Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 3:56 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./Br.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 24 7 1580 1176 185 Max 29 25 8 1591 1197 191 Sum 1043 867 257 57215 42569 6745 bravais-lattice index = 14 lattice parameter (alat) = 7.6207 a.u. unit-cell volume = 890.6081 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.620745 celldm(2)= 1.000000 celldm(3)= 2.159036 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.362357 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.362357 0.932040 0.000000 ) a(3) = ( 0.000000 0.000000 2.159036 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.388778 -0.000000 ) b(2) = ( 0.000000 1.072916 -0.000000 ) b(3) = ( 0.000000 0.000000 0.463170 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0071963 0.0105188 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0143926 0.0210376 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0215889 0.0315563 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0287852 0.0420751 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0359815 0.0525939 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0431778 0.0631127 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0503741 0.0736315 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0575704 0.0841503 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0647667 0.0946690 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0719630 0.1051878 -0.0000000), wk = 0.0026178 k( 12) = ( 0.0791593 0.1157066 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0863556 0.1262254 -0.0000000), wk = 0.0026178 k( 14) = ( 0.0935519 0.1367442 -0.0000000), wk = 0.0026178 k( 15) = ( 0.1007481 0.1472630 -0.0000000), wk = 0.0026178 k( 16) = ( 0.1079444 0.1577817 -0.0000000), wk = 0.0026178 k( 17) = ( 0.1151408 0.1683005 -0.0000000), wk = 0.0026178 k( 18) = ( 0.1223370 0.1788193 -0.0000000), wk = 0.0026178 k( 19) = ( 0.1295333 0.1893381 -0.0000000), wk = 0.0026178 k( 20) = ( 0.1367296 0.1998569 -0.0000000), wk = 0.0026178 k( 21) = ( 0.1439259 0.2103756 -0.0000000), wk = 0.0026178 k( 22) = ( 0.1511222 0.2208944 -0.0000000), wk = 0.0026178 k( 23) = ( 0.1583185 0.2314132 -0.0000000), wk = 0.0026178 k( 24) = ( 0.1655148 0.2419320 -0.0000000), wk = 0.0026178 k( 25) = ( 0.1727111 0.2524508 -0.0000000), wk = 0.0026178 k( 26) = ( 0.1799074 0.2629696 -0.0000000), wk = 0.0026178 k( 27) = ( 0.1871037 0.2734883 -0.0000000), wk = 0.0026178 k( 28) = ( 0.1943000 0.2840071 -0.0000000), wk = 0.0026178 k( 29) = ( 0.2014963 0.2945259 -0.0000000), wk = 0.0026178 k( 30) = ( 0.2086926 0.3050447 -0.0000000), wk = 0.0026178 k( 31) = ( 0.2158889 0.3155635 -0.0000000), wk = 0.0026178 k( 32) = ( 0.2230852 0.3260823 -0.0000000), wk = 0.0026178 k( 33) = ( 0.2302815 0.3366010 -0.0000000), wk = 0.0026178 k( 34) = ( 0.2374778 0.3471198 -0.0000000), wk = 0.0026178 k( 35) = ( 0.2446741 0.3576386 -0.0000000), wk = 0.0026178 k( 36) = ( 0.2518704 0.3681574 -0.0000000), wk = 0.0026178 k( 37) = ( 0.2590667 0.3786762 -0.0000000), wk = 0.0026178 k( 38) = ( 0.2662630 0.3891949 -0.0000000), wk = 0.0026178 k( 39) = ( 0.2734593 0.3997137 -0.0000000), wk = 0.0026178 k( 40) = ( 0.2806556 0.4102325 -0.0000000), wk = 0.0026178 k( 41) = ( 0.2878519 0.4207513 -0.0000000), wk = 0.0026178 k( 42) = ( 0.2950482 0.4312701 -0.0000000), wk = 0.0026178 k( 43) = ( 0.3022445 0.4417889 -0.0000000), wk = 0.0026178 k( 44) = ( 0.3094407 0.4523076 -0.0000000), wk = 0.0026178 k( 45) = ( 0.3166370 0.4628264 -0.0000000), wk = 0.0026178 k( 46) = ( 0.3238334 0.4733452 -0.0000000), wk = 0.0026178 k( 47) = ( 0.3310296 0.4838640 -0.0000000), wk = 0.0026178 k( 48) = ( 0.3382259 0.4943828 -0.0000000), wk = 0.0026178 k( 49) = ( 0.3454222 0.5049016 -0.0000000), wk = 0.0026178 k( 50) = ( 0.3526185 0.5154203 -0.0000000), wk = 0.0026178 k( 51) = ( 0.3598148 0.5259391 -0.0000000), wk = 0.0026178 k( 52) = ( 0.3670111 0.5364579 -0.0000000), wk = 0.0026178 k( 53) = ( 0.3670111 0.5364579 -0.0000000), wk = 0.0026178 k( 54) = ( 0.3543556 0.5364579 -0.0000000), wk = 0.0026178 k( 55) = ( 0.3417000 0.5364579 -0.0000000), wk = 0.0026178 k( 56) = ( 0.3290445 0.5364579 -0.0000000), wk = 0.0026178 k( 57) = ( 0.3163889 0.5364579 -0.0000000), wk = 0.0026178 k( 58) = ( 0.3037334 0.5364579 -0.0000000), wk = 0.0026178 k( 59) = ( 0.2910778 0.5364579 -0.0000000), wk = 0.0026178 k( 60) = ( 0.2784222 0.5364579 -0.0000000), wk = 0.0026178 k( 61) = ( 0.2657667 0.5364579 -0.0000000), wk = 0.0026178 k( 62) = ( 0.2531111 0.5364579 -0.0000000), wk = 0.0026178 k( 63) = ( 0.2404556 0.5364579 -0.0000000), wk = 0.0026178 k( 64) = ( 0.2278000 0.5364579 -0.0000000), wk = 0.0026178 k( 65) = ( 0.2151444 0.5364579 -0.0000000), wk = 0.0026178 k( 66) = ( 0.2024889 0.5364579 -0.0000000), wk = 0.0026178 k( 67) = ( 0.1898333 0.5364579 -0.0000000), wk = 0.0026178 k( 68) = ( 0.1771778 0.5364579 -0.0000000), wk = 0.0026178 k( 69) = ( 0.1645222 0.5364579 -0.0000000), wk = 0.0026178 k( 70) = ( 0.1518667 0.5364579 -0.0000000), wk = 0.0026178 k( 71) = ( 0.1392111 0.5364579 -0.0000000), wk = 0.0026178 k( 72) = ( 0.1265556 0.5364579 -0.0000000), wk = 0.0026178 k( 73) = ( 0.1139000 0.5364579 -0.0000000), wk = 0.0026178 k( 74) = ( 0.1012444 0.5364579 -0.0000000), wk = 0.0026178 k( 75) = ( 0.0885889 0.5364579 -0.0000000), wk = 0.0026178 k( 76) = ( 0.0759333 0.5364579 -0.0000000), wk = 0.0026178 k( 77) = ( 0.0632778 0.5364579 -0.0000000), wk = 0.0026178 k( 78) = ( 0.0506222 0.5364579 -0.0000000), wk = 0.0026178 k( 79) = ( 0.0379667 0.5364579 -0.0000000), wk = 0.0026178 k( 80) = ( 0.0253111 0.5364579 -0.0000000), wk = 0.0026178 k( 81) = ( 0.0126556 0.5364579 -0.0000000), wk = 0.0026178 k( 82) = ( 0.0000000 0.5364579 -0.0000000), wk = 0.0026178 k( 83) = ( 0.0000000 0.5364579 -0.0000000), wk = 0.0026178 k( 84) = ( 0.0000000 0.5364579 0.0121887), wk = 0.0026178 k( 85) = ( 0.0000000 0.5364579 0.0243773), wk = 0.0026178 k( 86) = ( 0.0000000 0.5364579 0.0365660), wk = 0.0026178 k( 87) = ( 0.0000000 0.5364579 0.0487547), wk = 0.0026178 k( 88) = ( 0.0000000 0.5364579 0.0609434), wk = 0.0026178 k( 89) = ( 0.0000000 0.5364579 0.0731320), wk = 0.0026178 k( 90) = ( 0.0000000 0.5364579 0.0853207), wk = 0.0026178 k( 91) = ( 0.0000000 0.5364579 0.0975094), wk = 0.0026178 k( 92) = ( 0.0000000 0.5364579 0.1096981), wk = 0.0026178 k( 93) = ( 0.0000000 0.5364579 0.1218867), wk = 0.0026178 k( 94) = ( 0.0000000 0.5364579 0.1340754), wk = 0.0026178 k( 95) = ( 0.0000000 0.5364579 0.1462641), wk = 0.0026178 k( 96) = ( 0.0000000 0.5364579 0.1584528), wk = 0.0026178 k( 97) = ( 0.0000000 0.5364579 0.1706414), wk = 0.0026178 k( 98) = ( 0.0000000 0.5364579 0.1828301), wk = 0.0026178 k( 99) = ( 0.0000000 0.5364579 0.1950188), wk = 0.0026178 k( 100) = ( 0.0000000 0.5364579 0.2072074), wk = 0.0026178 k( 101) = ( 0.0000000 0.5364579 0.2193961), wk = 0.0026178 k( 102) = ( 0.0000000 0.5364579 0.2315848), wk = 0.0026178 k( 103) = ( 0.0000000 0.5364579 0.2315848), wk = 0.0026178 k( 104) = ( 0.0126556 0.5364579 0.2315848), wk = 0.0026178 k( 105) = ( 0.0253111 0.5364579 0.2315848), wk = 0.0026178 k( 106) = ( 0.0379667 0.5364579 0.2315848), wk = 0.0026178 k( 107) = ( 0.0506222 0.5364579 0.2315848), wk = 0.0026178 k( 108) = ( 0.0632778 0.5364579 0.2315848), wk = 0.0026178 k( 109) = ( 0.0759333 0.5364579 0.2315848), wk = 0.0026178 k( 110) = ( 0.0885889 0.5364579 0.2315848), wk = 0.0026178 k( 111) = ( 0.1012444 0.5364579 0.2315848), wk = 0.0026178 k( 112) = ( 0.1139000 0.5364579 0.2315848), wk = 0.0026178 k( 113) = ( 0.1265556 0.5364579 