.5919 8.7977 8.8026 9.0568 9.0609 k = 0.0000 0.0000 0.0410 ( 8485 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4176 -6.4176 -3.9916 -3.9915 -3.9882 -3.9881 -3.6549 -3.6545 -1.8982 -1.8981 -0.4196 -0.4188 1.8691 1.8729 1.8820 1.8868 2.0132 2.0174 2.0520 2.0639 2.0697 2.0729 2.9179 2.9221 2.9349 2.9353 5.0986 5.1024 5.1535 5.1538 5.6153 5.6191 6.3907 6.3916 6.4794 6.4816 7.6106 7.6115 8.7930 8.8023 9.0602 9.0663 k = 0.0000 0.0000 0.0615 ( 8491 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4122 -6.4122 -3.9997 -3.9995 -3.9948 -3.9946 -3.6562 -3.6558 -1.8913 -1.8913 -0.4177 -0.4165 1.8246 1.8282 1.8477 1.8532 2.0255 2.0270 2.0866 2.0963 2.1138 2.1179 2.9168 2.9226 2.9476 2.9480 5.0562 5.0616 5.1461 5.1468 5.5995 5.6048 6.4042 6.4053 6.5138 6.5167 7.6407 7.6419 8.7883 8.8008 9.0657 9.0713 k = 0.0000 0.0000 0.0820 ( 8495 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4047 -6.4047 -4.0112 -4.0109 -4.0035 -4.0032 -3.6582 -3.6575 -1.8820 -1.8819 -0.4153 -0.4137 1.7802 1.7835 1.8168 1.8227 2.0406 2.0412 2.1141 2.1223 2.1602 2.1646 2.9183 2.9256 2.9661 2.9664 4.9964 5.0029 5.1400 5.1407 5.5778 5.5843 6.4174 6.4184 6.5670 6.5703 7.6792 7.6806 8.7849 8.7996 9.0718 9.0763 k = 0.0000 0.0000 0.1025 ( 8505 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5184 -35.5183 -35.4968 -35.4968 -35.4953 -35.4953 -6.3950 -6.3949 -4.0258 -4.0255 -4.0143 -4.0140 -3.6607 -3.6599 -1.8704 -1.8702 -0.4127 -0.4107 1.7371 1.7400 1.7903 1.7965 2.0574 2.0605 2.1328 2.1390 2.2074 2.2118 2.9254 2.9338 2.9900 2.9901 4.9228 4.9302 5.1337 5.1344 5.5503 5.5578 6.4303 6.4310 6.6373 6.6409 7.7230 7.7243 8.7841 8.7998 9.0785 9.0819 k = 0.0000 0.0000 0.1230 ( 8513 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5184 -35.5183 -35.4968 -35.4968 -35.4953 -35.4953 -6.3831 -6.3831 -4.0433 -4.0428 -4.0273 -4.0268 -3.6640 -3.6631 -1.8566 -1.8564 -0.4101 -0.4079 1.6957 1.6983 1.7689 1.7755 2.0754 2.0827 2.1431 2.1453 2.2544 2.2587 2.9405 2.9496 3.0192 3.0192 4.8384 4.8465 5.1267 5.1274 5.5170 5.5253 6.4437 6.4441 6.7226 6.7265 7.7689 7.7697 8.7870 8.8027 9.0858 9.0885 k = 0.0000 0.0000 0.1435 ( 8509 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7947 -35.7947 -35.5204 -35.5204 -35.5184 -35.5183 -35.4968 -35.4967 -35.4953 -35.4953 -6.3691 -6.3691 -4.0632 -4.0627 -4.0421 -4.0416 -3.6680 -3.6670 -1.8410 -1.8408 -0.4081 -0.4055 1.6567 1.6589 1.7533 1.7601 2.0879 2.1030 2.1452 2.1511 2.3008 2.3049 2.9653 2.9747 3.0533 3.0535 4.7456 4.7544 5.1187 5.1195 5.4783 5.4872 6.4582 6.4584 6.8208 6.8249 7.8136 7.8138 8.7943 8.8092 9.0940 9.0962 k = 0.0000 0.0000 0.1640 ( 8503 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5203 -35.5184 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.3531 -6.3531 -4.0855 -4.0849 -4.0587 -4.0582 -3.6730 -3.6717 -1.8239 -1.8236 -0.4070 -0.4041 1.6202 1.6221 1.7439 1.7509 2.0830 2.1011 2.1597 2.1693 2.3462 2.3501 3.0000 3.0092 3.0920 3.0924 4.6469 4.6561 5.1098 5.1105 5.4342 5.4436 6.4741 6.4742 6.9301 6.9345 7.8537 7.8545 8.8065 8.8197 9.1033 9.1051 k = 0.0000 0.0000 0.1845 ( 8501 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5203 -35.5184 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.3349 -6.3349 -4.1098 -4.1092 -4.0769 -4.0763 -3.6789 -3.6775 -1.8055 -1.8051 -0.4071 -0.4041 1.5866 1.5881 1.7411 1.7482 2.0600 2.0751 2.1923 2.1998 2.3903 2.3941 3.0437 3.0526 3.1346 3.1353 4.5441 4.5540 5.0997 5.1006 5.3850 5.3948 6.4914 6.4917 7.0488 7.0534 7.8874 7.8896 8.8232 8.8343 9.1137 9.1153 k = 0.0000 0.0000 0.2050 ( 8505 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5203 -35.5184 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.3147 -6.3146 -4.1358 -4.1352 -4.0964 -4.0958 -3.6859 -3.6844 -1.7861 -1.7855 -0.4090 -0.4057 1.5561 1.5571 1.7451 1.7523 2.0257 2.0381 2.2322 2.2380 2.4333 2.4369 3.0950 3.1034 3.1803 3.1814 4.4394 4.4499 5.0887 5.0896 5.3311 5.3411 6.5103 6.5109 7.1752 7.1801 7.9137 7.9175 8.8439 8.8523 9.1254 9.1267 k = 0.0000 0.0000 0.2255 ( 8491 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5203 -35.5185 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.2924 -6.2924 -4.1634 -4.1627 -4.1171 -4.1164 -3.6942 -3.6926 -1.7658 -1.7652 -0.4128 -0.4093 1.5285 1.5290 1.7561 1.7634 1.9845 1.9947 2.2771 2.2820 2.4750 2.4785 3.1524 3.1602 3.2276 3.2293 4.3350 4.3463 5.0765 5.0775 5.2729 5.2831 6.5308 6.5316 7.3078 7.3130 7.9322 7.9376 8.8672 8.8729 9.1383 9.1396 k = 0.0000 0.0000 0.2460 ( 8505 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7963 -35.7948 -35.7947 -35.5204 -35.5203 -35.5185 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.2680 -6.2680 -4.1921 -4.1914 -4.1388 -4.1380 -3.7038 -3.7021 -1.7451 -1.7444 -0.4187 -0.4152 1.5038 1.5038 1.7742 1.7815 1.9395 1.9477 2.3265 2.3307 2.5158 2.5191 3.2143 3.2215 3.2745 3.2769 4.2334 4.2456 5.0632 5.0645 5.2108 5.2210 6.5530 6.5540 7.4449 7.4505 7.9430 7.9500 8.8918 8.8947 9.1527 9.1538 k = 0.0000 0.0000 0.2665 ( 8503 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7963 -35.7949 -35.7947 -35.5204 -35.5202 -35.5185 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.2417 -6.2417 -4.2219 -4.2212 -4.1612 -4.1604 -3.7149 -3.7132 -1.7239 -1.7231 -0.4271 -0.4235 1.4810 1.4818 1.7991 1.8065 1.8931 1.8995 2.3801 2.3839 2.5558 2.5590 3.2794 3.2860 3.3178 3.3211 4.1382 4.1515 5.0483 5.0503 5.1456 5.1555 6.5767 6.5779 7.5849 7.5909 7.9467 7.9552 8.9162 8.9165 9.1685 9.1697 k = 0.0000 0.0000 0.2870 ( 8517 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7963 -35.7949 -35.7948 -35.5204 -35.5202 -35.5186 -35.5184 -35.4967 -35.4967 -35.4954 -35.4954 -6.2135 -6.2135 -4.2525 -4.2517 -4.1841 -4.1833 -3.7277 -3.7258 -1.7026 -1.7017 -0.4379 -0.4343 1.4603 1.4620 1.8306 1.8379 1.8476 1.8522 2.4378 2.4413 2.5951 2.5983 3.3465 3.3514 3.3527 3.3583 4.0546 4.0691 5.0298 5.0341 5.0802 5.0879 6.6018 6.6033 7.7259 7.7324 7.9439 7.9537 8.9370 8.9391 9.1860 9.1873 k = 0.0000 0.0000 0.3075 ( 8515 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7963 -35.7949 -35.7948 -35.5203 -35.5202 -35.5186 -35.5184 -35.4966 -35.4966 -35.4954 -35.4954 -6.1833 -6.1833 -4.2836 -4.2828 -4.2074 -4.2066 -3.7422 -3.7403 -1.6811 -1.6801 -0.4510 -0.4475 1.4409 1.4436 1.8050 1.8076 1.8683 1.8755 2.4995 2.5028 2.6341 2.6372 3.3720 3.3769 3.4149 3.4210 3.9900 4.0055 4.9901 5.0030 5.0319 5.0326 6.6283 6.6300 7.8655 7.8725 7.9356 7.9464 8.9555 8.9595 9.2053 9.2068 k = 0.0000 0.0000 0.3280 ( 8499 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7964 -35.7962 -35.7949 -35.7948 -35.5203 -35.5201 -35.5186 -35.5185 -35.4966 -35.4966 -35.4954 -35.4954 -6.1512 -6.1512 -4.3151 -4.3143 -4.2308 -4.2300 -3.7586 -3.7566 -1.6595 -1.6585 -0.4666 -0.4631 1.4218 1.4256 1.7673 1.7681 1.9112 1.9183 2.5648 2.5681 2.6728 2.6760 3.3685 3.3736 3.4834 3.4889 3.9528 3.9688 4.9217 4.9352 5.0100 5.0111 6.6561 6.6580 7.9209 7.9328 8.0025 8.0100 8.9712 8.9768 9.2264 9.2284 k = 0.0000 0.0000 0.3485 ( 8497 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7962 -35.7950 -35.7948 -35.5203 -35.5201 -35.5186 -35.5185 -35.4966 -35.4966 -35.4954 -35.4954 -6.1173 -6.1173 -4.3468 -4.3461 -4.2542 -4.2534 -3.7769 -3.7749 -1.6380 -1.6369 -0.4843 -0.4809 1.4017 1.4068 1.7356 1.7366 1.9584 1.9655 2.6337 2.6372 2.7114 2.7147 3.3387 3.3429 3.5512 3.5562 3.9471 3.9623 4.8470 4.8603 4.9934 4.9940 6.6850 6.6872 7.9024 7.9150 8.1319 8.1400 8.9837 8.9905 9.2492 9.2522 k = 0.0000 0.0000 0.3690 ( 8499 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7962 -35.7950 -35.7948 -35.5203 -35.5201 -35.5187 -35.5185 -35.4966 -35.4966 -35.4954 -35.4954 -6.0816 -6.0815 -4.3786 -4.3779 -4.2774 -4.2766 -3.7973 -3.7952 -1.6165 -1.6153 -0.5040 -0.5007 1.3798 1.3861 1.7118 1.7146 2.0087 2.0157 2.7055 2.7097 2.7499 2.7539 3.2872 3.2897 3.6174 3.6221 3.9683 3.9821 4.7706 4.7839 4.9776 4.9781 6.7149 6.7173 7.8791 7.8923 8.2513 8.2601 8.9926 9.0002 9.2710 9.2784 k = 0.0000 0.0000 0.3895 ( 8507 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7962 -35.7950 -35.7949 -35.5203 -35.5201 -35.5187 -35.5185 -35.4965 -35.4965 -35.4954 -35.4954 -6.0441 -6.0441 -4.4104 -4.4097 -4.3002 -4.2994 -3.8198 -3.8177 -1.5949 -1.5936 -0.5256 -0.5224 1.3556 1.3628 1.6979 1.7021 2.0603 2.0671 2.7760 2.7835 2.7903 2.7972 3.2234 3.2242 3.6813 3.6856 4.0072 4.0195 4.6943 4.7075 4.9627 4.9630 6.7455 6.7481 7.8513 7.8650 8.3564 8.3659 8.9978 9.0059 9.2658 9.2742 k = 0.0000 0.0000 0.4100 ( 8527 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7962 -35.7951 -35.7949 -35.5202 -35.5200 -35.5188 -35.5186 -35.4965 -35.4965 -35.4955 -35.4955 -6.0050 -6.0049 -4.4420 -4.4413 -4.3225 -4.3217 -3.8444 -3.8423 -1.5732 -1.5719 -0.5487 -0.5457 1.3293 1.3371 1.6941 1.6993 2.1107 2.1173 2.8237 2.8248 2.8654 2.8655 3.1558 3.1568 3.7419 3.7459 4.0553 4.0660 4.6201 4.6330 4.9488 4.9490 6.7766 6.7795 7.8191 7.8330 8.4425 8.4527 8.9991 9.0071 9.2407 9.2473 k = 0.0000 0.0000 0.4305 ( 8531 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7961 -35.7951 -35.7949 -35.5202 -35.5200 -35.5188 -35.5186 -35.4965 -35.4965 -35.4955 -35.4955 -5.9642 -5.9641 -4.4734 -4.4728 -4.3440 -4.3432 -3.8711 -3.8691 -1.5514 -1.5501 -0.5733 -0.5703 1.3019 1.3100 1.6998 1.7056 2.1565 2.1627 2.8595 2.8601 2.9460 2.9473 3.0935 3.0964 3.7982 3.8020 4.1051 4.1138 4.5512 4.5635 4.9366 4.9366 6.8079 6.8112 7.7824 7.7965 8.5048 8.5154 8.9958 9.0033 9.2102 9.2165 k = 0.0000 0.0000 0.4510 ( 8543 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7961 -35.7952 -35.7950 -35.5202 -35.5200 -35.5189 -35.5187 -35.4965 -35.4965 -35.4956 -35.4956 -5.9219 -5.9218 -4.5045 -4.5039 -4.3647 -4.3639 -3.8999 -3.8979 -1.5294 -1.5280 -0.5990 -0.5962 1.2744 1.2826 1.7139 1.7200 2.1929 2.1986 2.8883 2.8901 3.0298 3.0310 3.0479 3.0525 3.8494 3.8528 4.1481 4.1538 4.4948 4.5051 4.9265 4.9265 6.8391 6.8427 7.7411 7.7554 8.5390 8.5496 8.9869 8.9932 9.1769 9.1837 k = 0.0000 0.0000 0.4715 ( 8545 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7961 -35.7952 -35.7950 -35.5202 -35.5199 -35.5189 -35.5187 -35.4965 -35.4965 -35.4956 -35.4956 -5.8781 -5.8780 -4.5354 -4.5348 -4.3843 -4.3836 -3.9307 -3.9287 -1.5071 -1.5057 -0.6256 -0.6230 1.2480 1.2561 1.7354 1.7417 2.2142 2.2193 2.9058 2.9091 3.0284 3.0360 3.1164 3.1188 3.8944 3.8975 4.1713 4.1716 4.4638 4.4696 4.9192 4.9193 6.8698 6.8737 7.6952 7.7095 8.5423 8.5525 8.9704 8.9747 9.1437 9.1520 k = 0.0000 0.0000 0.4920 ( 8565 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7960 -35.7953 -35.7950 -35.5201 -35.5199 -35.5190 -35.5187 -35.4964 -35.4964 -35.4956 -35.4956 -5.8329 -5.8328 -4.5659 -4.5654 -4.4029 -4.4021 -3.9633 -3.9614 -1.4844 -1.4830 -0.6531 -0.6506 1.2236 1.2315 1.7634 1.7697 2.2155 2.2196 2.9163 2.9201 3.0401 3.0484 3.2045 3.2073 3.9322 3.9351 4.1555 4.1618 4.4698 4.4698 4.9153 4.9154 6.8992 6.9035 7.6445 7.6588 8.5153 8.5247 8.9435 8.9452 9.1147 9.1250 k = 0.0000 0.0000 0.5125 ( 8551 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7960 -35.7953 -35.7951 -35.5201 -35.5199 -35.5190 -35.5188 -35.4964 -35.4964 -35.4956 -35.4956 -5.7865 -5.7864 -4.5962 -4.5958 -4.4201 -4.4194 -3.9977 -3.9958 -1.4613 -1.4599 -0.6811 -0.6788 1.2019 1.2096 1.7971 1.8033 2.1949 2.1979 2.9342 2.9380 3.0674 3.0757 3.2940 3.2972 3.9620 3.9648 4.1137 4.1244 4.5013 4.5051 4.9153 4.9155 6.9268 6.9314 7.5892 7.6034 8.4627 8.4712 8.9042 8.9047 9.0925 9.1046 k = 0.0000 0.0000 0.5330 ( 8551 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7960 -35.7953 -35.7951 -35.5201 -35.5198 -35.5190 -35.5188 -35.4964 -35.4964 -35.4957 -35.4957 -5.7388 -5.7387 -4.6263 -4.6259 -4.4359 -4.4353 -4.0334 -4.0317 -1.4377 -1.4364 -0.7097 -0.7075 1.1836 1.1910 1.8358 1.8420 2.1550 2.1569 2.9660 2.9697 3.0989 3.1073 3.3841 3.3878 3.9826 3.9859 4.0627 4.0754 4.5490 4.5547 4.9195 4.9198 6.9515 6.9566 7.5294 7.5435 8.3920 8.3997 8.8532 8.8554 9.0772 9.0905 k = 0.0000 0.0000 0.5535 ( 8554 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7959 -35.7953 -35.7951 -35.5200 -35.5198 -35.5191 -35.5188 -35.4963 -35.4963 -35.4957 -35.4957 -5.6901 -5.6900 -4.6564 -4.6560 -4.4503 -4.4496 -4.0704 -4.0687 -1.4136 -1.4124 -0.7386 -0.7366 1.1690 1.1761 1.8792 1.8852 2.1010 2.1019 3.0095 3.0132 3.1287 3.1371 3.4741 3.4784 3.9889 3.9978 4.0186 4.0271 4.6032 4.6099 4.9278 4.9281 6.9723 6.9778 7.4654 7.4793 8.3115 8.3185 8.7953 8.7986 9.0671 9.0811 k = 0.0000 0.0000 0.5740 ( 8554 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7959 -35.7954 -35.7951 -35.5200 -35.5198 -35.5191 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.6405 -5.6403 -4.6864 -4.6861 -4.4629 -4.4623 -4.1081 -4.1065 -1.3890 -1.3878 -0.7678 -0.7659 1.1584 1.1653 1.9268 1.9326 2.0380 2.0380 3.0602 3.0635 3.1528 3.1610 3.5630 3.5683 3.9617 3.9827 4.0051 4.0082 4.6591 4.6662 4.9398 4.9400 6.9875 6.9936 7.3978 7.4115 8.2287 8.2352 8.7331 8.7372 9.0609 9.0752 k = 0.0000 0.0000 0.5945 ( 8554 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7959 -35.7954 -35.7952 -35.5200 -35.5197 -35.5192 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5900 -5.5898 -4.7167 -4.7164 -4.4738 -4.4732 -4.1464 -4.1449 -1.3639 -1.3627 -0.7971 -0.7953 1.1522 1.1588 1.9692 1.9693 1.9789 1.9840 3.1129 3.1145 3.1694 3.1757 3.6496 3.6560 3.9345 3.9555 4.0011 4.0044 4.7141 4.7216 4.9547 4.9548 6.9956 7.0022 7.3273 7.3407 8.1499 8.1560 8.6686 8.6732 9.0574 9.0718 k = 0.0000 0.0000 0.6150 ( 8550 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7958 -35.7954 -35.7952 -35.5199 -35.5197 -35.5192 -35.5189 -35.4963 -35.4963 -35.4958 -35.4958 -5.5389 -5.5387 -4.7474 -4.7472 -4.4827 -4.4821 -4.1846 -4.1832 -1.3383 -1.3371 -0.8265 -0.8249 1.1505 1.1569 1.8984 1.8995 2.0333 2.0386 3.1440 3.1501 3.1921 3.1942 3.7317 3.7400 3.9237 3.9446 3.9921 3.9967 4.7670 4.7746 4.9715 4.9716 6.9949 7.0021 7.2549 7.2681 8.0804 8.0861 8.6032 8.6082 9.0562 9.0707 k = 0.0000 0.0000 0.6355 ( 8554 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7958 -35.7955 -35.7952 -35.5199 -35.5196 -35.5192 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.4873 -5.4871 -4.7788 -4.7787 -4.4896 -4.4891 -4.2224 -4.2211 -1.3121 -1.3110 -0.8560 -0.8544 1.1535 1.1596 1.8273 1.8290 2.0915 2.0966 3.1322 3.1398 3.2389 3.2436 3.8047 3.8160 3.9315 3.9520 3.9809 3.9882 4.8168 4.8246 4.9890 4.9894 6.9843 6.9922 7.1820 7.1950 8.0242 8.0298 8.5379 8.5431 9.0570 9.0714 k = 0.0000 0.0000 0.6560 ( 8546 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7957 -35.7955 -35.7953 -35.5198 -35.5196 -35.5193 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.4355 -5.4352 -4.8112 -4.8111 -4.4943 -4.4938 -4.2593 -4.2581 -1.2855 -1.2845 -0.8855 -0.8840 1.1613 1.1672 1.7573 1.7594 2.1526 2.1575 3.0988 3.1049 3.2933 3.2980 3.8560 3.8710 3.9567 3.9757 3.9803 3.9902 4.8629 4.8707 5.0062 5.0070 6.9638 6.9723 7.1100 7.1228 7.9841 7.9895 8.4735 8.4789 9.0597 9.0739 k = 0.0000 0.0000 0.6765 ( 8546 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7957 -35.7956 -35.7953 -35.5198 -35.5195 -35.5193 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3836 -5.3833 -4.8448 -4.8448 -4.4967 -4.4961 -4.2946 -4.2936 -1.2585 -1.2575 -0.9149 -0.9136 1.1739 1.1795 1.6893 1.6918 2.2165 2.2211 3.0513 3.0557 3.3479 3.3524 3.8673 3.8802 3.9955 4.0109 4.0146 4.0190 4.9046 4.9125 5.0222 5.0234 6.9349 6.9440 7.0407 7.0534 7.9609 7.9661 8.4104 8.4159 9.0640 9.0781 k = 0.0000 0.0000 0.6970 ( 8538 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7956 -35.7953 -35.5198 -35.5195 -35.5194 -35.5191 -35.4961 -35.4961 -35.4959 -35.4958 -5.3319 -5.3316 -4.8800 -4.8800 -4.4965 -4.4960 -4.3281 -4.3271 -1.2311 -1.2301 -0.9443 -0.9430 1.1914 1.1968 1.6240 1.6268 2.2827 2.2870 2.9937 2.9966 3.4017 3.4060 3.8493 3.8584 4.0391 4.0532 4.0668 4.0673 4.9418 4.9495 5.0359 5.0378 6.9008 6.9104 6.9762 6.9886 7.9536 7.9588 8.3491 8.3548 9.0700 9.0838 k = 0.0000 0.0000 0.7175 ( 8538 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7956 -35.7956 -35.7954 -35.5197 -35.5195 -35.5194 -35.5191 -35.4961 -35.4961 -35.4959 -35.4959 -5.2806 -5.2803 -4.9170 -4.9169 -4.4937 -4.4932 -4.3590 -4.3582 -1.2034 -1.2024 -0.9736 -0.9724 1.2138 1.2190 1.5618 1.5649 2.3512 2.3551 2.9293 2.9308 3.4544 3.4586 3.8188 3.8259 4.0833 4.0967 4.1143 4.1177 4.9739 4.9815 5.0468 5.0493 6.8657 6.8757 6.9185 6.9307 7.9603 7.9656 8.2899 8.2957 9.0774 9.0909 k = 0.0000 0.0000 0.7380 ( 8538 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7956 -35.7956 -35.7954 -35.5197 -35.5194 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.2300 -5.2297 -4.9560 -4.9559 -4.4881 -4.4875 -4.3872 -4.3864 -1.1753 -1.1743 -1.0028 -1.0017 1.2411 1.2461 1.5032 1.5066 2.4215 2.4251 2.8605 2.8609 3.5059 3.5101 3.7822 3.7880 4.1245 4.1371 4.1536 4.1589 5.0008 5.0082 5.0540 5.0574 6.8339 6.8444 6.8696 6.8817 7.9787 7.9840 8.2333 8.2391 9.0861 9.0993 k = 0.0000 0.0000 0.7585 ( 8536 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4961 -35.4960 -35.4959 -35.4959 -5.1803 -5.1800 -4.9971 -4.9969 -4.4794 -4.4789 -4.4123 -4.4116 -1.1470 -1.1460 -1.0320 -1.0309 1.2733 1.2780 1.4485 1.4522 2.4934 2.4966 2.7884 2.7890 3.5562 3.5604 3.7416 3.7468 4.1589 4.1707 4.1812 4.1883 5.0225 5.0295 5.0572 5.0614 6.8094 6.8203 6.8316 6.8435 8.0064 8.0119 8.1796 8.1853 9.0959 9.1087 k = 0.0000 0.0000 0.7790 ( 8554 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1320 -5.1317 -5.0402 -5.0399 -4.4676 -4.4670 -4.4341 -4.4335 -1.1185 -1.1175 -1.0610 -1.0599 1.3102 1.3147 1.3980 1.4020 2.5665 2.5692 2.7146 2.7160 3.6052 3.6095 3.6982 3.7029 4.1836 4.1945 4.1957 4.2042 5.0388 5.0453 5.0560 5.0610 6.7954 6.8061 6.8066 6.8178 8.0417 8.0473 8.1293 8.1350 9.1067 9.1189 k = 0.0000 0.0000 0.7995 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0853 -5.0853 -5.0848 -5.0848 -4.4526 -4.4526 -4.4519 -4.4519 -1.0898 -1.0898 -1.0888 -1.0888 1.3518 1.3518 1.3561 1.3561 2.6404 2.6404 2.6425 2.6425 3.6526 3.6526 3.6571 3.6571 4.1963 4.1963 4.2061 4.2061 5.0499 5.0499 5.0557 5.0557 6.7940 6.7940 6.8054 6.8054 8.0831 8.0831 8.0887 8.0887 9.1181 9.1181 k = 0.0000 0.0000 0.7995 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0853 -5.0853 -5.0848 -5.0848 -4.4526 -4.4526 -4.4519 -4.4519 -1.0898 -1.0898 -1.0888 -1.0888 1.3518 1.3518 1.3561 1.3561 2.6404 2.6404 2.6425 2.6425 3.6526 3.6526 3.6571 3.6571 4.1963 4.1963 4.2061 4.2061 5.0499 5.0499 5.0557 5.0557 6.7940 6.7940 6.8054 6.8054 8.0831 8.0831 8.0887 8.0887 9.1181 9.1181 k =-0.0124 0.0154 0.7995 ( 8552 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0852 -5.0852 -5.0848 -5.0848 -4.4532 -4.4532 -4.4525 -4.4525 -1.0878 -1.0878 -1.0867 -1.0867 1.3516 1.3516 1.3559 1.3559 2.6410 2.6410 2.6430 2.6430 3.6497 3.6497 3.6542 3.6542 4.1955 4.1955 4.2053 4.2053 5.0477 5.0477 5.0535 5.0535 6.7979 6.7979 6.8093 6.8093 8.0875 8.0875 8.0932 8.0932 9.1191 9.1191 k =-0.0247 0.0308 0.7995 ( 8544 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0850 -5.0850 -5.0845 -5.0845 -4.4550 -4.4550 -4.4543 -4.4543 -1.0817 -1.0817 -1.0806 -1.0806 1.3510 1.3510 1.3552 1.3552 2.6425 2.6426 2.6447 2.6447 3.6411 3.6411 3.6456 3.6456 4.1929 4.1929 4.2029 4.2029 5.0410 5.0410 5.0468 5.0469 6.8095 6.8095 6.8209 6.8209 8.1008 8.1008 8.1065 8.1065 9.1218 9.1218 k =-0.0371 0.0462 0.7995 ( 8544 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0846 -5.0846 -5.0842 -5.0842 -4.4579 -4.4579 -4.4572 -4.4571 -1.0716 -1.0716 -1.0705 -1.0705 1.3499 1.3499 1.3540 1.3540 2.6452 2.6452 2.6473 2.6474 3.6271 3.6272 3.6316 3.6316 4.1888 4.1888 4.1991 4.1991 5.0299 5.0300 5.0359 5.0359 6.8283 6.8283 6.8397 6.8397 8.1227 8.1227 8.1283 8.1283 9.1259 9.1259 k =-0.0494 0.0617 0.7995 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0843 -5.0843 -5.0839 -5.0839 -4.4617 -4.4617 -4.4610 -4.4609 -1.0578 -1.0578 -1.0567 -1.0567 1.3485 1.3485 1.3525 1.3525 2.6489 2.6489 2.6511 2.6512 3.6083 3.6083 3.6127 3.6127 4.1831 4.1831 4.1938 4.1938 5.0148 5.0148 5.0209 5.0209 6.8538 6.8538 6.8651 6.8651 8.1527 8.1527 8.1584 8.1584 9.1307 9.1307 k =-0.0618 0.0771 0.7995 ( 8514 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0841 -5.0841 -5.0837 -5.0837 -4.4663 -4.4662 -4.4655 -4.4655 -1.0405 -1.0405 -1.0394 -1.0394 1.3468 1.3468 1.3507 1.3507 2.6535 2.6536 2.6559 2.6560 3.5851 3.5852 3.5896 3.5896 4.1761 4.1761 4.1871 4.1871 4.9958 4.9958 5.0020 5.0021 6.8852 6.8852 6.8964 6.8964 8.1904 8.1904 8.1961 8.1961 9.1350 9.1350 k =-0.0741 0.0925 0.7995 ( 8510 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0841 -5.0841 -5.0837 -5.0837 -4.4712 -4.4712 -4.4705 -4.4705 -1.0201 -1.0201 -1.0189 -1.0189 1.3449 1.3449 1.3486 1.3486 2.6592 2.6593 2.6617 2.6618 3.5585 3.5585 3.5630 3.5630 4.1678 4.1678 4.1793 4.1793 4.9733 4.9733 4.9797 4.9797 6.9214 6.9214 6.9325 6.9325 8.2349 8.2349 8.2406 8.2406 9.1373 9.1373 k =-0.0865 0.1079 0.7995 ( 8512 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0845 -5.0845 -5.0841 -5.0841 -4.4764 -4.4764 -4.4756 -4.4756 -0.9969 -0.9969 -0.9957 -0.9957 1.3430 1.3430 1.3465 1.3465 2.6659 2.6660 2.6685 2.6686 3.5292 3.5292 3.5337 3.5338 4.1584 4.1584 4.1704 4.1704 4.9476 4.9476 4.9542 4.9543 6.9613 6.9613 6.9724 6.9724 8.2852 8.2853 8.2911 8.2911 9.1356 9.1356 k =-0.0988 0.1233 0.7995 ( 8508 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0854 -5.0854 -5.0851 -5.0851 -4.4813 -4.4813 -4.4805 -4.4805 -0.9715 -0.9715 -0.9703 -0.9703 1.3413 1.3413 1.3445 1.3445 2.6734 2.6735 2.6762 2.6763 3.4980 3.4981 3.5027 3.5028 4.1479 4.1479 4.1605 4.1605 4.9191 4.9192 4.9260 4.9260 7.0039 7.0039 7.0149 7.0149 8.3402 8.3402 8.3462 8.3462 9.1273 9.1273 k =-0.1112 0.1387 0.7995 ( 8518 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0872 -5.0872 -5.0869 -5.0868 -4.4857 -4.4857 -4.4848 -4.4848 -0.9444 -0.9444 -0.9431 -0.9431 1.3399 1.3399 1.3429 1.3429 2.6819 2.6820 2.6849 2.6850 3.4659 3.4660 3.4708 3.4708 4.1366 4.1366 4.1497 4.1497 4.8883 4.8884 4.8954 4.8955 7.0478 7.0478 7.0587 7.0587 8.3981 8.3981 8.4043 8.4043 9.1103 9.1103 k =-0.1235 0.1541 0.7995 ( 8530 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0900 -5.0899 -5.0896 -5.0896 -4.4891 -4.4891 -4.4883 -4.4883 -0.9162 -0.9162 -0.9149 -0.9149 1.3392 1.3392 1.3420 1.3420 2.6911 2.6913 2.6943 2.6944 3.4337 3.4337 3.4387 3.4387 4.1245 4.1245 4.1382 4.1382 4.8555 4.8556 4.8628 4.8629 7.0919 7.0919 7.1028 7.1028 8.4566 8.4566 8.4631 8.4631 9.0834 9.0834 k =-0.1359 0.1695 0.7995 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0939 -5.0939 -5.0936 -5.0935 -4.4913 -4.4912 -4.4904 -4.4904 -0.8876 -0.8876 -0.8861 -0.8861 1.3396 1.3396 1.3422 1.3422 2.7012 2.7013 2.7046 2.7047 3.4020 3.4021 3.4072 3.4072 4.1117 4.1117 4.1260 4.1260 4.8211 4.8212 4.8287 4.8288 7.1349 7.1349 7.1457 7.1457 8.5119 8.5119 8.5190 8.5190 9.0483 9.0483 k =-0.1482 0.1850 0.7995 ( 8530 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0992 -5.0991 -5.0989 -5.0988 -4.4918 -4.4918 -4.4909 -4.4909 -0.8592 -0.8592 -0.8577 -0.8577 1.3416 1.3416 1.3439 1.3439 2.7120 2.7121 2.7156 2.7157 3.3717 3.3717 3.3770 3.3771 4.0982 4.0982 4.1132 4.1132 4.7855 4.7856 4.7935 4.7935 7.1755 7.1755 7.1863 7.1863 8.5581 8.5582 8.5659 8.5659 9.0106 9.0106 k =-0.1606 0.2004 0.7995 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1059 -5.1058 -5.1056 -5.1055 -4.4904 -4.4904 -4.4896 -4.4895 -0.8318 -0.8318 -0.8302 -0.8302 1.3455 1.3455 1.3477 1.3477 2.7234 2.7235 2.7272 2.7274 3.3431 3.3431 3.3487 3.3487 4.0843 4.0843 4.0999 4.0999 4.7491 4.7492 4.7574 4.7574 7.2126 7.2126 7.2232 7.2232 8.5859 8.5859 8.5942 8.5942 8.9804 8.9804 k =-0.1606 0.2004 0.7995 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1059 -5.1058 -5.1056 -5.1055 -4.4904 -4.4904 -4.4896 -4.4895 -0.8318 -0.8318 -0.8302 -0.8302 1.3455 1.3455 1.3477 1.3477 2.7234 2.7235 2.7272 2.7274 3.3431 3.3431 3.3487 3.3487 4.0843 4.0843 4.0999 4.0999 4.7491 4.7492 4.7574 4.7574 7.2126 7.2126 7.2232 7.2232 8.5859 8.5859 8.5942 8.5942 8.9804 8.9804 k =-0.1695 0.2115 0.7852 ( 8526 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1299 -5.1298 -5.0941 -5.0939 -4.5104 -4.5096 -4.4644 -4.4635 -0.8393 -0.8376 -0.7867 -0.7851 1.3316 1.3335 1.3706 1.3724 2.6860 2.6892 2.7784 2.7812 3.2924 3.2982 3.3547 3.3603 4.0543 4.0584 4.0980 4.1007 4.7071 4.7100 4.7475 4.7506 7.2310 7.2419 7.2458 7.2561 8.5674 8.5753 8.6087 8.6173 8.9424 8.9531 k =-0.1784 0.2227 0.7709 ( 8526 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7955 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4959 -5.1532 -5.1530 -5.0863 -5.0861 -4.5296 -4.5289 -4.4343 -4.4333 -0.8490 -0.8472 -0.7415 -0.7399 1.3233 1.3251 1.3969 1.3985 2.6489 2.6524 2.8306 2.8333 3.2431 3.2490 3.3663 3.3719 4.0106 4.0151 4.0969 4.0988 4.6664 4.6692 4.7483 4.7515 7.2481 7.2592 7.2816 7.2914 8.5349 8.5420 8.6091 8.6176 8.9214 8.9303 k =-0.1874 0.2338 0.7567 ( 8527 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4959 -35.4959 -5.1754 -5.1753 -5.0817 -5.0815 -4.5481 -4.5474 -4.4008 -4.3997 -0.8611 -0.8591 -0.6965 -0.6948 1.3207 1.3226 1.4244 1.4260 2.6127 2.6164 2.8792 2.8817 3.1959 3.2016 3.3777 3.3833 3.9588 3.9634 4.0887 4.0894 4.6313 4.6339 4.7542 4.7575 7.2627 7.2740 7.3192 7.3286 8.4862 8.4924 8.5949 8.6032 8.9143 8.9213 k =-0.1963 0.2449 0.7424 ( 8519 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4961 -35.4960 -35.4959 -35.4959 -5.1967 -5.1966 -5.0800 -5.0797 -4.5656 -4.5649 -4.3646 -4.3635 -0.8754 -0.8733 -0.6519 -0.6503 1.3241 1.3260 1.4533 1.4550 2.5774 2.5813 2.9224 2.9246 3.1517 3.1570 3.3884 3.3940 3.9021 3.9068 4.0716 4.0729 4.6035 4.6058 4.7640 4.7672 7.2737 7.2851 7.3580 7.3669 8.4247 8.4301 8.5748 8.5827 8.9134 8.9192 k =-0.2052 0.2561 0.7281 ( 8514 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4961 -35.4960 -35.4959 -35.4959 -5.2169 -5.2167 -5.0804 -5.0800 -4.5822 -4.5816 -4.3266 -4.3254 -0.8919 -0.8897 -0.6081 -0.6064 1.3332 1.3353 1.4836 1.4855 2.5431 2.5471 2.9571 2.9584 3.1127 3.1169 3.3977 3.4034 3.8437 3.8485 4.0468 4.0498 4.5836 4.5857 4.7765 4.7796 7.2801 7.2915 7.3974 7.4058 8.3564 8.3612 8.5528 8.5603 8.9132 8.9187 k =-0.2142 0.2672 0.7138 ( 8516 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5197 -35.5194 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.2359 -5.2358 -5.0824 -5.0821 -4.5979 -4.5973 -4.2874 -4.2861 -0.9104 -0.9081 -0.5654 -0.5637 1.3479 1.3502 1.5155 1.5176 2.5095 2.5136 2.9759 2.9776 3.0835 3.0854 3.4044 3.4105 3.7869 3.7922 4.0169 4.0217 4.5710 4.5731 4.7906 4.7936 7.2809 7.2922 7.4369 7.4448 8.2865 8.2908 8.5302 8.5373 8.9114 8.9172 k =-0.2231 0.2784 0.6995 ( 8517 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5197 -35.5195 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.2537 -5.2536 -5.0857 -5.0853 -4.6126 -4.6120 -4.2478 -4.2464 -0.9306 -0.9281 -0.5241 -0.5224 1.3679 1.3705 1.5489 1.5512 2.4768 2.4809 2.9697 2.9751 3.0670 3.0709 3.4072 3.4144 3.7352 3.7417 3.9852 3.9919 4.5645 4.5665 4.8055 4.8085 7.2754 7.2866 7.4762 7.4836 8.2184 8.2222 8.5078 8.5144 8.9072 8.9138 k =-0.2320 0.2895 0.6852 ( 8523 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7956 -35.7954 -35.5197 -35.5195 -35.5193 -35.5191 -35.4961 -35.4961 -35.4959 -35.4959 -5.2703 -5.2701 -5.0897 -5.0893 -4.6262 -4.6257 -4.2085 -4.2070 -0.9521 -0.9494 -0.4845 -0.4828 1.3928 1.3958 1.5840 1.5865 2.4447 2.4487 2.9457 2.9530 3.0580 3.0640 3.4049 3.4136 3.6923 3.7005 3.9554 3.9640 4.5623 4.5643 4.8207 4.8236 7.2636 7.2745 7.5148 7.5216 8.1541 8.1574 8.4860 8.4922 8.9015 8.9089 k =-0.2410 0.3007 0.6710 ( 8536 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7956 -35.7954 -35.5197 -35.5195 -35.5193 -35.5191 -35.4961 -35.4961 -35.4959 -35.4959 -5.2855 -5.2854 -5.0943 -5.0938 -4.6388 -4.6383 -4.1700 -4.1685 -0.9744 -0.9715 -0.4470 -0.4454 1.4220 1.4254 1.6208 1.6236 2.4131 2.4170 2.9158 2.9236 3.0433 3.0497 3.3967 3.4067 3.6609 3.6708 3.9311 3.9413 4.5632 4.5651 4.8356 4.8385 7.2457 7.2562 7.5524 7.5585 8.0947 8.0975 8.4652 8.4710 8.8954 8.9035 k =-0.2499 0.3118 0.6567 ( 8542 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7956 -35.7954 -35.5197 -35.5195 -35.5193 -35.5191 -35.4961 -35.4961 -35.4959 -35.4959 -5.2995 -5.2993 -5.0990 -5.0985 -4.6502 -4.6497 -4.1331 -4.1314 -0.9970 -0.9939 -0.4119 -0.4103 1.4549 1.4588 1.6594 1.6624 2.3817 2.3855 2.8853 2.8931 3.0166 3.0226 3.3827 3.3930 3.6418 3.6526 3.9146 3.9261 4.5658 4.5678 4.8499 4.8528 7.2224 7.2325 7.5885 7.5939 8.0409 8.0432 8.4457 8.4510 8.8903 8.8990 k =-0.2588 0.3230 0.6424 ( 8540 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7954 -35.5197 -35.5196 -35.5193 -35.5191 -35.4961 -35.4961 -35.4959 -35.4958 -5.3120 -5.3119 -5.1037 -5.1032 -4.6606 -4.6601 -4.0982 -4.0965 -1.0193 -1.0161 -0.3795 -0.3780 1.4907 1.4952 1.6997 1.7029 2.3502 2.3540 2.8562 2.8638 2.9780 2.9832 3.3634 3.3731 3.6335 3.6442 3.9070 3.9192 4.5693 4.5713 4.8632 4.8662 7.1950 7.2047 7.6228 7.6276 7.9926 7.9947 8.4276 8.4325 8.8872 8.8962 k =-0.2678 0.3341 0.6281 ( 8540 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7954 -35.5197 -35.5196 -35.5193 -35.5191 -35.4962 -35.4961 -35.4959 -35.4958 -5.3231 -5.3230 -5.1082 -5.1077 -4.6698 -4.6693 -4.0659 -4.0641 -1.0407 -1.0374 -0.3501 -0.3487 1.5283 1.5335 1.7417 1.7450 2.3185 2.3221 2.8291 2.8366 2.9307 2.9349 3.3398 3.3486 3.6329 3.6430 3.9074 3.9198 4.5731 4.5751 4.8755 4.8784 7.1653 7.1745 7.6549 7.6590 7.9499 7.9517 8.4111 8.4157 8.8865 8.8958 k =-0.2767 0.3452 0.6138 ( 8533 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7954 -35.5197 -35.5196 -35.5193 -35.5191 -35.4962 -35.4961 -35.4958 -35.4958 -5.3329 -5.3327 -5.1124 -5.1119 -4.6778 -4.6774 -4.0367 -4.0348 -1.0607 -1.0572 -0.3241 -0.3227 1.5666 1.5726 1.7851 1.7886 2.2862 2.2897 2.8044 2.8116 2.8788 2.8821 3.3139 3.3217 3.6369 3.6465 3.9139 3.9263 4.5768 4.5787 4.8864 4.8894 7.1349 7.1437 7.6844 7.6877 7.9125 7.9143 8.3965 8.4007 8.8883 8.8977 k =-0.2856 0.3564 0.5996 ( 8538 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7953 -35.5198 -35.5196 -35.5193 -35.5191 -35.4962 -35.4961 -35.4958 -35.4958 -5.3411 -5.3410 -5.1161 -5.1156 -4.6846 -4.6842 -4.0111 -4.0092 -1.0787 -1.0751 -0.3016 -0.3002 1.6043 1.6111 1.8298 1.8333 2.2530 2.2564 2.7815 2.7882 2.8273 2.8296 3.2876 3.2947 3.6433 3.6524 3.9242 3.9362 4.5801 4.5820 4.8959 4.8990 7.1058 7.1142 7.7108 7.7133 7.8804 7.8822 8.3839 8.3877 8.8921 8.9015 k =-0.2946 0.3675 0.5853 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7953 -35.5198 -35.5196 -35.5193 -35.5191 -35.4962 -35.4961 -35.4958 -35.4958 -5.3479 -5.3478 -5.1193 -5.1188 -4.6902 -4.6898 -3.9895 -3.9875 -1.0942 -1.0906 -0.2828 -0.2816 1.6395 1.6472 1.8752 1.8788 2.2187 2.2220 2.7558 2.7606 2.7843 2.7876 3.2633 3.2697 3.6502 3.6590 3.9358 3.9476 4.5828 4.5847 4.9038 4.9069 7.0794 7.0876 7.7338 7.7355 7.8535 7.8554 8.3733 8.3768 8.8971 8.9065 k =-0.3035 0.3787 0.5710 ( 8538 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5193 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3532 -5.3531 -5.1218 -5.1213 -4.6945 -4.6942 -3.9723 -3.9703 -1.1068 -1.1031 -0.2681 -0.2669 1.6703 1.6789 1.9207 1.9242 2.1832 2.1865 2.7196 2.7233 2.7603 2.7663 3.2427 3.2484 3.6566 3.6652 3.9470 3.9584 4.5849 4.5868 4.9101 4.9132 7.0574 7.0654 7.7529 7.7541 7.8316 7.8337 8.3649 8.3681 8.9024 8.9118 k =-0.3124 0.3898 0.5567 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5193 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3570 -5.3568 -5.1237 -5.1231 -4.6977 -4.6973 -3.9598 -3.9577 -1.1161 -1.1123 -0.2574 -0.2563 1.6946 1.7040 1.9652 1.9686 2.1467 2.1501 2.6859 2.6896 2.7477 2.7544 3.2271 3.2323 3.6616 3.6701 3.9560 3.9672 4.5864 4.5883 4.9146 4.9178 7.0408 7.0487 7.7680 7.7693 7.8145 7.8168 8.3588 8.3618 8.9071 8.9164 k =-0.3214 0.4010 0.5424 ( 8531 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5193 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3592 -5.3591 -5.1248 -5.1242 -4.6995 -4.6992 -3.9522 -3.9501 -1.1217 -1.1179 -0.2510 -0.2499 1.7103 1.7202 2.0063 