0.2315848), wk = 0.0026178 k( 114) = ( 0.1392111 0.5364579 0.2315848), wk = 0.0026178 k( 115) = ( 0.1518667 0.5364579 0.2315848), wk = 0.0026178 k( 116) = ( 0.1645222 0.5364579 0.2315848), wk = 0.0026178 k( 117) = ( 0.1771778 0.5364579 0.2315848), wk = 0.0026178 k( 118) = ( 0.1898333 0.5364579 0.2315848), wk = 0.0026178 k( 119) = ( 0.2024889 0.5364579 0.2315848), wk = 0.0026178 k( 120) = ( 0.2151444 0.5364579 0.2315848), wk = 0.0026178 k( 121) = ( 0.2278000 0.5364579 0.2315848), wk = 0.0026178 k( 122) = ( 0.2404556 0.5364579 0.2315848), wk = 0.0026178 k( 123) = ( 0.2531111 0.5364579 0.2315848), wk = 0.0026178 k( 124) = ( 0.2657667 0.5364579 0.2315848), wk = 0.0026178 k( 125) = ( 0.2784222 0.5364579 0.2315848), wk = 0.0026178 k( 126) = ( 0.2910778 0.5364579 0.2315848), wk = 0.0026178 k( 127) = ( 0.3037334 0.5364579 0.2315848), wk = 0.0026178 k( 128) = ( 0.3163889 0.5364579 0.2315848), wk = 0.0026178 k( 129) = ( 0.3290445 0.5364579 0.2315848), wk = 0.0026178 k( 130) = ( 0.3417000 0.5364579 0.2315848), wk = 0.0026178 k( 131) = ( 0.3543556 0.5364579 0.2315848), wk = 0.0026178 k( 132) = ( 0.3670111 0.5364579 0.2315848), wk = 0.0026178 k( 133) = ( 0.3670111 0.5364579 0.2315848), wk = 0.0026178 k( 134) = ( 0.3598148 0.5259391 0.2315848), wk = 0.0026178 k( 135) = ( 0.3526185 0.5154203 0.2315848), wk = 0.0026178 k( 136) = ( 0.3454222 0.5049016 0.2315848), wk = 0.0026178 k( 137) = ( 0.3382259 0.4943828 0.2315848), wk = 0.0026178 k( 138) = ( 0.3310296 0.4838640 0.2315848), wk = 0.0026178 k( 139) = ( 0.3238334 0.4733452 0.2315848), wk = 0.0026178 k( 140) = ( 0.3166370 0.4628264 0.2315848), wk = 0.0026178 k( 141) = ( 0.3094407 0.4523076 0.2315848), wk = 0.0026178 k( 142) = ( 0.3022445 0.4417889 0.2315848), wk = 0.0026178 k( 143) = ( 0.2950482 0.4312701 0.2315848), wk = 0.0026178 k( 144) = ( 0.2878519 0.4207513 0.2315848), wk = 0.0026178 k( 145) = ( 0.2806556 0.4102325 0.2315848), wk = 0.0026178 k( 146) = ( 0.2734593 0.3997137 0.2315848), wk = 0.0026178 k( 147) = ( 0.2662630 0.3891949 0.2315848), wk = 0.0026178 k( 148) = ( 0.2590667 0.3786762 0.2315848), wk = 0.0026178 k( 149) = ( 0.2518704 0.3681574 0.2315848), wk = 0.0026178 k( 150) = ( 0.2446741 0.3576386 0.2315848), wk = 0.0026178 k( 151) = ( 0.2374778 0.3471198 0.2315848), wk = 0.0026178 k( 152) = ( 0.2302815 0.3366010 0.2315848), wk = 0.0026178 k( 153) = ( 0.2230852 0.3260823 0.2315848), wk = 0.0026178 k( 154) = ( 0.2158889 0.3155635 0.2315848), wk = 0.0026178 k( 155) = ( 0.2086926 0.3050447 0.2315848), wk = 0.0026178 k( 156) = ( 0.2014963 0.2945259 0.2315848), wk = 0.0026178 k( 157) = ( 0.1943000 0.2840071 0.2315848), wk = 0.0026178 k( 158) = ( 0.1871037 0.2734883 0.2315848), wk = 0.0026178 k( 159) = ( 0.1799074 0.2629696 0.2315848), wk = 0.0026178 k( 160) = ( 0.1727111 0.2524508 0.2315848), wk = 0.0026178 k( 161) = ( 0.1655148 0.2419320 0.2315848), wk = 0.0026178 k( 162) = ( 0.1583185 0.2314132 0.2315848), wk = 0.0026178 k( 163) = ( 0.1511222 0.2208944 0.2315848), wk = 0.0026178 k( 164) = ( 0.1439259 0.2103756 0.2315848), wk = 0.0026178 k( 165) = ( 0.1367296 0.1998569 0.2315848), wk = 0.0026178 k( 166) = ( 0.1295333 0.1893381 0.2315848), wk = 0.0026178 k( 167) = ( 0.1223370 0.1788193 0.2315848), wk = 0.0026178 k( 168) = ( 0.1151408 0.1683005 0.2315848), wk = 0.0026178 k( 169) = ( 0.1079444 0.1577817 0.2315848), wk = 0.0026178 k( 170) = ( 0.1007481 0.1472630 0.2315848), wk = 0.0026178 k( 171) = ( 0.0935519 0.1367442 0.2315848), wk = 0.0026178 k( 172) = ( 0.0863556 0.1262254 0.2315848), wk = 0.0026178 k( 173) = ( 0.0791593 0.1157066 0.2315848), wk = 0.0026178 k( 174) = ( 0.0719630 0.1051878 0.2315848), wk = 0.0026178 k( 175) = ( 0.0647667 0.0946690 0.2315848), wk = 0.0026178 k( 176) = ( 0.0575704 0.0841503 0.2315848), wk = 0.0026178 k( 177) = ( 