2.0092 2.1112 2.1144 2.6635 2.6673 2.7407 2.7476 3.2173 3.2222 3.6647 3.6733 3.9619 3.9729 4.5873 4.5892 4.9173 4.9206 7.0305 7.0383 7.7796 7.7815 7.8015 7.8039 8.3551 8.3580 8.9103 8.9196 k =-0.3303 0.4121 0.5281 ( 8529 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5192 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3600 -5.3599 -5.1251 -5.1246 -4.7002 -4.6998 -3.9496 -3.9475 -1.1237 -1.1198 -0.2488 -0.2477 1.7157 1.7259 2.0306 2.0310 2.0904 2.0927 2.6556 2.6595 2.7385 2.7453 3.2140 3.2188 3.6658 3.6744 3.9639 3.9749 4.5876 4.5895 4.9182 4.9215 7.0270 7.0348 7.7870 7.7891 7.7943 7.7955 8.3539 8.3567 8.9114 8.9207 k =-0.3303 0.4121 0.5281 ( 8529 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5192 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3600 -5.3599 -5.1251 -5.1246 -4.7002 -4.6998 -3.9496 -3.9475 -1.1237 -1.1198 -0.2488 -0.2477 1.7157 1.7259 2.0306 2.0310 2.0904 2.0927 2.6556 2.6595 2.7385 2.7453 3.2140 3.2188 3.6658 3.6744 3.9639 3.9749 4.5876 4.5895 4.9182 4.9215 7.0270 7.0348 7.7870 7.7891 7.7943 7.7955 8.3539 8.3567 8.9114 8.9207 k =-0.3214 0.4010 0.5139 ( 8527 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5192 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.3783 -5.3782 -5.0948 -5.0942 -4.7158 -4.7154 -3.9383 -3.9361 -1.1328 -1.1289 -0.2096 -0.2083 1.6870 1.6968 2.0259 2.0275 2.0419 2.0446 2.6084 2.6121 2.6985 2.7056 3.1784 3.1839 3.6888 3.6961 3.9861 3.9964 4.6184 4.6207 4.9454 4.9486 7.0724 7.0803 7.8542 7.8548 7.8765 7.8767 8.4346 8.4382 8.9347 8.9432 k =-0.3124 0.3898 0.4996 ( 8529 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7954 -35.7953 -35.5198 -35.5197 -35.5192 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.4024 -5.4023 -5.0632 -5.0626 -4.7243 -4.7238 -3.9267 -3.9244 -1.1437 -1.1398 -0.1763 -0.1748 1.6628 1.6722 1.9944 1.9952 2.0296 2.0303 2.5648 2.5681 2.6611 2.6683 3.1385 3.1444 3.7130 3.7191 4.0134 4.0228 4.6416 4.6442 4.9664 4.9695 7.1173 7.1253 7.9131 7.9143 7.9521 7.9526 8.5109 8.5152 8.9627 8.9702 k =-0.3035 0.3787 0.4853 ( 8527 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7954 -35.7952 -35.5199 -35.5197 -35.5192 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.4317 -5.4317 -5.0304 -5.0298 -4.7258 -4.7252 -3.9149 -3.9126 -1.1563 -1.1524 -0.1493 -0.1476 1.6431 1.6521 1.9484 1.9492 2.0357 2.0376 2.5263 2.5292 2.6266 2.6338 3.0954 3.1016 3.7382 3.7432 4.0449 4.0533 4.6564 4.6594 4.9809 4.9838 7.1619 7.1700 7.9705 7.9724 8.0123 8.0140 8.5825 8.5873 9.0005 9.0067 k =-0.2946 0.3676 0.4710 ( 8525 PWs) bands (ev): -68.8463 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7954 -35.7952 -35.5199 -35.5197 -35.5191 -35.5190 -35.4963 -35.4962 -35.4957 -35.4957 -5.4657 -5.4657 -4.9966 -4.9960 -4.7209 -4.7203 -3.9030 -3.9006 -1.1707 -1.1669 -0.1286 -0.1266 1.6281 1.6365 1.9042 1.9046 2.0440 2.0471 2.4946 2.4972 2.5961 2.6031 3.0499 3.0563 3.7639 3.7680 4.0799 4.0872 4.6626 4.6660 4.9885 4.9913 7.2066 7.2145 8.0262 8.0289 8.0560 8.0590 8.6487 8.6537 9.0518 9.0565 k =-0.2857 0.3564 0.4568 ( 8517 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7959 -35.7954 -35.7952 -35.5199 -35.5197 -35.5191 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5034 -5.5034 -4.9618 -4.9611 -4.7106 -4.7099 -3.8910 -3.8885 -1.1870 -1.1832 -0.1141 -0.1119 1.6175 1.6252 1.8620 1.8621 2.0509 2.0552 2.4712 2.4737 2.5716 2.5780 3.0028 3.0093 3.7899 3.7930 4.1177 4.1239 4.6598 4.6636 4.9892 4.9920 7.2516 7.2594 8.0788 8.0795 8.0875 8.0893 8.7077 8.7127 9.1175 9.1208 k =-0.2767 0.3453 0.4425 ( 8547 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7959 -35.7954 -35.7952 -35.5200 -35.5198 -35.5191 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5440 -5.5440 -4.9260 -4.9253 -4.6956 -4.6949 -3.8789 -3.8764 -1.2050 -1.2013 -0.1054 -0.1029 1.6113 1.6181 1.8216 1.8224 2.0524 2.0580 2.4555 2.4587 2.5573 2.5622 2.9547 2.9612 3.8156 3.8178 4.1580 4.1629 4.6480 4.6521 4.9833 4.9861 7.2973 7.3049 8.0951 8.1009 8.1342 8.1383 8.7560 8.7608 9.1961 9.1980 k =-0.2678 0.3341 0.4282 ( 8555 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7959 -35.7953 -35.7952 -35.5200 -35.5198 -35.5191 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5867 -5.5866 -4.8893 -4.8886 -4.6766 -4.6759 -3.8668 -3.8643 -1.2248 -1.2212 -0.1019 -0.0992 1.6090 1.6145 1.7841 1.7858 2.0459 2.0526 2.4429 2.4477 2.5601 2.5627 2.9060 2.9126 3.8404 3.8417 4.2002 4.2037 4.6272 4.6317 4.9714 4.9744 7.3439 7.3513 8.0971 8.1044 8.1849 8.1899 8.7873 8.7917 9.2839 9.2845 k =-0.2589 0.3230 0.4139 ( 8557 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7960 -35.7953 -35.7951 -35.5200 -35.5198 -35.5190 -35.5189 -35.4964 -35.4964 -35.4957 -35.4957 -5.6307 -5.6306 -4.8519 -4.8511 -4.6545 -4.6538 -3.8547 -3.8522 -1.2463 -1.2428 -0.1033 -0.1002 1.6098 1.6137 1.7502 1.7533 2.0310 2.0384 2.4283 2.4349 2.5848 2.5855 2.8573 2.8639 3.8635 3.8640 4.2440 4.2459 4.5976 4.6026 4.9543 4.9577 7.3919 7.3990 8.0905 8.0992 8.2342 8.2400 8.7928 8.7962 9.3740 9.3750 k =-0.2500 0.3119 0.3997 ( 8553 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7960 -35.7953 -35.7951 -35.5201 -35.5199 -35.5190 -35.5188 -35.4964 -35.4964 -35.4957 -35.4956 -5.6754 -5.6754 -4.8137 -4.8130 -4.6298 -4.6291 -3.8427 -3.8401 -1.2694 -1.2661 -0.1086 -0.1054 1.6122 1.6136 1.7216 1.7268 2.0092 2.0170 2.4117 2.4193 2.6291 2.6295 2.8089 2.8154 3.8837 3.8841 4.2889 4.2890 4.5598 4.5651 4.9335 4.9374 7.4414 7.4482 8.0776 8.0875 8.2818 8.2883 8.7648 8.7667 9.3819 9.3910 k =-0.2410 0.3007 0.3854 ( 8549 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7960 -35.7953 -35.7951 -35.5201 -35.5199 -35.5190 -35.5188 -35.4964 -35.4964 -35.4956 -35.4956 -5.7205 -5.7204 -4.7749 -4.7741 -4.6030 -4.6022 -3.8308 -3.8283 -1.2940 -1.2908 -0.1175 -0.1141 1.6105 1.6122 1.7021 1.7100 1.9828 1.9909 2.3946 2.4028 2.6886 2.6891 2.7612 2.7675 3.8996 3.9009 4.3325 4.3346 4.5144 4.5200 4.9106 4.9156 7.4924 7.4988 8.0593 8.0703 8.3276 8.3347 8.7037 8.7040 9.3960 9.4045 k =-0.2321 0.2896 0.3711 ( 8545 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7961 -35.7952 -35.7950 -35.5201 -35.5199 -35.5189 -35.5187 -35.4964 -35.4964 -35.4956 -35.4956 -5.7654 -5.7653 -4.7356 -4.7348 -4.5745 -4.5737 -3.8191 -3.8165 -1.3199 -1.3169 -0.1291 -0.1255 1.6009 1.6047 1.6967 1.7063 1.9539 1.9621 2.3783 2.3868 2.7124 2.7200 2.7600 2.7619 3.9104 3.9125 4.3758 4.3804 4.4620 4.4680 4.8880 4.8944 7.5447 7.5509 8.0360 8.0479 8.3713 8.3789 8.6163 8.6173 9.3890 9.3949 k =-0.2232 0.2785 0.3569 ( 8539 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7961 -35.7952 -35.7950 -35.5201 -35.5200 -35.5189 -35.5187 -35.4965 -35.4964 -35.4956 -35.4956 -5.8099 -5.8098 -4.6959 -4.6951 -4.5447 -4.5439 -3.8076 -3.8050 -1.3471 -1.3442 -0.1430 -0.1392 1.5854 1.5895 1.7056 1.7150 1.9239 1.9322 2.3635 2.3722 2.6667 2.6739 2.8396 2.8409 3.9145 3.9173 4.4038 4.4101 4.4183 4.4259 4.8682 4.8767 7.5981 7.6040 8.0071 8.0199 8.4123 8.4202 8.5135 8.5152 9.3156 9.3220 k =-0.2142 0.2673 0.3426 ( 8539 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7961 -35.7952 -35.7950 -35.5202 -35.5200 -35.5189 -35.5187 -35.4965 -35.4965 -35.4955 -35.4955 -5.8537 -5.8536 -4.6559 -4.6550 -4.5139 -4.5130 -3.7963 -3.7937 -1.3753 -1.3726 -0.1586 -0.1547 1.5675 1.5712 1.7240 1.7324 1.8940 1.9023 2.3504 2.3593 2.6215 2.6288 2.9254 2.9264 3.9103 3.9135 4.3407 4.3474 4.4592 4.4703 4.8541 4.8652 7.6517 7.6574 7.9719 7.9855 8.3979 8.4002 8.4546 8.4628 9.2448 9.2518 k =-0.2053 0.2562 0.3283 ( 8533 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7961 -35.7951 -35.7950 -35.5202 -35.5200 -35.5188 -35.5186 -35.4965 -35.4965 -35.4955 -35.4955 -5.8966 -5.8965 -4.6156 -4.6148 -4.4823 -4.4814 -3.7853 -3.7828 -1.4043 -1.4018 -0.1754 -0.1713 1.5499 1.5531 1.7483 1.7555 1.8650 1.8733 2.3392 2.3481 2.5776 2.5850 3.0154 3.0161 3.8962 3.8996 4.2742 4.2812 4.4981 4.5128 4.8483 4.8626 7.7041 7.7096 7.9295 7.9437 8.2838 8.2865 8.4889 8.4978 9.1798 9.1874 k =-0.1964 0.2450 0.3140 ( 8529 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7961 -35.7951 -35.7949 -35.5202 -35.5200 -35.5188 -35.5186 -35.4965 -35.4965 -35.4955 -35.4955 -5.9384 -5.9383 -4.5753 -4.5744 -4.4503 -4.4494 -3.7746 -3.7721 -1.4340 -1.4317 -0.1930 -0.1888 1.5340 1.5367 1.7768 1.7827 1.8373 1.8456 2.3298 2.3388 2.5352 2.5427 3.1077 3.1081 3.8715 3.8748 4.2057 4.2131 4.5347 4.5529 4.8529 4.8704 7.7516 7.7573 7.8792 7.8937 8.1709 8.1736 8.5213 8.5304 9.1223 9.1304 k =-0.1875 0.2339 0.2998 ( 8529 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7962 -35.7951 -35.7949 -35.5203 -35.5201 -35.5188 -35.5186 -35.4965 -35.4965 -35.4955 -35.4955 -5.9789 -5.9789 -4.5350 -4.5342 -4.4180 -4.4171 -3.7642 -3.7618 -1.4643 -1.4622 -0.2110 -0.2067 1.5205 1.5227 1.8082 1.8118 1.8131 1.8198 2.3222 2.3312 2.4943 2.5020 3.2001 3.2002 3.8360 3.8389 4.1375 4.1453 4.5696 4.5903 4.8686 4.8888 7.7846 7.7908 7.8209 7.8354 8.0710 8.0731 8.5500 8.5593 9.0728 9.0814 k =-0.1785 0.2228 0.2855 ( 8537 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7962 -35.7950 -35.7949 -35.5203 -35.5201 -35.5187 -35.5186 -35.4966 -35.4966 -35.4954 -35.4954 -6.0181 -6.0181 -4.4949 -4.4940 -4.3857 -4.3848 -3.7543 -3.7518 -1.4948 -1.4929 -0.2291 -0.2248 1.5096 1.5115 1.7877 1.7961 1.8426 1.8458 2.3161 2.3252 2.4552 2.4632 3.2892 3.2896 3.7903 3.7926 4.0726 4.0809 4.6034 4.6257 4.8948 4.9169 7.7538 7.7688 7.7766 7.7829 8.0118 8.0131 8.5749 8.5842 9.0311 9.0402 k =-0.1696 0.2116 0.2712 ( 8525 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7962 -35.7950 -35.7948 -35.5203 -35.5201 -35.5187 -35.5185 -35.4966 -35.4966 -35.4954 -35.4954 -6.0559 -6.0558 -4.4551 -4.4543 -4.3535 -4.3526 -3.7447 -3.7423 -1.5256 -1.5238 -0.2470 -0.2427 1.5018 1.5033 1.7664 1.7747 1.8784 1.8802 2.3114 2.3206 2.4180 2.4264 3.3702 3.3710 3.7358 3.7374 4.0164 4.0252 4.6371 4.6599 4.9297 4.9526 7.6802 7.6949 7.7068 7.7128 8.0125 8.0137 8.5961 8.6053 8.9966 9.0061 k =-0.1607 0.2005 0.2569 ( 8519 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7963 -35.7950 -35.7948 -35.5203 -35.5202 -35.5186 -35.5185 -35.4966 -35.4966 -35.4954 -35.4954 -6.0920 -6.0920 -4.4158 -4.4149 -4.3217 -4.3208 -3.7355 -3.7332 -1.5562 -1.5547 -0.2646 -0.2602 1.4970 1.4982 1.7477 1.7560 1.9153 1.9155 2.3078 2.3172 2.3832 2.3919 3.4346 3.4357 3.6741 3.6749 3.9779 3.9868 4.6713 4.6938 4.9711 4.9941 7.5995 7.6068 7.6116 7.6147 8.0419 8.0430 8.6142 8.6230 8.9681 8.9779 k =-0.1518 0.1893 0.2427 ( 8523 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7963 -35.7949 -35.7948 -35.5203 -35.5202 -35.5186 -35.5185 -35.4966 -35.4966 -35.4954 -35.4954 -6.1266 -6.1265 -4.3771 -4.3762 -4.2904 -4.2896 -3.7267 -3.7245 -1.5867 -1.5853 -0.2816 -0.2772 1.4955 1.4964 1.7318 1.7401 1.9508 1.9525 2.3046 2.3146 2.3511 2.3599 3.4705 3.4711 3.6070 3.6071 3.9697 3.9782 4.7064 4.7281 5.0169 5.0396 7.4965 7.5022 7.5162 7.5296 8.0758 8.0766 8.6304 8.6387 8.9442 8.9543 k =-0.1428 0.1782 0.2284 ( 8531 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7965 -35.7963 -35.7949 -35.7948 -35.5204 -35.5202 -35.5186 -35.5185 -35.4966 -35.4966 -35.4954 -35.4954 -6.1594 -6.1594 -4.3392 -4.3383 -4.2599 -4.2590 -3.7184 -3.7163 -1.6167 -1.6155 -0.2978 -0.2935 1.4973 1.4979 1.7188 1.7271 1.9851 1.9889 2.3001 2.3124 2.3237 2.3310 3.4697 3.4703 3.5354 3.5364 3.9997 4.0071 4.7422 4.7629 5.0655 5.0877 7.3867 7.3921 7.4280 7.4410 8.1046 8.1048 8.6467 8.6541 8.9237 8.9342 k =-0.1339 0.1671 0.2141 ( 8531 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7965 -35.7963 -35.7949 -35.7948 -35.5204 -35.5202 -35.5186 -35.5184 -35.4967 -35.4967 -35.4954 -35.4954 -6.1905 -6.1905 -4.3022 -4.3014 -4.2302 -4.2293 -3.7106 -3.7086 -1.6462 -1.6451 -0.3132 -0.3090 1.5025 1.5029 1.7090 1.7171 2.0170 2.0232 2.2872 2.3057 2.3082 2.3105 3.4374 3.4395 3.4618 3.4640 4.0622 4.0682 4.7787 4.7982 5.1159 5.1372 7.2787 7.2838 7.3380 7.3505 8.1226 8.1232 8.6653 8.6717 8.9054 8.9163 k =-0.1250 0.1559 0.1998 ( 8523 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7965 -35.7963 -35.7949 -35.7948 -35.5204 -35.5203 -35.5186 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.2198 -6.2197 -4.2664 -4.2655 -4.2015 -4.2007 -3.7033 -3.7013 -1.6749 -1.6740 -0.3277 -0.3236 1.5112 1.5113 1.7024 1.7104 2.0447 2.0536 2.2683 2.2853 2.3030 2.3077 3.3848 3.3867 3.3917 3.3935 4.1444 4.1495 4.8154 4.8337 5.1669 5.1874 7.1740 7.1789 7.2474 7.2592 8.1269 8.1283 8.6883 8.6937 8.8886 8.9000 k =-0.1160 0.1448 0.1856 ( 8511 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7963 -35.7949 -35.7947 -35.5204 -35.5203 -35.5185 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.2472 -6.2471 -4.2318 -4.2310 -4.1741 -4.1733 -3.6965 -3.6946 -1.7027 -1.7019 -0.3412 -0.3372 1.5232 1.5233 1.6991 1.7070 2.0660 2.0771 2.2538 2.2710 2.2987 2.3040 3.3140 3.3161 3.3321 3.3341 4.2371 4.2413 4.8520 4.8691 5.2178 5.2374 7.0735 7.0782 7.1573 7.1686 8.1165 8.1186 8.7166 8.7210 8.8729 8.8846 k =-0.1071 0.1337 0.1713 ( 8501 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5203 -35.5185 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.2727 -6.2727 -4.1988 -4.1980 -4.1480 -4.1473 -3.6901 -3.6884 -1.7294 -1.7286 -0.3536 -0.3498 1.5386 1.5390 1.6992 1.7070 2.0788 2.0910 2.2471 2.2635 2.2933 2.2985 3.2431 3.2467 3.2718 3.2746 4.3346 4.3382 4.8881 4.9040 5.2680 5.2866 6.9779 6.9823 7.0690 7.0795 8.0919 8.0945 8.7497 8.7536 8.8581 8.8699 k =-0.0982 0.1225 0.1570 ( 8505 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5203 -35.5185 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.2963 -6.2962 -4.1674 -4.1666 -4.1234 -4.1227 -3.6843 -3.6827 -1.7547 -1.7541 -0.3650 -0.3613 1.5575 1.5581 1.7027 1.7104 2.0826 2.0940 2.2482 2.2618 2.2857 2.2908 3.1763 3.1809 3.2131 3.2162 4.4338 4.4369 4.9233 4.9380 5.3170 5.3345 6.8877 6.8919 6.9833 6.9932 8.0552 8.0582 8.7855 8.7899 8.8450 8.8560 k =-0.0893 0.1114 0.1427 ( 8503 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5203 -35.5184 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.3179 -6.3179 -4.1378 -4.1371 -4.1004 -4.0998 -3.6790 -3.6775 -1.7787 -1.7781 -0.3752 -0.3718 1.5798 1.5806 1.7098 1.7173 2.0792 2.0887 2.2530 2.2621 2.2754 2.2808 3.1151 3.1207 3.1580 3.1612 4.5324 4.5351 4.9573 4.9707 5.3640 5.3804 6.8035 6.8074 6.9014 6.9105 8.0089 8.0121 8.8148 8.8280 8.8411 8.8433 k =-0.0803 0.1002 0.1285 ( 8499 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5203 -35.5184 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.3375 -6.3375 -4.1104 -4.1097 -4.0792 -4.0786 -3.6742 -3.6729 -1.8009 -1.8005 -0.3844 -0.3812 1.6055 1.6066 1.7205 1.7277 2.0713 2.0787 2.2537 2.2565 2.2640 2.2713 3.0612 3.0678 3.1080 3.1110 4.6287 4.6311 4.9897 5.0018 5.4087 5.4239 6.7256 6.7292 6.8240 6.8324 7.9559 7.9591 8.8129 8.8308 8.8675 8.8701 k =-0.0714 0.0891 0.1142 ( 8503 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7964 -35.7948 -35.7947 -35.5204 -35.5204 -35.5184 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.3551 -6.3551 -4.0852 -4.0846 -4.0599 -4.0593 -3.6699 -3.6687 -1.8214 -1.8211 -0.3925 -0.3896 1.6346 1.6359 1.7347 1.7417 2.0615 2.0670 2.2391 2.2400 2.2581 2.2633 3.0160 3.0234 3.0640 3.0668 4.7214 4.7233 5.0201 5.0308 5.4506 5.4644 6.6546 6.6579 6.7520 6.7597 7.8989 7.9019 8.8038 8.8207 8.9050 8.9066 k =-0.0625 0.0780 0.0999 ( 8513 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5205 -35.5204 -35.5184 -35.5183 -35.4968 -35.4968 -35.4953 -35.4953 -6.3707 -6.3707 -4.0624 -4.0619 -4.0425 -4.0420 -3.6662 -3.6651 -1.8400 -1.8397 -0.3995 -0.3969 1.6669 1.6685 1.7523 1.7590 2.0511 2.0552 2.2165 2.2166 2.2475 2.2498 2.9806 2.9884 3.0265 3.0291 4.8088 4.8103 5.0482 5.0575 5.4891 5.5015 6.5908 6.5937 6.6863 6.6931 7.8404 7.8432 8.7960 8.8125 8.9402 8.9416 k =-0.0536 0.0668 0.0856 ( 8505 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5184 -35.5183 -35.4968 -35.4968 -35.4953 -35.4953 -6.3843 -6.3843 -4.0422 -4.0418 -4.0272 -4.0268 -3.6629 -3.6620 -1.8564 -1.8562 -0.4055 -0.4032 1.7023 1.7041 1.7734 1.7798 2.0413 2.0440 2.1884 2.1892 2.2280 2.2282 2.9549 2.9628 2.9958 2.9981 4.8894 4.8905 5.0737 5.0815 5.5237 5.5346 6.5347 6.5372 6.6276 6.6335 7.7830 7.7855 8.7905 8.8065 8.9721 8.9735 k =-0.0446 0.0557 0.0714 ( 8497 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4968 -35.4968 -35.4952 -35.4952 -6.3958 -6.3958 -4.0249 -4.0245 -4.0141 -4.0138 -3.6601 -3.6594 -1.8705 -1.8704 -0.4105 -0.4086 1.7406 1.7426 1.7977 1.8037 2.0324 2.0341 2.1563 2.1580 2.1984 2.1996 2.9380 2.9456 2.9714 2.9735 4.9616 4.9621 5.0965 5.1026 5.5541 5.5634 6.4865 6.4887 6.5766 6.5817 7.7290 7.7311 8.7876 8.8029 8.9999 9.0014 k =-0.0357 0.0446 0.0571 ( 8493 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4968 -35.4968 -35.4952 -35.4952 -6.4052 -6.4052 -4.0105 -4.0102 -4.0032 -4.0029 -3.6579 -3.6573 -1.8823 -1.8822 -0.4145 -0.4129 1.7814 1.7836 1.8251 1.8307 2.0249 2.0255 2.1211 2.1239 2.1618 2.1639 2.9281 2.9348 2.9529 2.9548 5.0231 5.0232 5.1165 5.1209 5.5798 5.5874 6.4467 6.4485 6.5340 6.5381 7.6807 7.6825 8.7875 8.8014 9.0231 9.0247 k =-0.0268 0.0334 0.0428 ( 8487 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4125 -6.4125 -3.9993 -3.9991 -3.9945 -3.9944 -3.6561 -3.6556 -1.8916 -1.8915 -0.4175 -0.4163 1.8244 1.8268 1.8552 1.8601 2.0185 2.0191 2.0839 2.0879 2.1203 2.1229 2.9229 2.9286 2.9398 2.9414 5.0711 5.0721 5.1343 5.1367 5.6004 5.6062 6.4155 6.4168 6.5003 6.5034 7.6404 7.6418 8.7897 8.8016 9.0409 9.0430 k =-0.0179 0.0223 0.0285 ( 8485 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4178 -6.4178 -3.9914 -3.9913 -3.9881 -3.9880 -3.6548 -3.6545 -1.8983 -1.8983 -0.4196 -0.4188 1.8685 1.8710 1.8872 1.8915 2.0125 2.0151 2.0461 2.0519 2.0763 2.0791 2.9205 2.9245 2.9317 2.9329 5.1040 5.1056 5.1501 5.1507 5.6157 5.6196 6.3930 6.3939 6.4761 6.4782 7.6101 7.6110 8.7935 8.8024 9.0524 9.0553 k =-0.0089 0.0111 0.0143 ( 8475 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4209 -6.4209 -3.9868 -3.9868 -3.9840 -3.9840 -3.6540 -3.6539 -1.9023 -1.9023 -0.4208 -0.4204 1.9115 1.9136 1.9189 1.9223 2.0039 2.0097 2.0132 2.0213 2.0342 2.0370 2.9193 2.9211 2.9283 2.9287 5.1216 5.1229 5.1624 5.1625 5.6253 5.6273 6.3796 6.3801 6.4616 6.4626 7.5913 7.5917 8.7978 8.8026 9.0562 9.0595 k = 0.0000 0.0000 0.0000 ( 8467 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7964 -35.7964 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4219 -6.4219 -3.9853 -3.9853 -3.9826 -3.9826 -3.6537 -3.6537 -1.9037 -1.9037 -0.4210 -0.4210 1.9374 1.9374 1.9399 1.9399 1.9881 1.9881 2.0101 2.0101 2.0149 2.0149 2.9193 2.9193 2.9275 2.9275 5.1274 5.1274 5.1673 5.1673 5.6292 5.6292 6.3753 6.3753 6.4571 6.4571 7.5850 7.5850 8.8011 8.8011 9.0570 9.0570 k = 0.0000 0.0000 0.0000 ( 8467 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7964 -35.7964 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4219 -6.4219 -3.9853 -3.9853 -3.9826 -3.9826 -3.6537 -3.6537 -1.9037 -1.9037 -0.4210 -0.4210 1.9374 1.9374 1.9399 1.9399 1.9881 1.9881 2.0101 2.0101 2.0149 2.0149 2.9193 2.9193 2.9275 2.9275 5.1274 5.1274 5.1673 5.1673 5.6292 5.6292 6.3753 6.3753 6.4571 6.4571 7.5850 7.5850 8.8011 8.8011 9.0570 9.0570 k = 0.0156 0.0125 0.0000 ( 8475 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4209 -6.4209 -3.9855 -3.9855 -3.9828 -3.9828 -3.6577 -3.6577 -1.9010 -1.9010 -0.4226 -0.4226 1.9387 1.9387 1.9408 1.9408 1.9706 1.9707 2.0079 2.0079 2.0413 2.0413 2.9205 2.9205 2.9286 2.9286 5.1250 5.1250 5.1648 5.1648 5.6216 5.6216 6.3732 6.3732 6.4625 6.4625 7.5895 7.5895 8.7983 8.7983 9.0568 9.0568 k = 0.0312 0.0250 0.0000 ( 8487 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4178 -6.4178 -3.9862 -3.9862 -3.9834 -3.9834 -3.6694 -3.6694 -1.8929 -1.8929 -0.4273 -0.4273 1.9357 1.9358 1.9436 1.9436 1.9527 1.9528 2.0164 2.0164 2.0773 2.0773 2.9239 2.9239 2.9320 2.9320 5.1177 5.1177 5.1574 5.1574 5.5990 5.5990 6.3684 6.3684 6.4772 6.4772 7.6024 7.6024 8.7902 8.7902 9.0561 9.0561 k = 0.0469 0.0376 0.0000 ( 8483 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4952 -35.4952 -6.4127 -6.4127 -3.9872 -3.9872 -3.9845 -3.9845 -3.6887 -3.6887 -1.8797 -1.8797 -0.4350 -0.4350 1.9151 1.9152 1.9508 1.9508 1.9561 1.9561 2.0314 2.0314 2.1167 2.1167 2.9296 2.9296 2.9377 2.9377 5.1057 5.1057 5.1451 5.1451 5.5625 5.5625 6.3631 6.3631 6.4991 6.4991 7.6221 7.6221 8.7774 8.7774 9.0540 9.0540 k = 0.0625 0.0501 0.0000 ( 8487 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.4055 -6.4055 -3.9887 -3.9887 -3.9860 -3.9860 -3.7151 -3.7151 -1.8619 -1.8619 -0.4456 -0.4456 1.8942 1.8942 1.9609 1.9609 1.9655 1.9655 2.0522 2.0522 2.1588 2.1588 2.9376 2.9376 2.9456 2.9456 5.0891 5.0891 5.1282 5.1282 5.5133 5.5133 6.3585 6.3585 6.5266 6.5266 7.6462 7.6462 8.7614 8.7614 9.0491 9.0491 k = 0.0781 0.0626 0.0000 ( 8479 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5183 -35.5183 -35.4967 -35.4967 -35.4953 -35.4953 -6.3962 -6.3962 -3.9905 -3.9905 -3.9879 -3.9879 -3.7480 -3.7480 -1.8400 -1.8400 -0.4590 -0.4590 1.8762 1.8763 1.9738 1.9738 1.9781 1.9781 2.0786 2.0786 2.2032 2.2032 2.9477 2.9477 2.9557 2.9557 5.0682 5.0682 5.1069 5.1069 5.4533 5.4533 6.3552 6.3552 6.5592 6.5592 7.6717 7.6718 8.7440 8.7440 9.0396 9.0396 k = 0.0938 0.0751 0.0000 ( 8511 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5184 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.3849 -6.3849 -3.9928 -3.9928 -3.9901 -3.9901 -3.7868 -3.7868 -1.8147 -1.8147 -0.4748 -0.4748 1.8618 1.8618 1.9895 1.9895 1.9935 1.9935 2.1103 2.1103 2.2499 2.2499 2.9601 2.9601 2.9680 2.9680 5.0431 5.0431 5.0813 5.0813 5.3839 5.3839 6.3534 6.3534 6.5964 6.5964 7.6951 7.6951 8.7272 8.7272 9.0230 9.0230 k = 0.1094 0.0877 0.0000 ( 8527 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7947 -35.7947 -35.5204 -35.5204 -35.5184 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.3716 -6.3716 -3.9953 -3.9953 -3.9928 -3.9928 -3.8308 -3.8308 -1.7866 -1.7866 -0.4928 -0.4928 1.8511 1.8511 2.0078 2.0078 2.0116 2.0116 2.1470 2.1470 2.2985 2.2985 2.9746 2.9746 2.9824 2.9824 5.0141 5.0141 5.0518 5.0518 5.3069 5.3069 6.3530 6.3530 6.6381 6.6381 7.7125 7.7125 8.7138 8.7139 8.9964 8.9964 k = 0.1250 0.1002 0.0000 ( 8519 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7965 -35.7965 -35.7948 -35.7948 -35.5204 -35.5204 -35.5184 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.3562 -6.3562 -3.9982 -3.9982 -3.9957 -3.9957 -3.8795 -3.8795 -1.7562 -1.7562 -0.5129 -0.5129 1.8443 1.8443 2.0287 2.0287 2.0322 2.0322 2.1883 2.1883 2.3489 2.3489 2.9912 2.9912 2.9989 2.9989 4.9816 4.9816 5.0189 5.0189 5.2237 5.2237 6.3538 6.3538 6.6841 6.6841 7.7205 7.7205 8.7062 8.7062 8.9572 8.9572 k = 0.1406 0.1127 0.0000 ( 8515 PWs) bands (ev): -68.8463 -68.8463 -68.8461 -68.8461 -35.7964 -35.7964 -35.7948 -35.7948 -35.5203 -35.5203 -35.5184 -35.5184 -35.4967 -35.4967 -35.4953 -35.4953 -6.3388 -6.3388 -4.0014 -4.0014 -3.9989 -3.9989 -3.9321 -3.9321 -1.7244 -1.7244 -0.5346 -0.5346 1.8415 1.8415 2.0520 2.0520 2.0553 2.0553 2.2338 2.2338 2.4010 2.4010 3.0098 3.0098 3.0174 3.0174 4.9457 4.9457 4.9827 4.9827 5.1357 5.1357 6.3556 6.3556 6.7343 6.7343 7.7163 7.7163 8.7062 8.7062 8.9038 8.9038 k = 0.1562 0.1252 0.0000 ( 8551 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7965 -35.7965 -35.7948 -35.7948 -35.5204 -35.5204 -35.5185 -35.5185 -35.4967 -35.4967 -35.4953 -35.4953 -6.3194 -6.3194 -4.0048 -4.0048 -4.0024 -4.0024 -3.9881 -3.9881 -1.6914 -1.6914 -0.5578 -0.5578 1.8429 1.8429 2.0777 2.0777 2.0807 2.0807 2.2832 2.2832 2.4545 2.4545 3.0303 3.0303 3.0378 3.0378 4.9068 4.9068 4.9438 4.9438 5.0440 5.0440 6.3582 6.3582 6.7886 6.7886 7.6983 7.6983 8.7144 8.7144 8.8359 8.8359 k = 0.1719 0.1378 0.0000 ( 8551 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7964 -35.7948 -35.7948 -35.5203 -35.5203 -35.5185 -35.5185 -35.4967 -35.4967 -35.4954 -35.4954 -6.2980 -6.2980 -4.0470 -4.0470 -4.0085 -4.0085 -4.0062 -4.0062 -1.6580 -1.6580 -0.5823 -0.5823 1.8485 1.8485 2.1055 2.1055 2.1083 2.1083 2.3359 2.3359 2.5094 2.5094 3.0526 3.0526 3.0599 3.0599 4.8644 4.8644 4.9024 4.9024 4.9503 4.9503 6.3613 6.3613 6.8468 6.8468 7.6664 7.6664 8.7283 8.7283 8.7564 8.7564 k = 0.1875 0.1503 0.0000 ( 8551 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7964 -35.7949 -35.7949 -35.5203 -35.5203 -35.5185 -35.5185 -35.4967 -35.4967 -35.4954 -35.4954 -6.2746 -6.2746 -4.1083 -4.1083 -4.0123 -4.0123 -4.0101 -4.0101 -1.6243 -1.6243 -0.6076 -0.6076 1.8585 1.8585 2.1354 2.1354 2.1379 2.1380 2.3917 2.3917 2.5653 2.5653 3.0765 3.0765 3.0837 3.0837 4.8147 4.8147 4.8590 4.8590 4.8598 4.8598 6.3646 6.3646 6.9086 6.9086 7.6218 7.6218 8.6598 8.6598 8.6687 8.6687 k = 0.2031 0.1628 0.0000 ( 8543 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7964 -35.7964 -35.7949 -35.7949 -35.5203 -35.5203 -35.5186 -35.5186 -35.4967 -35.4967 -35.4954 -35.4954 -6.2493 -6.2493 -4.1716 -4.1716 -4.0163 -4.0163 -4.0142 -4.0142 -1.5909 -1.5909 -0.6337 -0.6337 1.8727 1.8727 2.1671 2.1671 2.1694 2.1694 2.4501 2.4501 2.6221 2.6221 3.1020 3.1020 3.1090 3.1090 4.7385 4.7385 4.7922 4.7922 4.8144 4.8144 6.3678 6.3678 6.9738 6.9738 7.5663 7.5663 8.5584 8.5584 8.5660 8.5660 k = 0.2188 0.1753 0.0000 ( 8535 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7963 -35.7949 -35.7949 -35.5202 -35.5202 -35.5186 -35.5186 -35.4966 -35.4966 -35.4954 -35.4954 -6.2219 -6.2219 -4.2364 -4.2364 -4.0204 -4.0204 -4.0183 -4.0183 -1.5580 -1.5580 -0.6604 -0.6604 1.8914 1.8914 2.2005 2.2005 2.2026 2.2026 2.5106 2.5106 2.6797 2.6797 3.1287 3.1287 3.1354 3.1354 4.6423 4.6423 4.7425 4.7425 4.7685 4.7685 6.3707 6.3707 7.0420 7.0420 7.5021 7.5021 8.4504 8.4504 8.4572 8.4572 k = 0.2344 0.1878 0.0000 ( 8535 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7963 -35.7949 -35.7949 -35.5202 -35.5202 -35.5186 -35.5186 -35.4966 -35.4966 -35.4954 -35.4954 -6.1926 -6.1926 -4.3026 -4.3026 -4.0246 -4.0246 -4.0226 -4.0226 -1.5257 -1.5257 -0.6873 -0.6873 1.9144 1.9144 2.2354 2.2354 2.2373 2.2373 2.5729 2.5729 2.7377 2.7377 3.1563 3.1563 3.1629 3.1629 4.5421 4.5421 4.6956 4.6956 4.7221 4.7221 6.3730 6.3730 7.1130 7.1130 7.4311 7.4311 8.3384 8.3384 8.3446 8.3446 k = 0.2500 0.2004 0.0000 ( 8543 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7963 -35.7950 -35.7950 -35.5202 -35.5202 -35.5187 -35.5187 -35.4966 -35.4966 -35.4955 -35.4955 -6.1614 -6.1614 -4.3697 -4.3697 -4.0287 -4.0287 -4.0268 -4.0268 -1.4943 -1.4943 -0.7145 -0.7145 1.9417 1.9417 2.2717 2.2717 2.2734 2.2734 2.6363 2.6363 2.7959 2.7959 3.1847 3.1847 3.1910 3.1910 4.4407 4.4407 4.6493 4.6493 4.6754 4.6754 6.3743 6.3743 7.1863 7.1863 7.3552 7.3552 8.2244 8.2244 8.2300 8.2300 k = 0.2656 0.2129 0.0000 ( 8559 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7963 -35.7963 -35.7950 -35.7950 -35.5202 -35.5202 -35.5187 -35.5187 -35.4966 -35.4966 -35.4955 -35.4955 -6.1283 -6.1283 -4.4375 -4.4375 -4.0329 -4.0329 -4.0311 -4.0311 -1.4639 -1.4639 -0.7416 -0.7416 1.9733 1.9733 2.3089 2.3089 2.3105 2.3105 2.7005 2.7005 2.8540 2.8540 3.2134 3.2134 3.2195 3.2195 4.3390 4.3390 4.6037 4.6037 4.6292 4.6292 6.3745 6.3745 7.2614 7.2614 7.2760 7.2760 8.1099 8.1099 8.1152 8.1152 k = 0.2812 0.2254 0.0000 ( 8563 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7962 -35.7951 -35.7951 -35.5201 -35.5201 -35.5188 -35.5188 -35.4965 -35.4965 -35.4955 -35.4955 -6.0933 -6.0933 -4.5058 -4.5058 -4.0370 -4.0370 -4.0353 -4.0353 -1.4345 -1.4345 -0.7687 -0.7687 2.0091 2.0091 2.3471 2.3471 2.3485 2.3485 2.7649 2.7649 2.9117 2.9117 3.2420 3.2420 3.2479 3.2479 4.2374 4.2374 4.5591 4.5591 4.5838 4.5838 6.3734 6.3734 7.1948 7.1948 7.3379 7.3379 7.9964 7.9964 8.0013 8.0013 k = 0.2969 0.2379 0.0000 ( 8571 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7962 -35.7951 -35.7951 -35.5201 -35.5201 -35.5188 -35.5188 -35.4965 -35.4965 -35.4956 -35.4956 -6.0565 -6.0565 -4.5743 -4.5743 -4.0410 -4.0410 -4.0394 -4.0394 -1.4062 -1.4062 -0.7956 -0.7956 2.0491 2.0491 2.3858 2.3858 2.3872 2.3872 2.8289 2.8290 2.9687 2.9687 3.2701 3.2701 3.2756 3.2756 4.1363 4.1363 4.5161 4.5161 4.5397 4.5397 6.3707 6.3707 7.1128 7.1128 7.4153 7.4153 7.8850 7.8850 7.8896 7.8896 k = 0.3125 0.2505 0.0000 ( 8555 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7962 -35.7962 -35.7951 -35.7951 -35.5200 -35.5200 -35.5188 -35.5188 -35.4965 -35.4965 -35.4956 -35.4956 -6.0177 -6.0177 -4.6429 -4.6429 -4.0448 -4.0448 -4.0434 -4.0434 -1.3790 -1.3790 -0.8222 -0.8222 2.0930 2.0930 2.4247 2.4247 2.4263 2.4263 2.8920 2.8920 3.0246 3.0246 3.2971 3.2971 3.3023 3.3023 4.0360 4.0360 4.4752 4.4752 4.4977 4.4977 6.3665 6.3665 7.0310 7.0310 7.4930 7.4930 7.7768 7.7768 7.7810 7.7810 k = 0.3281 0.2630 0.0000 ( 8547 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7951 -35.7951 -35.5200 -35.5200 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.9772 -5.9772 -4.7114 -4.7114 -4.0485 -4.0485 -4.0472 -4.0472 -1.3527 -1.3527 -0.8484 -0.8484 2.1409 2.1409 2.4637 2.4637 2.4653 2.4653 2.9534 2.9534 3.0789 3.0789 3.3225 3.3225 3.3272 3.3272 3.9369 3.9369 4.4369 4.4369 4.4581 4.4581 6.3608 6.3608 6.9504 6.9504 7.5705 7.5705 7.6727 7.6727 7.6766 7.6766 k = 0.3438 0.2755 0.0000 ( 8556 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7952 -35.5200 -35.5200 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.9349 -5.9349 -4.7796 -4.7796 -4.0520 -4.0520 -4.0508 -4.0508 -1.3275 -1.3275 -0.8741 -0.8741 2.1924 2.1925 2.5024 2.5024 2.5041 2.5041 3.0123 3.0123 3.1312 3.1312 3.3456 3.3456 3.3498 3.3498 3.8393 3.8393 4.4018 4.4018 4.4216 4.4216 6.3538 6.3538 6.8718 6.8718 7.5735 7.5735 7.5771 7.5771 7.6475 7.6475 k = 0.3594 0.2880 0.0000 ( 8572 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7952 -35.5199 -35.5199 -35.5190 -35.5190 -35.4964 -35.4964 -35.4957 -35.4957 -5.8909 -5.8909 -4.8475 -4.8475 -4.0553 -4.0553 -4.0542 -4.0542 -1.3031 -1.3031 -0.8994 -0.8994 2.2476 2.2476 2.5403 2.5403 2.5421 2.5421 3.0677 3.0677 3.1810 3.1810 3.3659 3.3659 3.3696 3.3696 3.7440 3.7440 4.3703 4.3703 4.3887 4.3887 6.3458 6.3458 6.7961 6.7961 7.4803 7.4803 7.4837 7.4837 7.7231 7.7231 k = 0.3750 0.3005 0.0000 ( 8572 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7960 -35.7953 -35.7953 -35.5199 -35.5199 -35.5190 -35.5190 -35.4964 -35.4964 -35.4957 -35.4957 -5.8451 -5.8451 -4.9147 -4.9147 -4.0583 -4.0583 -4.0573 -4.0573 -1.2795 -1.2795 -0.9243 -0.9242 2.3062 2.3062 2.5771 2.5771 2.5789 2.5789 3.1180 3.1180 3.2276 3.2276 3.3830 3.3830 3.3860 3.3860 3.6517 3.6517 4.3430 4.3430 4.3597 4.3597 6.3375 6.3375 6.7241 6.7241 7.3939 7.3939 7.3969 7.3969 7.7973 7.7973 k = 0.3906 0.3131 0.0000 ( 8568 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7960 -35.7953 -35.7953 -35.5198 -35.5198 -35.5191 -35.5191 -35.4963 -35.4963 -35.4958 -35.4958 -5.7976 -5.7976 -4.9813 -4.9813 -4.0610 -4.0610 -4.0601 -4.0601 -1.2566 -1.2566 -0.9486 -0.9486 2.3681 2.3681 2.6121 2.6121 2.6140 2.6140 3.1607 3.1607 3.2705 3.2705 3.3965 3.3965 3.3987 3.3988 3.5646 3.5646 4.3201 4.3201 4.3350 4.3350 6.3292 6.3292 6.6563 6.6563 7.3150 7.3150 7.3177 7.3177 7.8697 7.8697 k = 0.4062 0.3256 0.0000 ( 8568 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7959 -35.7954 -35.7954 -35.5198 -35.5198 -35.5191 -35.5191 -35.4963 -35.4963 -35.4958 -35.4958 -5.7485 -5.7485 -5.0472 -5.0472 -4.0633 -4.0633 -4.0626 -4.0626 -1.2343 -1.2343 -0.9723 -0.9723 2.4331 2.4331 2.6449 2.6449 2.6468 2.6468 3.1909 3.1909 3.3091 3.3091 3.4062 3.4062 3.4075 3.4075 3.4874 3.4874 4.3017 4.3017 4.3146 4.3146 6.3220 6.3220 6.5936 6.5936 7.2445 7.2445 7.2470 7.2470 7.9403 7.9403 k = 0.4219 0.3381 0.0000 ( 8580 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7959 -35.7954 -35.7954 -35.5197 -35.5197 -35.5192 -35.5192 -35.4962 -35.4962 -35.4959 -35.4959 -5.6977 -5.6977 -5.1122 -5.1122 -4.0654 -4.0654 -4.0648 -4.0648 -1.2124 -1.2124 -0.9956 -0.9956 2.5009 2.5009 2.6747 2.6747 2.6765 2.6765 3.1976 3.1976 3.3426 3.3427 3.4099 3.4099 3.4130 3.4130 3.4328 3.4328 4.2876 4.2876 4.2985 4.2985 6.3166 6.3166 6.5365 6.5365 7.1833 7.1833 7.1854 7.1854 8.0090 8.0090 k = 0.4375 0.3506 0.0000 ( 8572 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5197 -35.5197 -35.5192 -35.5192 -35.4962 -35.4962 -35.4959 -35.4959 -5.6454 -5.6454 -5.1762 -5.1762 -4.0671 -4.0671 -4.0666 -4.0666 -1.1909 -1.1909 -1.0185 -1.0185 2.5714 2.5714 2.7008 2.7008 2.7024 2.7024 3.1678 3.1678 3.3706 3.3706 3.3997 3.3997 3.4165 3.4165 3.4206 3.4207 4.2774 4.2774 4.2862 4.2862 6.3140 6.3140 6.4855 6.4855 7.1320 7.1320 7.1337 7.1337 8.0758 8.0758 k = 0.4531 0.3632 0.0000 ( 8588 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4962 -35.4962 -35.4959 -35.4959 -5.5915 -5.5915 -5.2393 -5.2393 -4.0684 -4.0684 -4.0680 -4.0680 -1.1696 -1.1696 -1.0409 -1.0409 2.6440 2.6440 2.7223 2.7223 2.7240 2.7240 3.1079 3.1079 3.3921 3.3921 3.4013 3.4013 3.4180 3.4181 3.4204 3.4205 4.2706 4.2706 4.2772 4.2772 6.3150 6.3150 6.4411 6.4411 7.0914 7.0914 7.0927 7.0927 8.1410 8.1410 k = 0.4688 0.3757 0.0000 ( 8584 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7956 -35.7956 -35.5196 -35.5196 -35.5193 -35.5193 -35.4961 -35.4961 -35.4960 -35.4960 -5.5362 -5.5362 -5.3011 -5.3011 -4.0693 -4.0693 -4.0690 -4.0690 -1.1484 -1.1484 -1.0629 -1.0629 2.7162 2.7162 2.7384 2.7384 2.7429 2.7430 3.0344 3.0344 3.4063 3.4064 3.4105 3.4106 3.4187 3.4187 3.4204 3.4205 4.2666 4.2666 4.2710 4.2711 6.3207 6.3207 6.4035 6.4035 7.0620 7.0620 7.0629 7.0629 8.2047 8.2047 k = 0.4844 0.3882 0.0000 ( 8596 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4961 -35.4961 -35.4960 -35.4960 -5.4794 -5.4794 -5.3619 -5.3619 -4.0698 -4.0698 -4.0697 -4.0697 -1.1272 -1.1272 -1.0846 -1.0846 2.7465 2.7465 2.7482 2.7482 2.7998 2.7998 2.9563 2.9563 3.4137 3.4138 3.4156 3.4157 3.4211 3.4212 3.4216 3.4216 4.2649 4.2649 4.2671 4.2671 6.3319 6.3319 6.3729 6.3729 7.0443 7.0443 7.0447 7.0447 8.2670 8.2670 k = 0.5000 0.4007 0.0000 ( 8580 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7957 -35.5195 -35.5195 -35.5195 -35.5195 -35.4960 -35.4960 -35.4960 -35.4960 -5.4213 -5.4213 -5.4213 -5.4213 -4.0700 -4.0700 -4.0700 -4.0700 -1.1060 -1.1060 -1.1060 -1.1060 2.7511 2.7511 2.7511 2.7511 2.8773 2.8773 2.8773 2.8773 3.4157 3.4157 3.4158 3.4158 3.4230 3.4230 3.4231 3.4231 4.2651 4.2651 4.2651 4.2651 6.3491 6.3491 6.3491 6.3491 7.0385 7.0385 7.0385 7.0385 8.3280 8.3280 k = 0.5000 0.4007 0.0000 ( 8580 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7957 -35.5195 -35.5195 -35.5195 -35.5195 -35.4960 -35.4960 -35.4960 -35.4960 -5.4213 -5.4213 -5.4213 -5.4213 -4.0700 -4.0700 -4.0700 -4.0700 -1.1060 -1.1060 -1.1060 -1.1060 2.7511 2.7511 2.7511 2.7511 2.8773 2.8773 2.8773 2.8773 3.4157 3.4157 3.4158 3.4158 3.4230 3.4230 3.4231 3.4231 4.2651 4.2651 4.2651 4.2651 6.3491 6.3491 6.3491 6.3491 7.0385 7.0385 7.0385 7.0385 8.3280 8.3280 k = 0.4911 0.4119 0.0143 ( 8588 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7957 -35.5195 -35.5195 -35.5195 -35.5195 -35.4961 -35.4961 -35.4960 -35.4960 -5.4207 -5.4207 -5.4205 -5.4204 -4.0733 -4.0733 -4.0697 -4.0695 -1.1060 -1.1057 -1.1019 -1.1019 2.7211 2.7281 2.7491 2.7493 2.8648 2.8651 2.8980 2.9047 3.3948 3.3990 3.4135 3.4139 3.4222 3.4237 3.4490 3.4540 4.2625 4.2629 4.2676 4.2677 6.3519 6.3525 6.3549 6.3550 7.0409 7.0410 7.0437 7.0442 8.3300 8.3310 k = 0.4821 0.4230 0.0286 ( 8578 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7957 -35.5195 -35.5195 -35.5195 -35.5195 -35.4960 -35.4960 -35.4960 -35.4960 -5.4190 -5.4190 -5.4179 -5.4179 -4.0831 -4.0831 -4.0686 -4.0683 -1.1056 -1.1051 -1.0897 -1.0897 2.6667 2.6759 2.7417 2.7423 2.8324 2.8328 2.9424 2.9510 3.3766 3.3793 3.4050 3.4052 3.4243 3.4267 3.4936 3.4981 4.2551 4.2559 4.2751 4.2753 6.3609 6.3620 6.3723 6.3726 7.0482 7.0484 7.0597 7.0607 8.3344 8.3358 k = 0.4732 0.4342 0.0428 ( 8570 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5195 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.4162 -5.4161 -5.4136 -5.4136 -4.0992 -4.0992 -4.0668 -4.0664 -1.1050 -1.1043 -1.0697 -1.0697 2.6048 2.6147 2.7295 2.7303 2.7850 2.7858 2.9906 2.9996 3.3573 3.3584 3.3904 3.3905 3.4286 3.4321 3.5500 3.5537 4.2431 4.2443 4.2878 4.2882 6.3758 6.3774 6.4010 6.4014 7.0605 7.0608 7.0863 7.0878 8.3430 8.3450 k = 0.4643 0.4453 0.0571 ( 8564 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.4123 -5.4122 -5.4077 -5.4076 -4.1213 -4.1213 -4.0642 -4.0637 -1.1042 -1.1032 -1.0423 -1.0423 2.5399 2.5502 2.7122 2.7127 2.7285 2.7311 3.0373 3.0463 3.3341 3.3345 3.3699 3.3702 3.4349 3.4394 3.6148 3.6178 4.2266 4.2283 4.3057 4.3064 6.3964 6.3984 6.4406 6.4411 7.0777 7.0781 7.1231 7.1250 8.3552 8.3579 k = 0.4553 0.4565 0.0714 ( 8576 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5195 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.4074 -5.4072 -5.4000 -5.3999 -4.1488 -4.1488 -4.0609 -4.0603 -1.1032 -1.1019 -1.0079 -1.0079 2.4736 2.4842 2.6658 2.6666 2.6915 2.6951 3.0806 3.0896 3.3058 3.3075 3.3441 3.3447 3.4429 3.4486 3.6851 3.6876 4.2062 4.2083 4.3290 4.3299 6.4220 6.4246 6.4904 6.4911 7.0997 7.1003 7.1696 7.1719 8.3711 8.3745 k = 0.4464 0.4676 0.0857 ( 8580 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7956 -35.5195 -35.5195 -35.5195 -35.5194 -35.4961 -35.4960 -35.4960 -35.4960 -5.4015 -5.4014 -5.3907 -5.3905 -4.1812 -4.1812 -4.0569 -4.0561 -1.1020 -1.1005 -0.9674 -0.9674 2.4070 2.4177 2.6026 2.6027 2.6658 2.6688 3.1201 3.1290 3.2736 3.2764 3.3135 3.3143 3.4526 3.4594 3.7587 3.7608 4.1822 4.1849 4.3576 4.3589 6.4523 6.4554 6.5497 6.5505 7.1265 7.1272 7.2252 7.2277 8.3908 8.3948 k = 0.4375 0.4787 0.1000 ( 8566 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5195 -35.5194 -35.4961 -35.4960 -35.4960 -35.4960 -5.3948 -5.3946 -5.3797 -5.3795 -4.2178 -4.2178 -4.0522 -4.0513 -1.1008 -1.0990 -0.9213 -0.9213 2.3406 2.3514 2.5380 2.5384 2.6358 2.6389 3.1554 3.1643 3.2376 3.2416 3.2785 3.2796 3.4638 3.4717 3.8342 3.8358 4.1553 4.1585 4.3913 4.3929 6.4867 6.4903 6.6178 6.6187 7.1580 7.1589 7.2891 7.2919 8.4145 8.4191 k = 0.4285 0.4899 0.1143 ( 8574 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7956 -35.5196 -35.5195 -35.5195 -35.5194 -35.4961 -35.4961 -35.4960 -35.4960 -5.3873 -5.3872 -5.3670 -5.3668 -4.2579 -4.2579 -4.0467 -4.0458 -1.0996 -1.0976 -0.8704 -0.8704 2.2751 2.2860 2.4741 2.4748 2.6020 2.6052 3.1838 3.1950 3.1988 3.2064 3.2398 3.2412 3.4763 3.4853 3.9102 3.9115 4.1260 4.1300 4.4296 4.4315 6.5245 6.5286 6.6937 6.6949 7.1941 7.1950 7.3605 7.3635 8.4423 8.4475 k = 0.4196 0.5010 0.1285 ( 8574 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7957 -35.7956 -35.5196 -35.5195 -35.5195 -35.5194 -35.4961 -35.4961 -35.4960 -35.4960 -5.3794 -5.3792 -5.3527 -5.3524 -4.3009 -4.3009 -4.0407 -4.0396 -1.0985 -1.0963 -0.8157 -0.8156 2.2108 2.2218 2.4119 2.4128 2.5647 2.5680 3.1559 3.1589 3.1972 3.1996 3.2174 3.2236 3.4899 3.4999 3.9859 3.9869 4.0954 4.1001 4.4719 4.4741 6.5652 6.5697 6.7768 6.7781 7.2345 7.2356 7.4387 7.4417 8.4745 8.4801 k = 0.4107 0.5122 0.1428 ( 8568 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7957 -35.7956 -35.5196 -35.5195 -35.5194 -35.5193 -35.4961 -35.4961 -35.4960 -35.4960 -5.3712 -5.3710 -5.3367 -5.3365 -4.3460 -4.3460 -4.0339 -4.0327 -1.0977 -1.0952 -0.7579 -0.7578 2.1482 2.1592 2.3523 2.3532 2.5242 2.5276 3.1112 3.1152 3.1530 3.1556 3.2407 3.2468 3.5044 3.5155 4.0566 4.0576 4.0690 4.0728 4.5174 4.5199 6.6082 6.6131 6.8661 6.8675 7.2790 7.2803 7.5226 7.5256 8.5112 8.5174 k = 0.4017 0.5233 0.1571 ( 8548 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7955 -35.5196 -35.5195 -35.5194 -35.5193 -35.4961 -35.4961 -35.4959 -35.4959 -5.3629 -5.3627 -5.3192 -5.3189 -4.3924 -4.3923 -4.0266 -4.0253 -1.0972 -1.0946 -0.6979 -0.6978 2.0877 2.0987 2.2958 2.2968 2.4811 2.4844 3.0642 3.0687 3.1068 3.1098 3.2608 3.2661 3.5198 3.5317 4.0326 4.0392 4.1348 4.1352 4.5653 4.5680 6.6529 6.6582 6.9608 6.9623 7.3273 7.3287 7.6113 7.6143 8.5530 8.5595 k = 0.3928 0.5345 0.1714 ( 8546 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7955 -35.5196 -35.5195 -35.5194 -35.5193 -35.4961 -35.4961 -35.4959 -35.4959 -5.3550 -5.3548 -5.3001 -5.2998 -4.4392 -4.4391 -4.0187 -4.0172 -1.0973 -1.0944 -0.6367 -0.6365 2.0296 2.0406 2.2432 2.2442 2.4356 2.4389 3.0154 3.0201 3.0593 3.0629 3.2768 3.2812 3.5358 3.5483 4.0039 4.0116 4.2056 4.2058 4.6145 4.6175 6.6989 6.7046 7.0600 7.0617 7.3790 7.3805 7.7038 7.7065 8.6002 8.6069 k = 0.3839 0.5456 0.1857 ( 8539 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7955 -35.5196 -35.5195 -35.5194 -35.5193 -35.4961 -35.4961 -35.4959 -35.4959 -5.3478 -5.3476 -5.2795 -5.2791 -4.4857 -4.4856 -4.0102 -4.0087 -1.0980 -1.0949 -0.5750 -0.5748 1.9742 1.9852 2.1950 2.1961 2.3884 2.3915 2.9651 2.9698 3.0114 3.0155 3.2881 3.2914 3.5522 3.5652 3.9784 3.9873 4.2736 4.2737 4.6641 4.6673 6.7457 6.7518 7.1628 7.1646 7.4337 7.4353 7.7989 7.8012 8.6534 8.6602 k = 0.3750 0.5568 0.2000 ( 8553 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7955 -35.5197 -35.5195 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.3420 -5.3418 -5.2573 -5.2569 -4.5309 -4.5307 -4.0012 -3.9995 -1.0994 -1.0962 -0.5140 -0.5137 1.9219 1.9329 2.1520 2.1529 2.3397 2.3428 2.9137 2.9183 2.9634 2.9682 3.2940 3.2960 3.5691 3.5822 3.9578 3.9679 4.3381 4.3385 4.7132 4.7165 6.7930 6.7994 7.2683 7.2702 7.4908 7.4924 7.8954 7.8972 8.7131 8.7197 k = 0.3660 0.5679 0.2142 ( 8547 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5197 -35.5195 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.3383 -5.3381 -5.2337 -5.2333 -4.5737 -4.5736 -3.9917 -3.9900 -1.1018 -1.0984 -0.4544 -0.4540 1.8730 1.8839 2.1145 2.1154 2.2902 2.2931 2.8615 2.8660 2.9161 2.9213 3.2936 3.2940 3.5865 3.5993 3.9437 3.9547 4.3985 4.3992 4.7608 4.7641 6.8404 6.8472 7.3753 7.3772 7.5498 7.5514 7.9921 7.9931 8.7801 8.7862 k = 0.3571 0.5790 0.2285 ( 8535 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7954 -35.5197 -35.5195 -35.5193 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.3373 -5.3371 -5.2086 -5.2081 -4.6132 -4.6130 -3.9818 -3.9799 -1.1053 -1.1018 -0.3972 -0.3967 1.8277 1.8385 2.0834 2.0841 2.2401 2.2429 2.8090 2.8134 2.8696 2.8753 3.2848 3.2859 3.6047 3.6168 3.9371 3.9487 4.4543 4.4553 4.8059 4.8093 6.8877 6.8948 7.4825 7.4844 7.6103 7.6117 8.0876 8.0878 8.8302 8.8404 k = 0.3482 0.5902 0.2428 ( 8539 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7954 -35.5197 -35.5196 -35.5193 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.3401 -5.3399 -5.1821 -5.1816 -4.6481 -4.6478 -3.9714 -3.9695 -1.1100 -1.1064 -0.3433 -0.3426 1.7862 1.7968 2.0589 2.0593 2.1899 2.1925 2.7567 2.7610 2.8243 2.8305 3.2681 3.2707 3.6238 3.6349 3.9385 3.9502 4.5049 4.5062 4.8478 4.8511 6.9347 6.9420 7.5884 7.5902 7.6715 7.6727 8.1800 8.1808 8.8616 8.8717 k = 0.3392 0.6013 0.2571 ( 8529 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7954 -35.5197 -35.5196 -35.5193 -35.5191 -35.4962 -35.4961 -35.4958 -35.4958 -5.3474 -5.3472 -5.1543 -5.1538 -4.6774 -4.6771 -3.9607 -3.9586 -1.1161 -1.1123 -0.2936 -0.2927 1.7488 1.7592 2.0414 2.0415 2.1399 2.1423 2.7054 2.7095 2.7805 2.7870 3.2443 3.2481 3.6441 3.6540 3.9477 3.9592 4.5495 4.5511 4.8855 4.8888 6.9811 6.9887 7.6909 7.6926 7.7330 7.7339 8.2689 8.2707 8.8882 8.8980 k = 0.3303 0.6125 0.2714 ( 8529 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5192 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3600 -5.3599 -5.1251 -5.1246 -4.7002 -4.6998 -3.9496 -3.9475 -1.1237 -1.1198 -0.2488 -0.2477 1.7157 1.7259 2.0306 2.0310 2.0904 2.0927 2.6556 2.6595 2.7385 2.7453 3.2140 3.2188 3.6658 3.6744 3.9639 3.9749 4.5876 4.5895 4.9182 4.9215 7.0270 7.0348 7.7870 7.7891 7.7943 7.7955 8.3539 8.3567 8.9114 8.9207 k = 0.3303 0.6125 0.2714 ( 8529 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5192 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3600 -5.3599 -5.1251 -5.1246 -4.7002 -4.6998 -3.9496 -3.9475 -1.1237 -1.1198 -0.2488 -0.2477 1.7157 1.7259 2.0306 2.0310 2.0904 2.0927 2.6556 2.6595 2.7385 2.7453 3.2140 3.2188 3.6658 3.6744 3.9639 3.9749 4.5876 4.5895 4.9182 4.9215 7.0270 7.0348 7.7870 7.7891 7.7943 7.7955 8.3539 8.3567 8.9114 8.9207 k = 0.3119 0.6069 0.2785 ( 8533 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5192 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3725 -5.3724 -5.1073 -5.1068 -4.7065 -4.7061 -3.9443 -3.9421 -1.1289 -1.1250 -0.2282 -0.2271 1.6990 1.7089 2.0275 2.0305 2.0638 2.0672 2.6301 2.6339 2.7189 2.7258 3.2029 3.2078 3.6741 3.6821 3.9742 3.9849 4.5966 4.5986 4.9381 4.9411 7.0532 7.0611 7.8226 7.8253 7.8321 7.8354 8.3962 8.3996 8.9207 8.9296 k = 0.2936 0.6013 0.2856 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5192 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3915 -5.3914 -5.0877 -5.0872 -4.7052 -4.7047 -3.9394 -3.9372 -1.1361 -1.1323 -0.2086 -0.2073 1.6810 1.6907 2.0110 2.0164 2.0499 2.0546 2.6007 2.6042 2.7035 2.7102 3.2024 3.2070 3.6767 3.6844 3.9856 3.9960 4.5917 4.5934 4.9644 4.9670 7.0860 7.0941 7.8535 7.8562 7.8721 7.8762 8.4396 8.4436 8.9279 8.9363 k = 0.2752 0.5958 0.2928 ( 8528 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7954 -35.7953 -35.5198 -35.5197 -35.5192 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.4134 -5.4132 -5.0711 -5.0707 -4.6952 -4.6946 -3.9353 -3.9331 -1.1453 -1.1415 -0.1899 -0.1886 1.6638 1.6732 1.9733 1.9773 2.0588 2.0618 2.5648 2.5677 2.6963 2.7027 3.2115 3.2155 3.6737 3.6814 3.9979 4.0082 4.5768 4.5782 4.9917 4.9938 7.1254 7.1338 7.8790 7.8810 7.9157 7.9202 8.4829 8.4878 8.9349 8.9428 k = 0.2569 0.5902 0.2999 ( 8533 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7954 -35.7953 -35.5198 -35.5197 -35.5192 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.4361 -5.4360 -5.0601 -5.0597 -4.6760 -4.6753 -3.9320 -3.9298 -1.1562 -1.1525 -0.1722 -0.1708 1.6483 1.6575 1.9281 1.9316 2.0717 2.0742 2.5231 2.5252 2.6986 2.7046 3.2278 3.2312 3.6655 3.6733 4.0113 4.0214 4.5554 4.5564 5.0156 5.0175 7.1713 7.1800 7.8982 7.8995 7.9646 7.9695 8.5258 8.5315 8.9432 8.9505 k = 0.2385 0.5846 0.3070 ( 8544 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7959 -35.7954 -35.7953 -35.5199 -35.5197 -35.5191 -35.5190 -35.4963 -35.4962 -35.4958 -35.4958 -5.4586 -5.4585 -5.0549 -5.0546 -4.6486 -4.6478 -3.9298 -3.9275 -1.1688 -1.1652 -0.1553 -0.1538 1.6354 1.6445 1.8799 1.8832 2.0839 2.0867 2.4795 2.4806 2.7087 2.7144 3.2495 3.2521 3.6527 3.6607 4.0260 4.0360 4.5296 4.5303 5.0332 5.0352 7.2232 7.2323 7.9126 7.9133 8.0181 8.0238 8.5683 8.5747 8.9536 8.9604 k = 0.2202 0.5791 0.3142 ( 8540 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7959 -35.7954 -35.7953 -35.5199 -35.5198 -35.5191 -35.5190 -35.4963 -35.4963 -35.4958 -35.4957 -5.4804 -5.4803 -5.0547 -5.0544 -4.6146 -4.6137 -3.9287 -3.9264 -1.1827 -1.1792 -0.1392 -0.1378 1.6255 1.6344 1.8308 1.8340 2.0922 2.0958 2.4382 2.4386 2.7248 2.7301 3.2744 3.2763 3.6363 3.6445 4.0421 4.0521 4.5006 4.5013 5.0430 5.0454 7.2809 7.2903 7.9235 7.9240 8.0755 8.0821 8.6108 8.6177 8.9663 8.9726 k = 0.2018 0.5735 0.3213 ( 8546 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7959 -35.7954 -35.7952 -35.5199 -35.5198 -35.5191 -35.5190 -35.4963 -35.4963 -35.4957 -35.4957 -5.5009 -5.5008 -5.0582 -5.0579 -4.5759 -4.5749 -3.9290 -3.9266 -1.1976 -1.1943 -0.1240 -0.1226 1.6184 1.6274 1.7822 1.7855 2.0934 2.0980 2.4028 2.4044 2.7454 2.7505 3.3006 3.3020 3.6173 3.6258 4.0602 4.0701 4.4695 4.4700 5.0444 5.0471 7.3434 7.3533 7.9321 7.9328 8.1356 8.1433 8.6535 8.6610 8.9815 8.9872 k = 0.1835 0.5680 0.3284 ( 8539 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7959 -35.7953 -35.7952 -35.5199 -35.5198 -35.5191 -35.5190 -35.4963 -35.4963 -35.4957 -35.4957 -5.5201 -5.5200 -5.0639 -5.0636 -4.5344 -4.5332 -3.9307 -3.9283 -1.2132 -1.2101 -0.1096 -0.1082 1.6142 1.6234 1.7353 1.7389 2.0843 2.0901 2.3781 2.3810 2.7695 2.7744 3.3261 3.3273 3.5975 3.6062 4.0802 4.0900 