0.0503741 0.0736315 0.2315848), wk = 0.0026178 k( 178) = ( 0.0431778 0.0631127 0.2315848), wk = 0.0026178 k( 179) = ( 0.0359815 0.0525939 0.2315848), wk = 0.0026178 k( 180) = ( 0.0287852 0.0420751 0.2315848), wk = 0.0026178 k( 181) = ( 0.0215889 0.0315563 0.2315848), wk = 0.0026178 k( 182) = ( 0.0143926 0.0210376 0.2315848), wk = 0.0026178 k( 183) = ( 0.0071963 0.0105188 0.2315848), wk = 0.0026178 k( 184) = ( 0.0000000 0.0000000 0.2315848), wk = 0.0026178 k( 185) = ( 0.0000000 0.0000000 0.2315848), wk = 0.0026178 k( 186) = ( 0.0000000 0.0000000 0.2193961), wk = 0.0026178 k( 187) = ( 0.0000000 0.0000000 0.2072074), wk = 0.0026178 k( 188) = ( 0.0000000 0.0000000 0.1950188), wk = 0.0026178 k( 189) = ( 0.0000000 0.0000000 0.1828301), wk = 0.0026178 k( 190) = ( 0.0000000 0.0000000 0.1706414), wk = 0.0026178 k( 191) = ( 0.0000000 0.0000000 0.1584528), wk = 0.0026178 k( 192) = ( 0.0000000 0.0000000 0.1462641), wk = 0.0026178 k( 193) = ( 0.0000000 0.0000000 0.1340754), wk = 0.0026178 k( 194) = ( 0.0000000 0.0000000 0.1218867), wk = 0.0026178 k( 195) = ( 0.0000000 0.0000000 0.1096981), wk = 0.0026178 k( 196) = ( 0.0000000 0.0000000 0.0975094), wk = 0.0026178 k( 197) = ( 0.0000000 0.0000000 0.0853207), wk = 0.0026178 k( 198) = ( 0.0000000 0.0000000 0.0731320), wk = 0.0026178 k( 199) = ( 0.0000000 0.0000000 0.0609434), wk = 0.0026178 k( 200) = ( 0.0000000 0.0000000 0.0487547), wk = 0.0026178 k( 201) = ( 0.0000000 0.0000000 0.0365660), wk = 0.0026178 k( 202) = ( 0.0000000 0.0000000 0.0243773), wk = 0.0026178 k( 203) = ( 0.0000000 0.0000000 0.0121887), wk = 0.0026178 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 206) = ( -0.0104167 0.0071264 0.0000000), wk = 0.0026178 k( 207) = ( -0.0208333 0.0142529 0.0000000), wk = 0.0026178 k( 208) = ( -0.0312500 0.0213793 0.0000000), wk = 0.0026178 k( 209) = ( -0.0416667 0.0285057 0.0000000), wk = 0.0026178 k( 210) = ( -0.0520833 0.0356322 0.0000000), wk = 0.0026178 k( 211) = ( -0.0625000 0.0427586 0.0000000), wk = 0.0026178 k( 212) = ( -0.0729167 0.0498850 0.0000000), wk = 0.0026178 k( 213) = ( -0.0833333 0.0570115 0.0000000), wk = 0.0026178 k( 214) = ( -0.0937500 0.0641379 0.0000000), wk = 0.0026178 k( 215) = ( -0.1041667 0.0712644 0.0000000), wk = 0.0026178 k( 216) = ( -0.1145833 0.0783908 0.0000000), wk = 0.0026178 k( 217) = ( -0.1250000 0.0855172 0.0000000), wk = 0.0026178 k( 218) = ( -0.1354167 0.0926437 0.0000000), wk = 0.0026178 k( 219) = ( -0.1458333 0.0997701 0.0000000), wk = 0.0026178 k( 220) = ( -0.1562500 0.1068965 0.0000000), wk = 0.0026178 k( 221) = ( -0.1666667 0.1140230 0.0000000), wk = 0.0026178 k( 222) = ( -0.1770833 0.1211494 0.0000000), wk = 0.0026178 k( 223) = ( -0.1875000 0.1282758 0.0000000), wk = 0.0026178 k( 224) = ( -0.1979167 0.1354023 0.0000000), wk = 0.0026178 k( 225) = ( -0.2083333 0.1425287 0.0000000), wk = 0.0026178 k( 226) = ( -0.2187500 0.1496551 0.0000000), wk = 0.0026178 k( 227) = ( -0.2291667 0.1567816 0.0000000), wk = 0.0026178 k( 228) = ( -0.2395833 0.1639080 0.0000000), wk = 0.0026178 k( 229) = ( -0.2500000 0.1710344 0.0000000), wk = 0.0026178 k( 230) = ( -0.2604167 0.1781609 0.0000000), wk = 0.0026178 k( 231) = ( -0.2708333 0.1852873 0.0000000), wk = 0.0026178 k( 232) = ( -0.2812500 0.1924138 0.0000000), wk = 0.0026178 k( 233) = ( -0.2916667 0.1995402 0.0000000), wk = 0.0026178 k( 234) = ( -0.3020833 0.2066666 0.0000000), wk = 0.0026178 k( 235) = ( -0.3125000 0.2137931 0.0000000), wk = 0.0026178 k( 236) = ( -0.3229167 0.2209195 0.0000000), wk = 0.0026178 k( 237) = ( -0.3333333 0.2280459 0.0000000), wk = 0.0026178 k( 238) = ( -0.3437500 0.2351724 0.0000000), wk = 0.0026178 k( 239) = ( -0.3541667 0.2422988 0.0000000), wk = 0.0026178 k( 240) = ( -0.3645833 0.2494252 0.0000000), wk = 0.0026178 k( 241) = ( -0.3750000 