4.4368 4.4373 5.0373 5.0404 7.4101 7.4203 7.9394 7.9404 8.1973 8.2060 8.6966 8.7046 8.9992 9.0043 k = 0.1651 0.5624 0.3356 ( 8537 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7960 -35.7960 -35.7953 -35.7952 -35.5199 -35.5198 -35.5190 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5377 -5.5376 -5.0709 -5.0706 -4.4914 -4.4901 -3.9340 -3.9317 -1.2291 -1.2262 -0.0960 -0.0947 1.6122 1.6220 1.6912 1.6955 2.0642 2.0706 2.3658 2.3694 2.7964 2.8012 3.3477 3.3494 3.5797 3.5885 4.1023 4.1121 4.4031 4.4037 5.0222 5.0258 7.4797 7.4903 7.9462 7.9476 8.2590 8.2689 8.7397 8.7482 9.0193 9.0238 k = 0.1468 0.5568 0.3427 ( 8538 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7953 -35.7952 -35.5199 -35.5198 -35.5190 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5536 -5.5535 -5.0784 -5.0782 -4.4480 -4.4467 -3.9391 -3.9368 -1.2449 -1.2422 -0.0833 -0.0821 1.6103 1.6217 1.6519 1.6579 2.0350 2.0417 2.3641 2.3679 2.8257 2.8304 3.3616 3.3640 3.5679 3.5764 4.1263 4.1361 4.3689 4.3697 5.0002 5.0040 7.5508 7.5618 7.9531 7.9548 8.3189 8.3298 8.7821 8.7911 9.0418 9.0457 k = 0.1284 0.5513 0.3498 ( 8528 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7952 -35.5199 -35.5199 -35.5190 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5677 -5.5677 -5.0858 -5.0856 -4.4053 -4.4040 -3.9459 -3.9436 -1.2601 -1.2577 -0.0717 -0.0705 1.5989 1.6065 1.6336 1.6366 2.0004 2.0071 2.3693 2.3729 2.8568 2.8615 3.3633 3.3663 3.5667 3.5744 4.1518 4.1617 4.3350 4.3362 4.9725 4.9765 7.6214 7.6326 7.9610 7.9630 8.3749 8.3867 8.8228 8.8321 9.0667 9.0699 k = 0.1101 0.5457 0.3570 ( 8532 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7952 -35.5199 -35.5199 -35.5190 -35.5189 -35.4964 -35.4963 -35.4957 -35.4957 -5.5801 -5.5800 -5.0928 -5.0927 -4.3642 -4.3628 -3.9544 -3.9522 -1.2743 -1.2722 -0.0611 -0.0601 1.5728 1.5755 1.6353 1.6386 1.9637 1.9702 2.3780 2.3813 2.8895 2.8941 3.3513 3.3550 3.5775 3.5839 4.1774 4.1875 4.3028 4.3047 4.9406 4.9447 7.6890 7.7002 7.9709 7.9731 8.4248 8.4372 8.8606 8.8700 9.0935 9.0962 k = 0.0917 0.5401 0.3641 ( 8528 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7952 -35.5199 -35.5199 -35.5189 -35.5189 -35.4964 -35.4963 -35.4957 -35.4956 -5.5906 -5.5905 -5.0991 -5.0989 -4.3253 -4.3239 -3.9645 -3.9624 -1.2871 -1.2853 -0.0518 -0.0510 1.5459 1.5472 1.6426 1.6469 1.9272 1.9334 2.3878 2.3906 2.9233 2.9279 3.3288 3.3329 3.5966 3.6017 4.1989 4.2096 4.2764 4.2796 4.9065 4.9105 7.7501 7.7608 7.9844 7.9865 8.4666 8.4791 8.8942 8.9033 9.1214 9.1237 k = 0.0734 0.5346 0.3712 ( 8530 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7952 -35.5200 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4957 -35.4956 -5.5992 -5.5992 -5.1044 -5.1043 -4.2898 -4.2884 -3.9757 -3.9737 -1.2981 -1.2967 -0.0439 -0.0432 1.5226 1.5234 1.6527 1.6574 1.8928 1.8987 2.3973 2.3996 2.9578 2.9622 3.2999 3.3044 3.6195 3.6234 4.2046 4.2130 4.2705 4.2727 4.8722 4.8760 7.8007 7.8101 8.0034 8.0048 8.4989 8.5109 8.9225 8.9307 9.1490 9.1509 k = 0.0550 0.5290 0.3784 ( 8532 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7952 -35.5200 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6060 -5.6059 -5.1087 -5.1086 -4.2587 -4.2575 -3.9872 -3.9855 -1.3070 -1.3060 -0.0376 -0.0371 1.5041 1.5046 1.6645 1.6690 1.8620 1.8672 2.4054 2.4072 2.9919 2.9962 3.2685 3.2729 3.6419 3.6449 4.1911 4.1957 4.2860 4.2877 4.8405 4.8438 7.8378 7.8449 8.0278 8.0281 8.5216 8.5321 8.9448 8.9516 9.1741 9.1757 k = 0.0367 0.5234 0.3855 ( 8534 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7952 -35.5200 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6108 -5.6108 -5.1118 -5.1118 -4.2338 -4.2328 -3.9978 -3.9965 -1.3136 -1.3128 -0.0330 -0.0326 1.4907 1.4910 1.6767 1.6805 1.8365 1.8408 2.4116 2.4128 3.0240 3.0278 3.2379 3.2418 3.6610 3.6629 4.1743 4.1769 4.3047 4.3066 4.8144 4.8168 7.8613 7.8658 8.0525 8.0532 8.5358 8.5438 8.9607 8.9655 9.1944 9.1956 k = 0.0183 0.5179 0.3926 ( 8535 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7952 -35.5200 -35.5200 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6137 -5.6137 -5.1137 -5.1137 -4.2170 -4.2165 -4.0055 -4.0048 -1.3175 -1.3171 -0.0301 -0.0299 1.4826 1.4827 1.6871 1.6894 1.8191 1.8217 2.4156 2.4162 3.0502 3.0527 3.2134 3.2160 3.6739 3.6749 4.1625 4.1637 4.3189 4.3200 4.7971 4.7985 7.8740 7.8761 8.0716 8.0722 8.5438 8.5481 8.9705 8.9730 9.2078 9.2085 k = 0.0000 0.5123 0.3998 ( 8536 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7952 -35.5200 -35.5200 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6147 -5.6147 -5.1143 -5.1143 -4.2109 -4.2109 -4.0081 -4.0081 -1.3187 -1.3187 -0.0291 -0.0291 1.4799 1.4799 1.6921 1.6921 1.8136 1.8136 2.4171 2.4171 3.0621 3.0621 3.2041 3.2041 3.6788 3.6788 4.1586 4.1586 4.3245 4.3245 4.7915 4.7915 7.8786 7.8786 8.0790 8.0790 8.5476 8.5476 8.9745 8.9745 9.2127 9.2127 k = 0.0000 0.5123 0.3998 ( 8536 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7952 -35.5200 -35.5200 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6147 -5.6147 -5.1143 -5.1143 -4.2109 -4.2109 -4.0081 -4.0081 -1.3187 -1.3187 -0.0291 -0.0291 1.4799 1.4799 1.6921 1.6921 1.8136 1.8136 2.4171 2.4171 3.0621 3.0621 3.2041 3.2041 3.6788 3.6788 4.1586 4.1586 4.3245 4.3245 4.7915 4.7915 7.8786 7.8786 8.0790 8.0790 8.5476 8.5476 8.9745 8.9745 9.2127 9.2127 k = 0.0089 0.5012 0.4140 ( 8530 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7952 -35.5200 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6138 -5.6138 -5.1137 -5.1137 -4.2120 -4.2120 -4.0089 -4.0089 -1.3189 -1.3188 -0.0322 -0.0321 1.4736 1.4741 1.6949 1.6951 1.8217 1.8218 2.4108 2.4110 3.0651 3.0652 3.2081 3.2093 3.6798 3.6798 4.1598 4.1599 4.3252 4.3263 4.7914 4.7917 7.8760 7.8761 8.0720 8.0730 8.5474 8.5478 8.9679 8.9681 9.2159 9.2164 k = 0.0179 0.4900 0.4283 ( 8528 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7951 -35.5200 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6114 -5.6113 -5.1118 -5.1118 -4.2153 -4.2153 -4.0112 -4.0111 -1.3194 -1.3192 -0.0414 -0.0412 1.4565 1.4575 1.7033 1.7036 1.8448 1.8450 2.3925 2.3928 3.0740 3.0742 3.2205 3.2230 3.6828 3.6830 4.1635 4.1637 4.3286 4.3306 4.7913 4.7919 7.8685 7.8687 8.0523 8.0544 8.5473 8.5479 8.9494 8.9497 9.2249 9.2259 k = 0.0268 0.4789 0.4426 ( 8532 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7961 -35.7952 -35.7951 -35.5200 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6072 -5.6072 -5.1087 -5.1086 -4.2208 -4.2208 -4.0151 -4.0149 -1.3201 -1.3199 -0.0564 -0.0561 1.4315 1.4327 1.7169 1.7173 1.8800 1.8801 2.3643 2.3647 3.0885 3.0888 3.2400 3.2435 3.6879 3.6882 4.1694 4.1697 4.3347 4.3377 4.7913 4.7922 7.8562 7.8565 8.0212 8.0243 8.5473 8.5482 8.9211 8.9214 9.2375 9.2388 k = 0.0357 0.4677 0.4569 ( 8524 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7951 -35.5200 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.6015 -5.6014 -5.1043 -5.1042 -4.2285 -4.2284 -4.0204 -4.0202 -1.3210 -1.3206 -0.0768 -0.0763 1.4012 1.4026 1.7350 1.7356 1.9245 1.9247 2.3288 2.3291 3.1082 3.1086 3.2644 3.2689 3.6951 3.6955 4.1770 4.1774 4.3437 4.3478 4.7912 4.7924 7.8393 7.8398 7.9803 7.9843 8.5477 8.5489 8.8852 8.8854 9.2515 9.2531 k = 0.0446 0.4566 0.4711 ( 8518 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7951 -35.5199 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.5941 -5.5940 -5.0987 -5.0986 -4.2382 -4.2381 -4.0272 -4.0270 -1.3219 -1.3214 -0.1018 -0.1013 1.3675 1.3690 1.7564 1.7570 1.9762 1.9768 2.2891 2.2892 3.1323 3.1327 3.2919 3.2973 3.7044 3.7049 4.1858 4.1864 4.3558 4.3609 4.7909 4.7923 7.8183 7.8188 7.9315 7.9363 8.5489 8.5503 8.8433 8.8435 9.2653 9.2671 k = 0.0536 0.4455 0.4854 ( 8526 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7951 -35.5199 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.5850 -5.5850 -5.0920 -5.0919 -4.2499 -4.2498 -4.0355 -4.0352 -1.3225 -1.3220 -0.1310 -0.1304 1.3318 1.3333 1.7791 1.7796 2.0339 2.0349 2.2487 2.2489 3.1602 3.1606 3.3206 3.3268 3.7157 3.7163 4.1954 4.1960 4.3711 4.3772 4.7902 4.7919 7.7935 7.7942 7.8766 7.8823 8.5511 8.5527 8.7969 8.7970 9.2779 9.2792 k = 0.0625 0.4343 0.4997 ( 8522 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7951 -35.5199 -35.5199 -35.5189 -35.5189 -35.4964 -35.4964 -35.4956 -35.4956 -5.5744 -5.5744 -5.0842 -5.0840 -4.2636 -4.2634 -4.0453 -4.0450 -1.3228 -1.3222 -0.1637 -0.1630 1.2948 1.2963 1.7994 1.7999 2.0964 2.0980 2.2124 2.2129 3.1911 3.1914 3.3493 3.3562 3.7291 3.7299 4.2051 4.2058 4.3896 4.3966 4.7889 4.7909 7.7653 7.7662 7.8175 7.8239 8.5545 8.5563 8.7469 8.7469 9.2419 9.2431 k = 0.0714 0.4232 0.5140 ( 8522 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7951 -35.5199 -35.5199 -35.5190 -35.5189 -35.4963 -35.4963 -35.4956 -35.4956 -5.5622 -5.5622 -5.0753 -5.0751 -4.2791 -4.2789 -4.0565 -4.0561 -1.3226 -1.3219 -0.1992 -0.1985 1.2573 1.2588 1.8121 1.8124 2.1630 2.1652 2.1865 2.1875 3.2243 3.2243 3.3770 3.3845 3.7446 3.7456 4.2146 4.2153 4.4110 4.4187 4.7869 4.7891 7.7342 7.7354 7.7561 7.7631 8.5594 8.5615 8.6943 8.6945 9.1957 9.1969 k = 0.0804 0.4120 0.5282 ( 8524 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7952 -35.7952 -35.5199 -35.5198 -35.5190 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5485 -5.5484 -5.0655 -5.0653 -4.2962 -4.2961 -4.0692 -4.0687 -1.3215 -1.3208 -0.2370 -0.2363 1.2198 1.2213 1.8106 1.8107 2.1779 2.1797 2.2332 2.2360 3.2587 3.2589 3.4031 3.4112 3.7621 3.7633 4.2239 4.2244 4.4345 4.4429 4.7837 4.7863 7.6910 7.6975 7.7034 7.7060 8.5658 8.5682 8.6401 8.6405 9.1499 9.1512 k = 0.0893 0.4009 0.5425 ( 8530 PWs) bands (ev): -68.8463 -68.8463 -68.8462 -68.8462 -35.7961 -35.7960 -35.7953 -35.7952 -35.5199 -35.5198 -35.5190 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5332 -5.5332 -5.0548 -5.0546 -4.3149 -4.3148 -4.0832 -4.0827 -1.3195 -1.3187 -0.2766 -0.2758 1.1830 1.1844 1.7913 1.7915 2.1910 2.1933 2.3059 2.3094 3.2937 3.2943 3.4272 3.4359 3.7816 3.7831 4.2327 4.2330 4.4595 4.4684 4.7792 4.7820 7.6288 7.6372 7.6681 7.6697 8.5735 8.5761 8.5859 8.5863 9.1040 9.1054 k = 0.0982 0.3898 0.5568 ( 8526 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7961 -35.7959 -35.7953 -35.7952 -35.5199 -35.5198 -35.5190 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.5165 -5.5164 -5.0434 -5.0431 -4.3350 -4.3348 -4.0985 -4.0980 -1.3163 -1.3155 -0.3175 -0.3166 1.1472 1.1486 1.7565 1.7569 2.2237 2.2264 2.3807 2.3849 3.3287 3.3298 3.4490 3.4583 3.8031 3.8049 4.2412 4.2412 4.4849 4.4942 4.7730 4.7761 7.5669 7.5760 7.6325 7.6342 8.5298 8.5305 8.5846 8.5878 9.0573 9.0590 k = 0.1071 0.3786 0.5711 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7959 -35.7953 -35.7952 -35.5199 -35.5198 -35.5190 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.4983 -5.4982 -5.0314 -5.0312 -4.3561 -4.3560 -4.1151 -4.1145 -1.3119 -1.3109 -0.3593 -0.3585 1.1129 1.1143 1.7114 1.7118 2.2709 2.2739 2.4569 2.4620 3.3633 3.3648 3.4686 3.4783 3.8264 3.8285 4.2489 4.2493 4.5098 4.5194 4.7648 4.7682 7.5068 7.5165 7.5964 7.5982 8.4755 8.4765 8.5966 8.6004 9.0092 9.0114 k = 0.1161 0.3675 0.5854 ( 8518 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7959 -35.7953 -35.7952 -35.5199 -35.5197 -35.5191 -35.5189 -35.4963 -35.4963 -35.4957 -35.4957 -5.4787 -5.4786 -5.0191 -5.0188 -4.3781 -4.3780 -4.1329 -4.1323 -1.3059 -1.3049 -0.4018 -0.4009 1.0805 1.0818 1.6604 1.6606 2.3283 2.3316 2.5339 2.5398 3.3968 3.3988 3.4857 3.4959 3.8516 3.8540 4.2563 4.2571 4.5332 4.5431 4.7544 4.7581 7.4494 7.4597 7.5601 7.5621 8.4225 8.4237 8.6104 8.6150 8.9594 8.9622 k = 0.1250 0.3563 0.5996 ( 8514 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7959 -35.7953 -35.7952 -35.5198 -35.5197 -35.5191 -35.5190 -35.4962 -35.4962 -35.4957 -35.4957 -5.4578 -5.4577 -5.0067 -5.0064 -4.4006 -4.4004 -4.1519 -4.1513 -1.2983 -1.2973 -0.4446 -0.4437 1.0504 1.0517 1.6062 1.6063 2.3929 2.3964 2.6111 2.6179 3.4288 3.4314 3.5004 3.5112 3.8785 3.8811 4.2634 4.2648 4.5542 4.5643 4.7414 4.7455 7.3955 7.4063 7.5238 7.5261 8.3715 8.3728 8.6249 8.6307 8.9086 8.9125 k = 0.1339 0.3452 0.6139 ( 8524 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7959 -35.7954 -35.7952 -35.5198 -35.5197 -35.5191 -35.5190 -35.4962 -35.4962 -35.4958 -35.4957 -5.4356 -5.4355 -4.9945 -4.9942 -4.4232 -4.4230 -4.1719 -4.1713 -1.2890 -1.2880 -0.4875 -0.4866 1.0229 1.0242 1.5508 1.5508 2.4627 2.4664 2.6878 2.6956 3.4589 3.4619 3.5128 3.5240 3.9071 3.9098 4.2703 4.2722 4.5720 4.5823 4.7257 4.7301 7.3455 7.3569 7.4879 7.4905 8.3230 8.3245 8.6372 8.6446 8.8605 8.8658 k = 0.1429 0.3340 0.6282 ( 8528 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7954 -35.7952 -35.5198 -35.5197 -35.5191 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.4121 -5.4120 -4.9829 -4.9826 -4.4454 -4.4453 -4.1929 -4.1923 -1.2779 -1.2769 -0.5304 -0.5295 0.9983 0.9996 1.4952 1.4953 2.5362 2.5403 2.7634 2.7722 3.4866 3.4899 3.5230 3.5346 3.9372 3.9399 4.2772 4.2796 4.5860 4.5963 4.7071 4.7120 7.3001 7.3119 7.4526 7.4556 8.2775 8.2792 8.6398 8.6484 8.8243 8.8310 k = 0.1518 0.3229 0.6425 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7954 -35.7953 -35.5198 -35.5197 -35.5192 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.3875 -5.3874 -4.9724 -4.9722 -4.4666 -4.4665 -4.2148 -4.2141 -1.2650 -1.2639 -0.5732 -0.5722 0.9769 0.9782 1.4403 1.4405 2.6126 2.6168 2.8372 2.8471 3.5114 3.5143 3.5315 3.5429 3.9688 3.9713 4.2839 4.2870 4.5955 4.6059 4.6857 4.6911 7.2595 7.2717 7.4181 7.4214 8.2356 8.2375 8.6210 8.6290 8.8149 8.8209 k = 0.1607 0.3118 0.6567 ( 8544 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7960 -35.7958 -35.7954 -35.7953 -35.5198 -35.5196 -35.5192 -35.5190 -35.4962 -35.4962 -35.4958 -35.4958 -5.3618 -5.3617 -4.9637 -4.9634 -4.4862 -4.4861 -4.2375 -4.2368 -1.2501 -1.2490 -0.6156 -0.6146 0.9590 0.9602 1.3868 1.3871 2.6907 2.6953 2.9087 2.9198 3.5305 3.5323 3.5423 3.5495 4.0018 4.0040 4.2906 4.2944 4.6002 4.6107 4.6616 4.6676 7.2241 7.2365 7.3846 7.3883 8.1977 8.1997 8.5801 8.5859 8.8341 8.8379 k = 0.1696 0.3006 0.6710 ( 8548 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5192 -35.5191 -35.4962 -35.4962 -35.4958 -35.4958 -5.3351 -5.3350 -4.9574 -4.9572 -4.5033 -4.5033 -4.2608 -4.2601 -1.2333 -1.2322 -0.6575 -0.6565 0.9446 0.9459 1.3350 1.3354 2.7700 2.7748 2.9774 2.9895 3.5354 3.5457 3.5573 3.5579 4.0364 4.0380 4.2975 4.3019 4.5998 4.6100 4.6351 4.6420 7.1939 7.2065 7.3522 7.3564 8.1642 8.1664 8.5272 8.5312 8.8711 8.8732 k = 0.1786 0.2895 0.6853 ( 8550 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7958 -35.7955 -35.7953 -35.5198 -35.5196 -35.5193 -35.5191 -35.4962 -35.4962 -35.4959 -35.4958 -5.3076 -5.3074 -4.9543 -4.9541 -4.5171 -4.5171 -4.2846 -4.2839 -1.2146 -1.2135 -0.6990 -0.6980 0.9340 0.9352 1.2853 1.2858 2.8496 2.8546 3.0426 3.0558 3.5358 3.5489 3.5683 3.5707 4.0724 4.0732 4.3045 4.3095 4.5939 4.6028 4.6071 4.6159 7.1690 7.1817 7.3211 7.3258 8.1356 8.1378 8.4701 8.4728 8.9192 8.9201 k = 0.1875 0.2783 0.6996 ( 8546 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7953 -35.5197 -35.5196 -35.5193 -35.5191 -35.4961 -35.4961 -35.4959 -35.4959 -5.2793 -5.2791 -4.9551 -4.9549 -4.5269 -4.5268 -4.3088 -4.3081 -1.1940 -1.1928 -0.7398 -0.7388 0.9272 0.9285 1.2380 1.2386 2.9288 2.9340 3.1039 3.1181 3.5333 3.5474 3.5761 3.5784 4.1098 4.1099 4.3118 4.3176 4.5752 4.5816 4.5853 4.5971 7.1493 7.1620 7.2915 7.2967 8.1122 8.1145 8.4127 8.4145 8.9752 8.9753 k = 0.1964 0.2672 0.7138 ( 8544 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7955 -35.7954 -35.5197 -35.5195 -35.5193 -35.5191 -35.4961 -35.4961 -35.4959 -35.4959 -5.2503 -5.2502 -4.9603 -4.9602 -4.5320 -4.5318 -4.3332 -4.3325 -1.1715 -1.1703 -0.7799 -0.7788 0.9245 0.9257 1.1934 1.1941 3.0067 3.0121 3.1608 3.1760 3.5279 3.5427 3.5784 3.5801 4.1475 4.1488 4.3195 4.3260 4.5454 4.5529 4.5690 4.5804 7.1347 7.1473 7.2635 7.2693 8.0943 8.0967 8.3573 8.3583 9.0374 9.0378 k = 0.2054 0.2561 0.7281 ( 8554 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7959 -35.7957 -35.7956 -35.7954 -35.5197 -35.5195 -35.5194 -35.5191 -35.4961 -35.4961 -35.4959 -35.4959 -5.2210 -5.2208 -4.9702 -4.9701 -4.5322 -4.5319 -4.3576 -4.3570 -1.1471 -1.1460 -0.8192 -0.8181 0.9257 0.9269 1.1516 1.1524 3.0824 3.0881 3.2131 3.2291 3.5196 3.5350 3.5741 3.5750 4.1863 4.1889 4.3279 4.3352 4.5153 4.5236 4.5485 4.5595 7.1251 7.1374 7.2374 7.2439 8.0823 8.0847 8.3050 8.3054 9.1050 9.1059 k = 0.2143 0.2449 0.7424 ( 8536 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5197 -35.5195 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1913 -5.1912 -4.9845 -4.9845 -4.5276 -4.5272 -4.3818 -4.3812 -1.1210 -1.1198 -0.8575 -0.8565 0.9310 0.9321 1.1129 1.1137 3.1551 3.1609 3.2604 3.2770 3.5085 3.5245 3.5627 3.5628 4.2261 4.2299 4.3372 4.3452 4.4862 4.4951 4.5238 4.5344 7.1200 7.1321 7.2134 7.2204 8.0764 8.0787 8.2568 8.2570 9.1772 9.1784 k = 0.2232 0.2338 0.7567 ( 8526 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1616 -5.1615 -5.0029 -5.0029 -4.5185 -4.5181 -4.4056 -4.4049 -1.0931 -1.0920 -0.8949 -0.8938 0.9403 0.9414 1.0774 1.0783 3.2232 3.2292 3.3022 3.3192 3.4947 3.5113 3.5433 3.5442 4.2663 4.2714 4.3477 4.3564 4.4590 4.4684 4.4951 4.5054 7.1193 7.1310 7.1916 7.1993 8.0768 8.0790 8.2132 8.2138 9.2530 9.2543 k = 0.2321 0.2226 0.7709 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4960 -35.4960 -35.4959 -35.4959 -5.1322 -5.1321 -5.0247 -5.0246 -4.5057 -4.5052 -4.4286 -4.4280 -1.0637 -1.0625 -0.9312 -0.9301 0.9536 0.9547 1.0454 1.0463 3.2850 3.2912 3.3374 3.3546 3.4785 3.4959 3.5182 3.5194 4.3065 4.3125 4.3596 4.3691 4.4344 4.4442 4.4634 4.4730 7.1225 7.1338 7.1724 7.1806 8.0836 8.0856 8.1750 8.1760 9.3311 9.3326 k = 0.2411 0.2115 0.7852 ( 8516 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.1033 -5.1032 -5.0491 -5.0490 -4.4897 -4.4892 -4.4505 -4.4499 -1.0327 -1.0315 -0.9663 -0.9652 0.9708 0.9718 1.0168 1.0178 3.3362 3.3429 3.3628 3.3794 3.4614 3.4804 3.4925 3.4932 4.3452 4.3514 4.3725 4.3836 4.4131 4.4231 4.4301 4.4386 7.1291 7.1401 7.1562 7.1649 8.0968 8.0987 8.1428 8.1440 9.4103 9.4117 k = 0.2500 0.2004 0.7995 ( 8512 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0756 -5.0755 -5.0754 -5.0752 -4.4715 -4.4708 -4.4707 -4.4703 -1.0006 -0.9998 -0.9998 -0.9983 0.9918 0.9918 0.9920 0.9941 3.3631 3.3697 3.3697 3.3856 3.4513 3.4721 3.4801 3.4801 4.3751 4.3751 4.3766 4.4004 4.4018 4.4063 4.4063 4.4142 7.1354 7.1468 7.1468 7.1551 8.1154 8.1179 8.1179 8.1185 9.4840 9.4841 k = 0.2500 0.2004 0.7995 ( 8512 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0756 -5.0755 -5.0754 -5.0752 -4.4715 -4.4708 -4.4707 -4.4703 -1.0006 -0.9998 -0.9998 -0.9983 0.9918 0.9918 0.9920 0.9941 3.3631 3.3697 3.3697 3.3856 3.4513 3.4721 3.4801 3.4801 4.3751 4.3751 4.3766 4.4004 4.4018 4.4063 4.4063 4.4142 7.1354 7.1468 7.1468 7.1551 8.1154 8.1179 8.1179 8.1185 9.4840 9.4841 k = 0.2625 0.2104 0.7867 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0922 -5.0921 -5.0594 -5.0594 -4.4830 -4.4825 -4.4583 -4.4577 -1.0214 -1.0203 -0.9795 -0.9784 0.9809 0.9818 1.0082 1.0092 3.3437 3.3522 3.3527 3.3647 3.4658 3.4792 3.4916 3.4987 4.3483 4.3563 4.3624 4.3688 4.4177 4.4256 4.4423 4.4478 7.1290 7.1397 7.1505 7.1591 8.1042 8.1058 8.1318 8.1329 9.4199 9.4204 k = 0.2750 0.2204 0.7738 ( 8526 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4959 -35.4959 -5.1077 -5.1075 -5.0459 -5.0458 -4.4938 -4.4933 -4.4450 -4.4444 -1.0424 -1.0413 -0.9598 -0.9587 0.9768 0.9776 1.0277 1.0286 3.2936 3.3017 3.3276 3.3377 3.4759 3.4854 3.5248 3.5330 4.3205 4.3285 4.3382 4.3421 4.4388 4.4470 4.4933 4.5015 7.1141 7.1246 7.1569 7.1652 8.0964 8.0978 8.1477 8.1485 9.3552 9.3556 k = 0.2875 0.2304 0.7610 ( 8532 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4959 -35.4959 -5.1217 -5.1216 -5.0345 -5.0345 -4.5034 -4.5030 -4.4318 -4.4313 -1.0626 -1.0615 -0.9411 -0.9401 0.9790 0.9798 1.0502 1.0510 3.2347 3.2415 3.2953 3.3042 3.4826 3.4910 3.5550 3.5626 4.2958 4.3025 4.3187 4.3208 4.4588 4.4669 4.5519 4.5608 7.0937 7.1041 7.1634 7.1713 8.0932 8.0945 8.1650 8.1655 9.2950 9.2954 k = 0.3000 0.2404 0.7481 ( 8536 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4959 -35.4959 -5.1343 -5.1342 -5.0252 -5.0252 -4.5120 -4.5115 -4.4194 -4.4188 -1.0812 -1.0801 -0.9235 -0.9225 0.9870 0.9877 1.0755 1.0761 3.1722 3.1781 3.2564 3.2645 3.4881 3.4957 3.5769 3.5837 4.2739 4.2793 4.3034 4.3043 4.4775 4.4855 4.6156 4.6246 7.0690 7.0792 7.1696 7.1769 8.0947 8.0959 8.1838 8.1842 9.2399 9.2402 k = 0.3125 0.2505 0.7353 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4959 -35.4959 -5.1454 -5.1453 -5.0177 -5.0177 -4.5194 -4.5189 -4.4082 -4.4077 -1.0974 -1.0963 -0.9072 -0.9062 1.0001 1.0008 1.1032 1.1037 3.1081 3.1132 3.2128 3.2200 3.4919 3.4989 3.5904 3.5967 4.2540 4.2584 4.2914 4.2916 4.4950 4.5027 4.6826 4.6914 7.0410 7.0509 7.1754 7.1821 8.1010 8.1021 8.2046 8.2050 9.1900 9.1903 k = 0.3250 0.2605 0.7225 ( 8543 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1550 -5.1549 -5.0119 -5.0119 -4.5256 -4.5252 -4.3989 -4.3983 -1.1105 -1.1095 -0.8921 -0.8911 1.0175 1.0182 1.1328 1.1333 3.0438 3.0483 3.1659 3.1724 3.4938 3.5002 3.5968 3.6025 4.2356 4.2390 4.2817 4.2820 4.5113 4.5188 4.7507 4.7592 7.0113 7.0208 7.1808 7.1869 8.1121 8.1131 8.2275 8.2279 9.1457 9.1460 k = 0.3375 0.2705 0.7096 ( 8541 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1629 -5.1629 -5.0074 -5.0074 -4.5307 -4.5303 -4.3918 -4.3913 -1.1200 -1.1190 -0.8782 -0.8773 1.0386 1.0392 1.1639 1.1644 2.9805 2.9844 3.1174 3.1233 3.4934 3.4994 3.5974 3.6025 4.2180 4.2206 4.2736 4.2743 4.5268 4.5340 4.8176 4.8254 6.9815 6.9906 7.1858 7.1914 8.1281 8.1289 8.2525 8.2530 9.1071 9.1073 k = 0.3500 0.2805 0.6968 ( 8551 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1692 -5.1692 -5.0043 -5.0043 -4.5346 -4.5342 -4.3874 -4.3868 -1.1252 -1.1242 -0.8657 -0.8649 1.0624 1.0631 1.1958 1.1962 2.9195 2.9229 3.0685 3.0740 3.4906 3.4962 3.5933 3.5979 4.2008 4.2028 4.2665 4.2674 4.5416 4.5485 4.8805 4.8876 6.9538 6.9622 7.1904 7.1955 8.1488 8.1493 8.2795 8.2802 9.0742 9.0743 k = 0.3625 0.2905 0.6840 ( 8546 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7954 -35.5196 -35.5195 -35.5193 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1738 -5.1738 -5.0024 -5.0024 -4.5373 -4.5370 -4.3858 -4.3853 -1.1257 -1.1247 -0.8546 -0.8538 1.0883 1.0889 1.2278 1.2280 2.8620 2.8649 3.0206 3.0257 3.4853 3.4906 3.5855 3.5896 4.1841 4.1854 4.2595 4.2606 4.5559 4.5626 4.9368 4.9432 6.9302 6.9380 7.1946 7.1993 8.1740 8.1743 8.3083 8.3093 9.0469 9.0470 k = 0.3750 0.3005 0.6711 ( 8543 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7954 -35.5196 -35.5195 -35.5193 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1766 -5.1766 -5.0018 -5.0018 -4.5388 -4.5385 -4.3872 -4.3867 -1.1211 -1.1203 -0.8448 -0.8441 1.1154 1.1160 1.2588 1.2590 2.8092 2.8117 2.9747 2.9796 3.4776 3.4826 3.5745 3.5781 4.1678 4.1685 4.2519 4.2532 4.5702 4.5765 4.9840 4.9895 6.9132 6.9201 7.1986 7.2028 8.2035 8.2036 8.3385 8.3399 9.0249 9.0252 k = 0.3875 0.3106 0.6583 ( 8543 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7954 -35.5196 -35.5196 -35.5193 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1777 -5.1777 -5.0024 -5.0024 -4.5392 -4.5389 -4.3915 -4.3910 -1.1114 -1.1106 -0.8364 -0.8358 1.1430 1.1436 1.2881 1.2881 2.7624 2.7644 2.9319 2.9364 3.4676 3.4724 3.5608 3.5639 4.1521 4.1524 4.2434 4.2447 4.5846 4.5906 5.0197 5.0243 6.9046 6.9106 7.2022 7.2060 8.2367 8.2372 8.3697 8.3715 9.0080 9.0085 k = 0.4000 0.3206 0.6454 ( 8543 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7954 -35.5196 -35.5196 -35.5193 -35.5192 -35.4961 -35.4961 -35.4959 -35.4959 -5.1771 -5.1771 -5.0045 -5.0044 -4.5383 -4.5381 -4.3985 -4.3981 -1.0964 -1.0957 -0.8295 -0.8289 1.1703 1.1710 1.3143 1.3144 2.7228 2.7244 2.8927 2.8971 3.4555 3.4600 3.5446 3.5472 4.1373 4.1374 4.2333 4.2347 4.5995 4.6052 5.0421 5.0456 6.9061 6.9111 7.2056 7.2091 8.2734 8.2744 8.4014 8.4036 8.9957 8.9964 k = 0.4125 0.3306 0.6326 ( 8531 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7954 -35.5196 -35.5195 -35.5193 -35.5192 -35.4961 -35.4960 -35.4959 -35.4959 -5.1746 -5.1746 -5.0081 -5.0081 -4.5363 -4.5361 -4.4080 -4.4076 -1.0764 -1.0758 -0.8241 -0.8235 1.1968 1.1976 1.3366 1.3368 2.6915 2.6926 2.8579 2.8621 3.4417 3.4460 3.5260 3.5282 4.1237 4.1241 4.2215 4.2229 4.6151 4.6204 5.0499 5.0525 6.9187 6.9227 7.2087 7.2118 8.3132 8.3147 8.4329 8.4357 8.9874 8.9885 k = 0.4250 0.3406 0.6198 ( 8527 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5192 -35.4960 -35.4960 -35.4959 -35.4959 -5.1703 -5.1702 -5.0136 -5.0136 -4.5331 -4.5329 -4.4193 -4.4190 -1.0516 -1.0510 -0.8201 -0.8196 1.2221 1.2228 1.3540 1.3543 2.6694 2.6700 2.8277 2.8318 3.4266 3.4306 3.5052 3.5069 4.1119 4.1125 4.2077 4.2091 4.6315 4.6365 5.0429 5.0444 6.9423 6.9452 7.2115 7.2144 8.3554 8.3576 8.4637 8.4671 8.9823 8.9838 k = 0.4375 0.3506 0.6069 ( 8521 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5192 -35.4960 -35.4960 -35.4959 -35.4959 -5.1641 -5.1641 -5.0213 -5.0213 -4.5288 -4.5286 -4.4320 -4.4318 -1.0223 -1.0219 -0.8177 -0.8173 1.2457 1.2465 1.3659 1.3663 2.6571 2.6572 2.8022 2.8061 3.4107 3.4145 3.4823 3.4834 4.1022 4.1030 4.1920 4.1934 4.6489 4.6536 5.0215 5.0221 6.9760 6.9779 7.2140 7.2166 8.3993 8.4021 8.4932 8.4971 8.9796 8.9815 k = 0.4500 0.3607 0.5941 ( 8525 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4959 -35.4959 -5.1561 -5.1561 -5.0316 -5.0316 -4.5233 -4.5231 -4.4453 -4.4451 -0.9891 -0.9888 -0.8169 -0.8166 1.2677 1.2686 1.3719 1.3725 2.6543 2.6547 2.7811 2.7849 3.3947 3.3983 3.4574 3.4580 4.0948 4.0958 4.1745 4.1759 4.6674 4.6717 4.9867 4.9871 7.0180 7.0190 7.2160 7.2184 8.4437 8.4474 8.5205 8.5252 8.9784 8.9809 k = 0.4625 0.3707 0.5812 ( 8528 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4959 -35.4959 -5.1463 -5.1462 -5.0449 -5.0448 -4.5166 -4.5165 -4.4584 -4.4583 -0.9526 -0.9524 -0.8178 -0.8175 1.2881 1.2891 1.3722 1.3730 2.6608 2.6618 2.7638 2.7674 3.3794 3.3827 3.4309 3.4309 4.0900 4.0911 4.1554 4.1568 4.6869 4.6909 4.9400 4.9412 7.0660 7.0661 7.2175 7.2197 8.4871 8.4917 8.5450 8.5504 8.9779 8.9811 k = 0.4750 0.3807 0.5684 ( 8531 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1346 -5.1346 -5.0615 -5.0614 -4.5089 -4.5087 -4.4707 -4.4707 -0.9136 -0.9135 -0.8204 -0.8201 1.3075 1.3086 1.3674 1.3684 2.6757 2.6772 2.7494 2.7527 3.3655 3.3684 3.4026 3.4033 4.0876 4.0887 4.1353 4.1366 4.7075 4.7112 4.8839 4.8858 7.1167 7.1173 7.2184 7.2205 8.5275 8.5331 8.5655 8.5716 8.9778 8.9819 k = 0.4875 0.3907 0.5556 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1211 -5.1210 -5.0817 -5.0816 -4.5000 -4.4999 -4.4814 -4.4813 -0.8728 -0.8728 -0.8248 -0.8246 1.3265 1.3277 1.3583 1.3594 2.6975 2.6995 2.7366 2.7396 3.3536 3.3560 3.3739 3.3751 4.0870 4.0880 4.1152 4.1163 4.7291 4.7324 4.8206 4.8231 7.1676 7.1688 7.2187 7.2206 8.5618 8.5682 8.5805 8.5871 8.9787 8.9835 k = 0.5000 0.4007 0.5427 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1058 -5.1058 -5.1056 -5.1056 -4.4904 -4.4904 -4.4896 -4.4896 -0.8318 -0.8318 -0.8302 -0.8302 1.3455 1.3455 1.3477 1.3477 2.7234 2.7234 2.7273 2.7273 3.3431 3.3431 3.3487 3.3487 4.0843 4.0843 4.0999 4.0999 4.7492 4.7492 4.7574 4.7574 7.2126 7.2126 7.2232 7.2232 8.5859 8.5859 8.5942 8.5942 8.9804 8.9804 k = 0.5000 0.4007 0.5427 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1058 -5.1058 -5.1056 -5.1056 -4.4904 -4.4904 -4.4896 -4.4896 -0.8318 -0.8318 -0.8302 -0.8302 1.3455 1.3455 1.3477 1.3477 2.7234 2.7234 2.7273 2.7273 3.3431 3.3431 3.3487 3.3487 4.0843 4.0843 4.0999 4.0999 4.7492 4.7492 4.7574 4.7574 7.2126 7.2126 7.2232 7.2232 8.5859 8.5859 8.5942 8.5942 8.9804 8.9804 k = 0.5000 0.4007 0.5226 ( 8536 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1142 -5.1142 -5.1140 -5.1140 -4.4869 -4.4869 -4.4860 -4.4860 -0.8058 -0.8058 -0.8041 -0.8041 1.3522 1.3522 1.3543 1.3543 2.7356 2.7356 2.7397 2.7397 3.3164 3.3164 3.3222 3.3222 4.0696 4.0696 4.0859 4.0859 4.7116 4.7116 4.7201 4.7201 7.2453 7.2453 7.2559 7.2559 8.5842 8.5842 8.5923 8.5923 8.9689 8.9689 k = 0.5000 0.4007 0.5025 ( 8540 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1242 -5.1242 -5.1240 -5.1240 -4.4810 -4.4810 -4.4802 -4.4802 -0.7823 -0.7823 -0.7806 -0.7806 1.3622 1.3622 1.3644 1.3644 2.7484 2.7484 2.7527 2.7527 3.2925 3.2925 3.2985 3.2985 4.0545 4.0545 4.0714 4.0714 4.6739 4.6739 4.6827 4.6827 7.2718 7.2718 7.2823 7.2823 8.5499 8.5499 8.5570 8.5570 8.9785 8.9785 k = 0.5000 0.4007 0.4824 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1357 -5.1357 -5.1355 -5.1355 -4.4728 -4.4728 -4.4720 -4.4720 -0.7622 -0.7622 -0.7604 -0.7604 1.3762 1.3762 1.3785 1.3785 2.7615 2.7615 2.7661 2.7661 3.2716 3.2716 3.2778 3.2778 4.0390 4.0390 4.0566 4.0566 4.6364 4.6364 4.6455 4.6455 7.2909 7.2909 7.3012 7.3012 8.4916 8.4916 8.4976 8.4976 8.9970 8.9970 k = 0.5000 0.4007 0.4623 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1486 -5.1486 -5.1484 -5.1484 -4.4623 -4.4623 -4.4614 -4.4614 -0.7461 -0.7461 -0.7442 -0.7442 1.3949 1.3949 1.3974 1.3974 2.7750 2.7750 2.7799 2.7799 3.2540 3.2540 3.2603 3.2603 4.0230 4.0230 4.0413 4.0413 4.5994 4.5994 4.6088 4.6088 7.3016 7.3016 7.3116 7.3116 8.4197 8.4197 8.4248 8.4248 9.0103 9.0106 k = 0.5000 0.4007 0.4422 ( 8530 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1628 -5.1628 -5.1625 -5.1625 -4.4495 -4.4495 -4.4486 -4.4486 -0.7346 -0.7346 -0.7326 -0.7326 1.4187 1.4187 1.4215 1.4215 2.7887 2.7887 2.7939 2.7939 3.2396 3.2396 3.2461 3.2461 4.0066 4.0066 4.0255 4.0255 4.5632 4.5632 4.5728 4.5728 7.3029 7.3029 7.3126 7.3126 8.3410 8.3410 8.3454 8.3454 9.0097 9.0097 k = 0.5000 0.4007 0.4221 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1779 -5.1779 -5.1777 -5.1777 -4.4346 -4.4346 -4.4337 -4.4337 -0.7280 -0.7280 -0.7260 -0.7260 1.4481 1.4481 1.4513 1.4513 2.8025 2.8025 2.8080 2.8080 3.2286 3.2286 3.2352 3.2352 3.9896 3.9896 4.0091 4.0091 4.5281 4.5281 4.5380 4.5380 7.2943 7.2943 7.3036 7.3036 8.2593 8.2593 8.2631 8.2631 8.9929 8.9929 k = 0.5000 0.4007 0.4020 ( 8530 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.1939 -5.1939 -5.1936 -5.1936 -4.4177 -4.4177 -4.4168 -4.4168 -0.7266 -0.7266 -0.7245 -0.7245 1.4836 1.4836 1.4871 1.4871 2.8162 2.8162 2.8221 2.8221 3.2208 3.2208 3.2275 3.2275 3.9721 3.9721 3.9921 3.9921 4.4944 4.4944 4.5045 4.5045 7.2755 7.2755 7.2845 7.2845 8.1765 8.1765 8.1799 8.1799 8.9624 8.9624 k = 0.5000 0.4007 0.3819 ( 8530 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.2105 -5.2105 -5.2102 -5.2102 -4.3991 -4.3991 -4.3982 -4.3982 -0.7304 -0.7304 -0.7283 -0.7283 1.5251 1.5251 1.5290 1.5290 2.8299 2.8299 2.8361 2.8361 3.2162 3.2162 3.2229 3.2229 3.9538 3.9538 3.9743 3.9743 4.4625 4.4625 4.4726 4.4726 7.2469 7.2469 7.2553 7.2553 8.0937 8.0937 8.0969 8.0969 8.9225 8.9225 k = 0.5000 0.4007 0.3618 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.2275 -5.2275 -5.2272 -5.2272 -4.3791 -4.3791 -4.3782 -4.3782 -0.7392 -0.7392 -0.7371 -0.7371 1.5727 1.5727 1.5770 1.5770 2.8432 2.8432 2.8498 2.8498 3.2145 3.2145 3.2212 3.2212 3.9347 3.9347 3.9555 3.9555 4.4326 4.4326 4.4427 4.4427 7.2090 7.2090 7.2169 7.2169 8.0113 8.0113 8.0145 8.0145 8.8774 8.8774 k = 0.5000 0.4007 0.3417 ( 8540 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7955 -35.7955 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.2446 -5.2446 -5.2443 -5.2443 -4.3578 -4.3578 -4.3569 -4.3569 -0.7528 -0.7528 -0.7506 -0.7506 1.6261 1.6261 1.6308 1.6308 2.8560 2.8560 2.8630 2.8630 3.2157 3.2157 3.2224 3.2224 3.9145 3.9145 3.9354 3.9354 4.4050 4.4050 4.4149 4.4149 7.1629 7.1629 7.1701 7.1701 7.9296 7.9296 7.9328 7.9328 8.8301 8.8301 k = 0.5000 0.4007 0.3216 ( 8544 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.2616 -5.2616 -5.2613 -5.2613 -4.3355 -4.3355 -4.3346 -4.3346 -0.7705 -0.7705 -0.7684 -0.7684 1.6850 