0.2565517 0.0000000), wk = 0.0026178 k( 242) = ( -0.3854167 0.2636781 0.0000000), wk = 0.0026178 k( 243) = ( -0.3958333 0.2708045 0.0000000), wk = 0.0026178 k( 244) = ( -0.4062500 0.2779310 0.0000000), wk = 0.0026178 k( 245) = ( -0.4166667 0.2850574 0.0000000), wk = 0.0026178 k( 246) = ( -0.4270833 0.2921838 0.0000000), wk = 0.0026178 k( 247) = ( -0.4375000 0.2993103 0.0000000), wk = 0.0026178 k( 248) = ( -0.4479167 0.3064367 0.0000000), wk = 0.0026178 k( 249) = ( -0.4583333 0.3135631 0.0000000), wk = 0.0026178 k( 250) = ( -0.4687500 0.3206896 0.0000000), wk = 0.0026178 k( 251) = ( -0.4791667 0.3278160 0.0000000), wk = 0.0026178 k( 252) = ( -0.4895833 0.3349425 0.0000000), wk = 0.0026178 k( 253) = ( -0.5000000 0.3420689 0.0000000), wk = 0.0026178 k( 254) = ( -0.5000000 0.3420689 0.0000000), wk = 0.0026178 k( 255) = ( -0.4930006 0.3522999 -0.0000000), wk = 0.0026178 k( 256) = ( -0.4860012 0.3625309 -0.0000000), wk = 0.0026178 k( 257) = ( -0.4790018 0.3727619 -0.0000000), wk = 0.0026178 k( 258) = ( -0.4720023 0.3829929 -0.0000000), wk = 0.0026178 k( 259) = ( -0.4650029 0.3932239 -0.0000000), wk = 0.0026178 k( 260) = ( -0.4580035 0.4034549 -0.0000000), wk = 0.0026178 k( 261) = ( -0.4510041 0.4136859 -0.0000000), wk = 0.0026178 k( 262) = ( -0.4440047 0.4239169 -0.0000000), wk = 0.0026178 k( 263) = ( -0.4370053 0.4341479 -0.0000000), wk = 0.0026178 k( 264) = ( -0.4300059 0.4443789 -0.0000000), wk = 0.0026178 k( 265) = ( -0.4230064 0.4546099 -0.0000000), wk = 0.0026178 k( 266) = ( -0.4160070 0.4648409 -0.0000000), wk = 0.0026178 k( 267) = ( -0.4090076 0.4750719 -0.0000000), wk = 0.0026178 k( 268) = ( -0.4020082 0.4853029 -0.0000000), wk = 0.0026178 k( 269) = ( -0.3950088 0.4955339 -0.0000000), wk = 0.0026178 k( 270) = ( -0.3880094 0.5057649 -0.0000000), wk = 0.0026178 k( 271) = ( -0.3810100 0.5159959 -0.0000000), wk = 0.0026178 k( 272) = ( -0.3740105 0.5262269 -0.0000000), wk = 0.0026178 k( 273) = ( -0.3670111 0.5364579 -0.0000000), wk = 0.0026178 k( 274) = ( -0.3670111 0.5364579 -0.0000000), wk = 0.0026178 k( 275) = ( -0.3670111 0.5364579 0.0121887), wk = 0.0026178 k( 276) = ( -0.3670111 0.5364579 0.0243773), wk = 0.0026178 k( 277) = ( -0.3670111 0.5364579 0.0365660), wk = 0.0026178 k( 278) = ( -0.3670111 0.5364579 0.0487547), wk = 0.0026178 k( 279) = ( -0.3670111 0.5364579 0.0609434), wk = 0.0026178 k( 280) = ( -0.3670111 0.5364579 0.0731320), wk = 0.0026178 k( 281) = ( -0.3670111 0.5364579 0.0853207), wk = 0.0026178 k( 282) = ( -0.3670111 0.5364579 0.0975094), wk = 0.0026178 k( 283) = ( -0.3670111 0.5364579 0.1096981), wk = 0.0026178 k( 284) = ( -0.3670111 0.5364579 0.1218867), wk = 0.0026178 k( 285) = ( -0.3670111 0.5364579 0.1340754), wk = 0.0026178 k( 286) = ( -0.3670111 0.5364579 0.1462641), wk = 0.0026178 k( 287) = ( -0.3670111 0.5364579 0.1584528), wk = 0.0026178 k( 288) = ( -0.3670111 0.5364579 0.1706414), wk = 0.0026178 k( 289) = ( -0.3670111 0.5364579 0.1828301), wk = 0.0026178 k( 290) = ( -0.3670111 0.5364579 0.1950188), wk = 0.0026178 k( 291) = ( -0.3670111 0.5364579 0.2072074), wk = 0.0026178 k( 292) = ( -0.3670111 0.5364579 0.2193961), wk = 0.0026178 k( 293) = ( -0.3670111 0.5364579 0.2315848), wk = 0.0026178 k( 294) = ( -0.3670111 0.5364579 0.2315848), wk = 0.0026178 k( 295) = ( -0.3740105 0.5262269 0.2315848), wk = 0.0026178 k( 296) = ( -0.3810100 0.5159959 0.2315848), wk = 0.0026178 k( 297) = ( -0.3880094 0.5057649 0.2315848), wk = 0.0026178 k( 298) = ( -0.3950088 0.4955339 0.2315848), wk = 0.0026178 k( 299) = ( -0.4020082 0.4853029 0.2315848), wk = 0.0026178 k( 300) = ( -0.4090076 0.4750719 0.2315848), wk = 0.0026178 k( 301) = ( -0.4160070 0.4648409 0.2315848), wk = 0.0026178 k( 302) = ( -0.4230064 0.4546099 0.2315848), wk = 0.0026178 k( 303) = ( -0.4300059 