1.6850 1.6900 1.6900 2.8683 2.8683 2.8758 2.8758 3.2194 3.2194 3.2260 3.2260 3.8930 3.8930 3.9139 3.9139 4.3799 4.3799 4.3895 4.3895 7.1099 7.1099 7.1165 7.1165 7.8486 7.8486 7.8520 7.8520 8.7825 8.7825 k = 0.5000 0.4007 0.3015 ( 8548 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.2784 -5.2784 -5.2781 -5.2781 -4.3125 -4.3125 -4.3116 -4.3116 -0.7919 -0.7919 -0.7898 -0.7898 1.7489 1.7489 1.7543 1.7543 2.8798 2.8798 2.8878 2.8878 3.2255 3.2255 3.2319 3.2319 3.8701 3.8701 3.8908 3.8908 4.3576 4.3576 4.3666 4.3666 7.0514 7.0514 7.0574 7.0574 7.7687 7.7687 7.7722 7.7722 8.7359 8.7359 k = 0.5000 0.4007 0.2814 ( 8560 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.2948 -5.2948 -5.2946 -5.2946 -4.2891 -4.2891 -4.2882 -4.2882 -0.8163 -0.8163 -0.8143 -0.8143 1.8173 1.8173 1.8231 1.8231 2.8905 2.8905 2.8990 2.8990 3.2336 3.2336 3.2399 3.2399 3.8456 3.8456 3.8659 3.8659 4.3380 4.3380 4.3464 4.3464 6.9888 6.9888 6.9944 6.9944 7.6900 7.6900 7.6936 7.6936 8.6908 8.6908 k = 0.5000 0.4007 0.2613 ( 8560 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.3107 -5.3107 -5.3104 -5.3104 -4.2655 -4.2655 -4.2647 -4.2647 -0.8430 -0.8430 -0.8410 -0.8410 1.8894 1.8894 1.8956 1.8956 2.9001 2.9001 2.9093 2.9093 3.2435 3.2435 3.2495 3.2495 3.8193 3.8193 3.8391 3.8391 4.3212 4.3212 4.3288 4.3288 6.9237 6.9237 6.9288 6.9288 7.6131 7.6131 7.6167 7.6167 8.6474 8.6474 k = 0.5000 0.4007 0.2412 ( 8562 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.3258 -5.3258 -5.3256 -5.3256 -4.2420 -4.2420 -4.2412 -4.2412 -0.8712 -0.8712 -0.8694 -0.8694 1.9646 1.9646 1.9712 1.9712 2.9085 2.9085 2.9185 2.9185 3.2548 3.2548 3.2606 3.2606 3.7913 3.7913 3.8104 3.8104 4.3072 4.3072 4.3140 4.3140 6.8574 6.8574 6.8621 6.8621 7.5385 7.5385 7.5420 7.5420 8.6060 8.6060 k = 0.5000 0.4007 0.2211 ( 8558 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.3402 -5.3402 -5.3399 -5.3399 -4.2190 -4.2190 -4.2182 -4.2182 -0.9003 -0.9003 -0.8986 -0.8986 2.0421 2.0421 2.0491 2.0491 2.9157 2.9157 2.9264 2.9264 3.2673 3.2673 3.2728 3.2728 3.7614 3.7614 3.7797 3.7797 4.2957 4.2957 4.3016 4.3016 6.7912 6.7912 6.7955 6.7955 7.4667 7.4667 7.4702 7.4702 8.5665 8.5665 k = 0.5000 0.4007 0.2010 ( 8568 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.3536 -5.3536 -5.3533 -5.3533 -4.1966 -4.1966 -4.1959 -4.1959 -0.9296 -0.9296 -0.9280 -0.9280 2.1210 2.1210 2.1286 2.1286 2.9214 2.9214 2.9331 2.9331 3.2807 3.2807 3.2858 3.2858 3.7298 3.7298 3.7472 3.7472 4.2866 4.2866 4.2917 4.2917 6.7261 6.7261 6.7301 6.7301 7.3986 7.3986 7.4018 7.4018 8.5292 8.5292 k = 0.5000 0.4007 0.1809 ( 8568 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.3659 -5.3659 -5.3657 -5.3657 -4.1752 -4.1752 -4.1746 -4.1746 -0.9583 -0.9583 -0.9568 -0.9568 2.2007 2.2007 2.2088 2.2088 2.9256 2.9256 2.9382 2.9382 3.2945 3.2945 3.2992 3.2992 3.6966 3.6966 3.7131 3.7131 4.2797 4.2797 4.2838 4.2838 6.6634 6.6634 6.6669 6.6669 7.3347 7.3347 7.3377 7.3377 8.4941 8.4942 k = 0.5000 0.4007 0.1608 ( 8564 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.3772 -5.3772 -5.3770 -5.3770 -4.1551 -4.1551 -4.1545 -4.1545 -0.9859 -0.9859 -0.9845 -0.9845 2.2802 2.2802 2.2889 2.2889 2.9281 2.9281 2.9417 2.9417 3.3086 3.3086 3.3128 3.3128 3.6620 3.6620 3.6776 3.6776 4.2745 4.2745 4.2779 4.2779 6.6039 6.6039 6.6071 6.6071 7.2757 7.2757 7.2785 7.2785 8.4616 8.4616 k = 0.5000 0.4007 0.1407 ( 8556 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.3873 -5.3873 -5.3872 -5.3872 -4.1366 -4.1366 -4.1360 -4.1360 -1.0117 -1.0117 -1.0105 -1.0105 2.3585 2.3585 2.3679 2.3679 2.9287 2.9287 2.9432 2.9432 3.3225 3.3225 3.3263 3.3263 3.6265 3.6265 3.6411 3.6411 4.2708 4.2708 4.2735 4.2735 6.5487 6.5487 6.5515 6.5515 7.2222 7.2222 7.2247 7.2247 8.4318 8.4318 k = 0.5000 0.4007 0.1206 ( 8560 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.3962 -5.3962 -5.3961 -5.3961 -4.1198 -4.1198 -4.1193 -4.1193 -1.0352 -1.0352 -1.0342 -1.0342 2.4346 2.4346 2.4448 2.4448 2.9269 2.9269 2.9425 2.9425 3.3360 3.3360 3.3394 3.3394 3.5906 3.5906 3.6041 3.6041 4.2682 4.2682 4.2704 4.2704 6.4986 6.4986 6.5011 6.5011 7.1747 7.1747 7.1769 7.1769 8.4052 8.4052 k = 0.5000 0.4007 0.1005 ( 8562 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.4038 -5.4038 -5.4037 -5.4037 -4.1052 -4.1052 -4.1048 -4.1048 -1.0560 -1.0560 -1.0551 -1.0551 2.5074 2.5074 2.5184 2.5184 2.9226 2.9226 2.9389 2.9389 3.3491 3.3491 3.3522 3.3522 3.5551 3.5551 3.5675 3.5675 4.2666 4.2666 4.2683 4.2683 6.4546 6.4546 6.4568 6.4568 7.1337 7.1337 7.1356 7.1356 8.3821 8.3822 k = 0.5000 0.4007 0.0804 ( 8564 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.4101 -5.4101 -5.4100 -5.4100 -4.0928 -4.0928 -4.0925 -4.0925 -1.0736 -1.0736 -1.0729 -1.0729 2.5756 2.5756 2.5873 2.5873 2.9152 2.9152 2.9321 2.9321 3.3616 3.3616 3.3647 3.3647 3.5208 3.5208 3.5320 3.5320 4.2657 4.2657 4.2670 4.2670 6.4175 6.4175 6.4192 6.4192 7.0997 7.0997 7.1013 7.1013 8.3628 8.3628 k = 0.5000 0.4007 0.0603 ( 8568 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7956 -35.7956 -35.5195 -35.5195 -35.5194 -35.5194 -35.4960 -35.4960 -35.4960 -35.4960 -5.4150 -5.4150 -5.4149 -5.4149 -4.0830 -4.0830 -4.0827 -4.0827 -1.0876 -1.0876 -1.0871 -1.0871 2.6374 2.6374 2.6496 2.6496 2.9046 2.9046 2.9213 2.9213 3.3738 3.3738 3.3772 3.3772 3.4890 3.4890 3.4989 3.4989 4.2652 4.2652 4.2661 4.2661 6.3878 6.3878 6.3892 6.3892 7.0730 7.0730 7.0741 7.0741 8.3474 8.3475 k = 0.5000 0.4007 0.0402 ( 8576 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7957 -35.5195 -35.5195 -35.5195 -35.5195 -35.4960 -35.4960 -35.4960 -35.4960 -5.4185 -5.4185 -5.4184 -5.4184 -4.0758 -4.0758 -4.0757 -4.0757 -1.0978 -1.0978 -1.0975 -1.0975 2.6907 2.6907 2.7024 2.7024 2.8914 2.8914 2.9066 2.9066 3.3864 3.3864 3.3902 3.3902 3.4607 3.4607 3.4691 3.4691 4.2651 4.2651 4.2656 4.2656 6.3663 6.3663 6.3672 6.3672 7.0537 7.0537 7.0545 7.0545 8.3364 8.3378 k = 0.5000 0.4007 0.0201 ( 8592 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7957 -35.5195 -35.5195 -35.5195 -35.5195 -35.4961 -35.4961 -35.4960 -35.4960 -5.4206 -5.4206 -5.4206 -5.4206 -4.0715 -4.0715 -4.0714 -4.0714 -1.1040 -1.1040 -1.1038 -1.1038 2.7314 2.7314 2.7399 2.7399 2.8792 2.8792 2.8896 2.8896 3.4001 3.4001 3.4048 3.4048 3.4366 3.4366 3.4436 3.4436 4.2650 4.2650 4.2653 4.2653 6.3533 6.3533 6.3538 6.3538 7.0422 7.0422 7.0426 7.0426 8.3301 8.3306 k = 0.5000 0.4007 0.0000 ( 8580 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7957 -35.7957 -35.7957 -35.7957 -35.5195 -35.5195 -35.5195 -35.5195 -35.4960 -35.4960 -35.4960 -35.4960 -5.4213 -5.4213 -5.4213 -5.4213 -4.0700 -4.0700 -4.0700 -4.0700 -1.1060 -1.1060 -1.1060 -1.1060 2.7511 2.7511 2.7511 2.7511 2.8773 2.8773 2.8773 2.8773 3.4157 3.4157 3.4158 3.4158 3.4230 3.4230 3.4231 3.4231 4.2651 4.2651 4.2651 4.2651 6.3491 6.3491 6.3491 6.3491 7.0385 7.0385 7.0385 7.0385 8.3280 8.3280 k = 0.0000 0.0000 0.7995 ( 8534 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0853 -5.0853 -5.0848 -5.0848 -4.4526 -4.4526 -4.4519 -4.4519 -1.0898 -1.0898 -1.0888 -1.0888 1.3518 1.3518 1.3561 1.3561 2.6404 2.6404 2.6425 2.6425 3.6526 3.6526 3.6571 3.6571 4.1963 4.1963 4.2061 4.2061 5.0499 5.0499 5.0557 5.0557 6.7940 6.7940 6.8054 6.8054 8.0831 8.0831 8.0887 8.0887 9.1181 9.1181 k = 0.0156 0.0125 0.7995 ( 8552 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7958 -35.7955 -35.7955 -35.5196 -35.5196 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0852 -5.0852 -5.0848 -5.0847 -4.4528 -4.4527 -4.4521 -4.4520 -1.0890 -1.0890 -1.0880 -1.0879 1.3474 1.3475 1.3515 1.3518 2.6462 2.6471 2.6486 2.6487 3.6522 3.6523 3.6562 3.6571 4.1964 4.1968 4.2063 4.2065 5.0443 5.0461 5.0508 5.0511 6.7969 6.7982 6.8086 6.8094 8.0835 8.0835 8.0891 8.0892 9.1194 9.1195 k = 0.0312 0.0250 0.7995 ( 8536 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0849 -5.0849 -5.0845 -5.0845 -4.4534 -4.4532 -4.4526 -4.4525 -1.0867 -1.0865 -1.0857 -1.0855 1.3345 1.3348 1.3384 1.3391 2.6640 2.6659 2.6667 2.6669 3.6509 3.6511 3.6545 3.6564 4.1970 4.1979 4.2071 4.2075 5.0293 5.0329 5.0366 5.0372 6.8069 6.8094 6.8188 6.8203 8.0848 8.0849 8.0904 8.0904 9.1232 9.1236 k = 0.0469 0.0376 0.7995 ( 8546 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0845 -5.0845 -5.0841 -5.0840 -4.4542 -4.4541 -4.4535 -4.4534 -1.0828 -1.0826 -1.0819 -1.0815 1.3142 1.3146 1.3178 1.3188 2.6929 2.6957 2.6959 2.6961 3.6487 3.6491 3.6520 3.6549 4.1984 4.1997 4.2085 4.2092 5.0055 5.0108 5.0137 5.0145 6.8234 6.8270 6.8354 6.8376 8.0868 8.0870 8.0924 8.0925 9.1298 9.1303 k = 0.0625 0.0501 0.7995 ( 8546 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5193 -35.4960 -35.4960 -35.4960 -35.4960 -5.0839 -5.0839 -5.0835 -5.0835 -4.4554 -4.4552 -4.4546 -4.4545 -1.0776 -1.0773 -1.0767 -1.0761 1.2878 1.2884 1.2912 1.2923 2.7315 2.7345 2.7349 2.7353 3.6456 3.6461 3.6484 3.6524 4.2004 4.2023 4.2108 4.2117 4.9737 4.9807 4.9828 4.9838 6.8455 6.8502 6.8577 6.8605 8.0895 8.0898 8.0950 8.0952 9.1390 9.1397 k = 0.0781 0.0626 0.7995 ( 8532 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7955 -35.5196 -35.5195 -35.5193 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0832 -5.0832 -5.0828 -5.0827 -4.4569 -4.4566 -4.4561 -4.4559 -1.0711 -1.0708 -1.0702 -1.0696 1.2570 1.2576 1.2600 1.2614 2.7781 2.7812 2.7816 2.7828 3.6414 3.6419 3.6438 3.6488 4.2033 4.2057 4.2139 4.2151 4.9351 4.9436 4.9449 4.9461 6.8722 6.8779 6.8844 6.8879 8.0928 8.0931 8.0981 8.0983 9.1510 9.1518 k = 0.0938 0.0751 0.7995 ( 8520 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7954 -35.5196 -35.5195 -35.5193 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0823 -5.0823 -5.0820 -5.0819 -4.4585 -4.4581 -4.4577 -4.4575 -1.0636 -1.0633 -1.0628 -1.0620 1.2234 1.2240 1.2261 1.2275 2.8311 2.8342 2.8346 2.8366 3.6359 3.6364 3.6378 3.6440 4.2073 4.2103 4.2182 4.2196 4.8906 4.9005 4.9012 4.9026 6.9023 6.9089 6.9146 6.9187 8.0963 8.0967 8.1015 8.1017 9.1658 9.1667 k = 0.1094 0.0877 0.7995 ( 8512 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7954 -35.5196 -35.5195 -35.5193 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0814 -5.0814 -5.0811 -5.0810 -4.4602 -4.4598 -4.4594 -4.4592 -1.0555 -1.0550 -1.0546 -1.0537 1.1884 1.1891 1.1908 1.1924 2.8888 2.8920 2.8923 2.8951 3.6289 3.6294 3.6302 3.6376 4.2125 4.2163 4.2237 4.2255 4.8415 4.8528 4.8529 4.8544 6.9346 6.9420 6.9469 6.9516 8.0999 8.1004 8.1049 8.1051 9.1835 9.1845 k = 0.1250 0.1002 0.7995 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7955 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0805 -5.0805 -5.0802 -5.0801 -4.4621 -4.4616 -4.4613 -4.4610 -1.0468 -1.0463 -1.0460 -1.0450 1.1535 1.1542 1.1556 1.1573 2.9496 2.9531 2.9531 2.9568 3.6201 3.6205 3.6207 3.6294 4.2194 4.2239 4.2310 4.2330 4.7890 4.8011 4.8016 4.8027 6.9678 6.9759 6.9801 6.9853 8.1033 8.1040 8.1081 8.1084 9.2043 9.2052 k = 0.1406 0.1127 0.7995 ( 8542 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7955 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0796 -5.0796 -5.0792 -5.0792 -4.4639 -4.4634 -4.4631 -4.4628 -1.0381 -1.0375 -1.0372 -1.0361 1.1199 1.1206 1.1217 1.1234 3.0122 3.0156 3.0160 3.0203 3.6088 3.6092 3.6094 3.6190 4.2281 4.2335 4.2401 4.2425 4.7343 4.7470 4.7480 4.7487 7.0008 7.0094 7.0130 7.0187 8.1065 8.1073 8.1111 8.1113 9.2281 9.2291 k = 0.1562 0.1252 0.7995 ( 8538 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0787 -5.0786 -5.0783 -5.0783 -4.4657 -4.4651 -4.4648 -4.4645 -1.0295 -1.0289 -1.0287 -1.0275 1.0886 1.0893 1.0902 1.0919 3.0753 3.0786 3.0794 3.0842 3.5944 3.5957 3.5957 3.6060 4.2392 4.2455 4.2517 4.2544 4.6787 4.6919 4.6933 4.6936 7.0323 7.0415 7.0445 7.0506 8.1092 8.1102 8.1135 8.1138 9.2551 9.2561 k = 0.1719 0.1378 0.7995 ( 8538 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7957 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0778 -5.0778 -5.0775 -5.0774 -4.4673 -4.4667 -4.4665 -4.4661 -1.0216 -1.0209 -1.0207 -1.0195 1.0606 1.0612 1.0619 1.0637 3.1375 3.1407 3.1423 3.1472 3.5768 3.5790 3.5793 3.5901 4.2531 4.2603 4.2662 4.2691 4.6231 4.6368 4.6385 4.6388 7.0612 7.0709 7.0733 7.0799 8.1114 8.1126 8.1154 8.1157 9.2855 9.2864 k = 0.1875 0.1503 0.7995 ( 8530 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0771 -5.0770 -5.0768 -5.0767 -4.4687 -4.4681 -4.4679 -4.4676 -1.0145 -1.0138 -1.0137 -1.0123 1.0366 1.0372 1.0376 1.0395 3.1976 3.2006 3.2033 3.2079 3.5556 3.5591 3.5598 3.5708 4.2703 4.2785 4.2839 4.2871 4.5689 4.5830 4.5847 4.5852 7.0865 7.0966 7.0985 7.1056 8.1130 8.1144 8.1168 8.1170 9.3193 9.3201 k = 0.2031 0.1628 0.7995 ( 8532 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0765 -5.0764 -5.0762 -5.0761 -4.4699 -4.4693 -4.4691 -4.4687 -1.0086 -1.0079 -1.0078 -1.0064 1.0173 1.0178 1.0181 1.0200 3.2540 3.2569 3.2614 3.2648 3.5305 3.5358 3.5371 3.5479 4.2913 4.3003 4.3054 4.3090 4.5171 4.5315 4.5331 4.5339 7.1072 7.1177 7.1191 7.1266 8.1142 8.1158 8.1177 8.1177 9.3565 9.3571 k = 0.2188 0.1753 0.7995 ( 8536 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5195 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0760 -5.0760 -5.0757 -5.0756 -4.4708 -4.4701 -4.4700 -4.4696 -1.0042 -1.0035 -1.0034 -1.0020 1.0032 1.0036 1.0037 1.0058 3.3047 3.3077 3.3149 3.3156 3.5016 3.5099 3.5121 3.5221 4.3164 4.3261 4.3310 4.3350 4.4689 4.4833 4.4848 4.4856 7.1227 7.1335 7.1344 7.1422 8.1149 8.1168 8.1181 8.1182 9.3970 9.3974 k = 0.2344 0.1878 0.7995 ( 8522 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0757 -5.0757 -5.0755 -5.0753 -4.4713 -4.4706 -4.4705 -4.4701 -1.0015 -1.0007 -1.0007 -0.9992 0.9946 0.9949 0.9949 0.9970 3.3452 3.3489 3.3552 3.3612 3.4706 3.4847 3.4888 3.4961 4.3457 4.3551 4.3602 4.3657 4.4258 4.4404 4.4408 4.4412 7.1322 7.1433 7.1438 7.1518 8.1152 8.1174 8.1181 8.1184 9.4408 9.4417 k = 0.2500 0.2004 0.7995 ( 8512 PWs) bands (ev): -68.8462 -68.8462 -68.8462 -68.8462 -35.7958 -35.7956 -35.7956 -35.7954 -35.5196 -35.5194 -35.5194 -35.5192 -35.4960 -35.4960 -35.4960 -35.4960 -5.0756 -5.0755 -5.0754 -5.0752 -4.4715 -4.4708 -4.4707 -4.4703 -1.0006 -0.9998 -0.9998 -0.9983 0.9918 0.9918 0.9920 0.9941 3.3631 3.3697 3.3697 3.3856 3.4513 3.4721 3.4801 3.4801 4.3751 4.3751 4.3766 4.4004 4.4018 4.4063 4.4063 4.4142 7.1354 7.1468 7.1468 7.1551 8.1154 8.1179 8.1179 8.1185 9.4840 9.4843 Writing output data file MgSiP2.save init_run : 1.50s CPU 0.97s WALL ( 1 calls) electrons : 529.53s CPU 395.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.03s CPU 0.02s WALL ( 1 calls) potinit : 0.08s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 529.52s CPU 395.66s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.45s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.55s CPU 0.65s WALL ( 279 calls) cegterg : 464.50s CPU 358.55s WALL ( 660 calls) Called by sum_band: Called by *egterg: h_psi : 355.64s CPU 235.53s WALL ( 11243 calls) s_psi : 20.06s CPU 16.11s WALL ( 11243 calls) g_psi : 0.68s CPU 0.56s WALL ( 10304 calls) cdiaghg : 90.35s CPU 88.03s WALL ( 10583 calls) cegterg:over : 16.82s CPU 15.70s WALL ( 10304 calls) cegterg:upda : 17.17s CPU 16.15s WALL ( 10304 calls) cegterg:last : 7.01s CPU 6.93s WALL ( 1467 calls) cdiaghg:chol : 5.12s CPU 5.12s WALL ( 10583 calls) cdiaghg:inve : 3.12s CPU 3.27s WALL ( 10583 calls) cdiaghg:para : 5.11s CPU 5.14s WALL ( 21166 calls) Called by h_psi: h_psi:vloc : 309.55s CPU 198.39s WALL ( 11243 calls) h_psi:vnl : 45.24s CPU 36.46s WALL ( 11243 calls) add_vuspsi : 24.58s CPU 19.54s WALL ( 11243 calls) General routines calbec : 20.61s CPU 16.88s WALL ( 11243 calls) fft : 0.06s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 288.22s CPU 181.17s WALL ( 971788 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.38s CPU 1.78s WALL ( 558 calls) Parallel routines fft_scatter : 94.61s CPU 74.71s WALL ( 971811 calls) PWSCF : 9m15.76s CPU 7m16.90s WALL This run was terminated on: 4:23:44 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=