0.4443789 0.2315848), wk = 0.0026178 k( 304) = ( -0.4370053 0.4341479 0.2315848), wk = 0.0026178 k( 305) = ( -0.4440047 0.4239169 0.2315848), wk = 0.0026178 k( 306) = ( -0.4510041 0.4136859 0.2315848), wk = 0.0026178 k( 307) = ( -0.4580035 0.4034549 0.2315848), wk = 0.0026178 k( 308) = ( -0.4650029 0.3932239 0.2315848), wk = 0.0026178 k( 309) = ( -0.4720023 0.3829929 0.2315848), wk = 0.0026178 k( 310) = ( -0.4790018 0.3727619 0.2315848), wk = 0.0026178 k( 311) = ( -0.4860012 0.3625309 0.2315848), wk = 0.0026178 k( 312) = ( -0.4930006 0.3522999 0.2315848), wk = 0.0026178 k( 313) = ( -0.5000000 0.3420689 0.2315848), wk = 0.0026178 k( 314) = ( -0.5000000 0.3420689 0.2315848), wk = 0.0026178 k( 315) = ( -0.5000000 0.3420689 0.2193961), wk = 0.0026178 k( 316) = ( -0.5000000 0.3420689 0.2072074), wk = 0.0026178 k( 317) = ( -0.5000000 0.3420689 0.1950188), wk = 0.0026178 k( 318) = ( -0.5000000 0.3420689 0.1828301), wk = 0.0026178 k( 319) = ( -0.5000000 0.3420689 0.1706414), wk = 0.0026178 k( 320) = ( -0.5000000 0.3420689 0.1584528), wk = 0.0026178 k( 321) = ( -0.5000000 0.3420689 0.1462641), wk = 0.0026178 k( 322) = ( -0.5000000 0.3420689 0.1340754), wk = 0.0026178 k( 323) = ( -0.5000000 0.3420689 0.1218867), wk = 0.0026178 k( 324) = ( -0.5000000 0.3420689 0.1096981), wk = 0.0026178 k( 325) = ( -0.5000000 0.3420689 0.0975094), wk = 0.0026178 k( 326) = ( -0.5000000 0.3420689 0.0853207), wk = 0.0026178 k( 327) = ( -0.5000000 0.3420689 0.0731320), wk = 0.0026178 k( 328) = ( -0.5000000 0.3420689 0.0609434), wk = 0.0026178 k( 329) = ( -0.5000000 0.3420689 0.0487547), wk = 0.0026178 k( 330) = ( -0.5000000 0.3420689 0.0365660), wk = 0.0026178 k( 331) = ( -0.5000000 0.3420689 0.0243773), wk = 0.0026178 k( 332) = ( -0.5000000 0.3420689 0.0121887), wk = 0.0026178 k( 333) = ( -0.5000000 0.3420689 0.0000000), wk = 0.0026178 k( 334) = ( 0.0000000 0.0000000 0.2315848), wk = 0.0026178 k( 335) = ( -0.0104167 0.0071264 0.2315848), wk = 0.0026178 k( 336) = ( -0.0208333 0.0142529 0.2315848), wk = 0.0026178 k( 337) = ( -0.0312500 0.0213793 0.2315848), wk = 0.0026178 k( 338) = ( -0.0416667 0.0285057 0.2315848), wk = 0.0026178 k( 339) = ( -0.0520833 0.0356322 0.2315848), wk = 0.0026178 k( 340) = ( -0.0625000 0.0427586 0.2315848), wk = 0.0026178 k( 341) = ( -0.0729167 0.0498850 0.2315848), wk = 0.0026178 k( 342) = ( -0.0833333 0.0570115 0.2315848), wk = 0.0026178 k( 343) = ( -0.0937500 0.0641379 0.2315848), wk = 0.0026178 k( 344) = ( -0.1041667 0.0712644 0.2315848), wk = 0.0026178 k( 345) = ( -0.1145833 0.0783908 0.2315848), wk = 0.0026178 k( 346) = ( -0.1250000 0.0855172 0.2315848), wk = 0.0026178 k( 347) = ( -0.1354167 0.0926437 0.2315848), wk = 0.0026178 k( 348) = ( -0.1458333 0.0997701 0.2315848), wk = 0.0026178 k( 349) = ( -0.1562500 0.1068965 0.2315848), wk = 0.0026178 k( 350) = ( -0.1666667 0.1140230 0.2315848), wk = 0.0026178 k( 351) = ( -0.1770833 0.1211494 0.2315848), wk = 0.0026178 k( 352) = ( -0.1875000 0.1282758 0.2315848), wk = 0.0026178 k( 353) = ( -0.1979167 0.1354023 0.2315848), wk = 0.0026178 k( 354) = ( -0.2083333 0.1425287 0.2315848), wk = 0.0026178 k( 355) = ( -0.2187500 0.1496551 0.2315848), wk = 0.0026178 k( 356) = ( -0.2291667 0.1567816 0.2315848), wk = 0.0026178 k( 357) = ( -0.2395833 0.1639080 0.2315848), wk = 0.0026178 k( 358) = ( -0.2500000 0.1710344 0.2315848), wk = 0.0026178 k( 359) = ( -0.2604167 0.1781609 0.2315848), wk = 0.0026178 k( 360) = ( -0.2708333 0.1852873 0.2315848), wk = 0.0026178 k( 361) = ( -0.2812500 0.1924138 0.2315848), wk = 0.0026178 k( 362) = ( -0.2916667 0.1995402 0.2315848), wk = 0.0026178 k( 363) = ( -0.3020833 0.2066666 0.2315848), wk = 0.0026178 k( 364) = ( -0.3125000 0.2137931 0.2315848), wk = 0.0026178 k( 365) = ( -0.3229167 0.2209195 0.2315848), wk = 0.0026178 k( 366) = ( -0.3333333 0.2280459 0.2315848), wk = 0.0026178 k( 367) = ( -0.3437500 0.2351724 0.2315848), wk = 0.0026178 k( 368) = ( -0.3541667 0.2422988 0.2315848), wk = 0.0026178 k( 369) = ( -0.3645833 0.2494252 0.2315848), wk = 0.0026178 k( 370) = ( -0.3750000 0.2565517 0.2315848), wk = 0.0026178 k( 371) = ( -0.3854167 0.2636781 0.2315848), wk = 0.0026178 k( 372) = ( -0.3958333 0.2708045 0.2315848), wk = 0.0026178 k( 373) = ( -0.4062500 0.2779310 0.2315848), wk = 0.0026178 k( 374) = ( -0.4166667 0.2850574 0.2315848), wk = 0.0026178 k( 375) = ( -0.4270833 0.2921838 0.2315848), wk = 0.0026178 k( 376) = ( -0.4375000 0.2993103 0.2315848), wk = 0.0026178 k( 377) = ( -0.4479167 0.3064367 0.2315848), wk = 0.0026178 k( 378) = ( -0.4583333 0.3135631 0.2315848), wk = 0.0026178 k( 379) = ( -0.4687500 0.3206896 0.2315848), wk = 0.0026178 k( 380) = ( -0.4791667 0.3278160 0.2315848), wk = 0.0026178 k( 381) = ( -0.4895833 0.3349425 0.2315848), wk = 0.0026178 k( 382) = ( -0.5000000 0.3420689 0.2315848), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0071963 0.0071963 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0143926 0.0143926 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0215889 0.0215889 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0287852 0.0287852 0.0000000), wk = 0.0026178 k( 6) = ( 0.0359815 0.0359815 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0431778 0.0431778 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0503741 0.0503741 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0575704 0.0575704 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0647667 0.0647667 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0719630 0.0719630 -0.0000000), wk = 0.0026178 k( 12) = ( 0.0791593 0.0791593 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0863556 0.0863556 -0.0000000), wk = 0.0026178 k( 14) = ( 0.0935519 0.0935519 -0.0000000), wk = 0.0026178 k( 15) = ( 0.1007481 0.1007482 0.0000000), wk = 0.0026178 k( 16) = ( 0.1079444 0.1079444 -0.0000000), wk = 0.0026178 k( 17) = ( 0.1151408 0.1151408 -0.0000000), wk = 0.0026178 k( 18) = ( 0.1223370 0.1223370 -0.0000000), wk = 0.0026178 k( 19) = ( 0.1295333 0.1295333 -0.0000000), wk = 0.0026178 k( 20) = ( 0.1367296 0.1367296 -0.0000000), wk = 0.0026178 k( 21) = ( 0.1439259 0.1439259 -0.0000000), wk = 0.0026178 k( 22) = ( 0.1511222 0.1511222 0.0000000), wk = 0.0026178 k( 23) = ( 0.1583185 0.1583185 -0.0000000), wk = 0.0026178 k( 24) = ( 0.1655148 0.1655148 -0.0000000), wk = 0.0026178 k( 25) = ( 0.1727111 0.1727111 -0.0000000), wk = 0.0026178 k( 26) = ( 0.1799074 0.1799074 -0.0000000), wk = 0.0026178 k( 27) = ( 0.1871037 0.1871037 0.0000000), wk = 0.0026178 k( 28) = ( 0.1943000 0.1943000 -0.0000000), wk = 0.0026178 k( 29) = ( 0.2014963 0.2014963 -0.0000000), wk = 0.0026178 k( 30) = ( 0.2086926 0.2086926 -0.0000000), wk = 0.0026178 k( 31) = ( 0.2158889 0.2158889 -0.0000000), wk = 0.0026178 k( 32) = ( 0.2230852 0.2230852 -0.0000000), wk = 0.0026178 k( 33) = ( 0.2302815 0.2302815 -0.0000000), wk = 0.0026178 k( 34) = ( 0.2374778 0.2374778 -0.0000000), wk = 0.0026178 k( 35) = ( 0.2446741 0.2446741 -0.0000000), wk = 0.0026178 k( 36) = ( 0.2518704 0.2518704 -0.0000000), wk = 0.0026178 k( 37) = ( 0.2590667 0.2590667 -0.0000000), wk = 0.0026178 k( 38) = ( 0.2662630 0.2662630 -0.0000000), wk = 0.0026178 k( 39) = ( 0.2734593 0.2734593 -0.0000000), wk = 0.0026178 k( 40) = ( 0.2806556 0.2806556 0.0000000), wk = 0.0026178 k( 41) = ( 0.2878519 0.2878519 -0.0000000), wk = 0.0026178 k( 42) = ( 0.2950482 0.2950482 -0.0000000), wk = 0.0026178 k( 43) = ( 0.3022445 0.3022445 0.0000000), wk = 0.0026178 k( 44) = ( 0.3094407 0.3094407 -0.0000000), wk = 0.0026178 k( 45) = ( 0.3166370 0.3166370 0.0000000), wk = 0.0026178 k( 46) = ( 0.3238334 0.3238334 0.0000000), wk = 0.0026178 k( 47) = ( 0.3310296 0.3310296 -0.0000000), wk = 0.0026178 k( 48) = ( 0.3382259 0.3382259 0.0000000), wk = 0.0026178 k( 49) = ( 0.3454222 0.3454222 -0.0000000), wk = 0.0026178 k( 50) = ( 0.3526185 0.3526185 0.0000000), wk = 0.0026178 k( 51) = ( 0.3598148 0.3598148 -0.0000000), wk = 0.0026178 k( 52) = ( 0.3670111 0.3670111 -0.0000000), wk = 0.0026178 k( 53) = ( 0.3670111 0.3670111 -0.0000000), wk = 0.0026178 k( 54) = ( 0.3543556 0.3715969 -0.0000000), wk = 0.0026178 k( 55) = ( 0.3417000 0.3761828 -0.0000000), wk = 0.0026178 k( 56) = ( 0.3290445 0.3807686 0.0000000), wk = 0.0026178 k( 57) = ( 0.3163889 0.3853544 -0.0000000), wk = 0.0026178 k( 58) = ( 0.3037334 0.3899402 0.0000000), wk = 0.0026178 k( 59) = ( 0.2910778 0.3945261 0.0000000), wk = 0.0026178 k( 60) = ( 0.2784222 0.3991119 -0.0000000), wk = 0.0026178 k( 61) = ( 0.2657667 0.4036977 -0.0000000), wk = 0.0026178 k( 62) = ( 0.2531111 0.4082835 0.0000000), wk = 0.0026178 k( 63) = ( 0.2404556 0.4128694 0.0000000), wk = 0.0026178 k( 64) = ( 0.2278000 0.4174552 0.0000000), wk = 0.0026178 k( 65) = ( 0.2151444 0.4220410 -0.0000000), wk = 0.0026178 k( 66) = ( 0.2024889 0.4266268 -0.0000000), wk = 0.0026178 k( 67) = ( 0.1898333 0.4312126 -0.0000000), wk = 0.0026178 k( 68) = ( 0.1771778 0.4357985 -0.0000000), wk = 0.0026178 k( 69) = ( 0.1645222 0.4403843 0.0000000), wk = 0.0026178 k( 70) = ( 0.1518667 0.4449701 -0.0000000), wk = 0.0026178 k( 71) = ( 0.1392111 0.4495559 -0.0000000), wk = 0.0026178 k( 72) = ( 0.1265556 0.4541418 -0.0000000), wk = 0.0026178 k( 73) = ( 0.1139000 0.4587276 0.0000000), wk = 0.0026178 k( 74) = ( 0.1012444 0.4633134 0.0000000), wk = 0.0026178 k( 75) = ( 0.0885889 0.4678992 0.0000000), wk = 0.0026178 k( 76) = ( 0.0759333 0.4724851 -0.0000000), wk = 0.0026178 k( 77) = ( 0.0632778 0.4770709 0.0000000), wk = 0.0026178 k( 78) = ( 0.0506222 0.4816567 -0.0000000), wk = 0.0026178 k( 79) = ( 0.0379667 0.4862425 0.0000000), wk = 0.0026178 k( 80) = ( 0.0253111 0.4908283 -0.0000000), wk = 0.0026178 k( 81) = ( 0.0126556 0.4954142 0.0000000), wk = 0.0026178 k( 82) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 83) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 84) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0026178 k( 85) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0026178 k( 86) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0026178 k( 87) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0026178 k( 88) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0026178 k( 89) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0026178 k( 90) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0026178 k( 91) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0026178 k( 92) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0026178 k( 93) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0026178 k( 94) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0026178 k( 95) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0026178 k( 96) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0026178 k( 97) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0026178 k( 98) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0026178 k( 99) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0026178 k( 100) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0026178 k( 101) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0026178 k( 102) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 103) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 104) = ( 0.0126556 0.4954142 0.5000000), wk = 0.0026178 k( 105) = ( 0.0253111 0.4908283 0.5000000), wk = 0.0026178 k( 106) = ( 0.0379667 0.4862425 0.5000000), wk = 0.0026178 k( 107) = ( 0.0506222 0.4816567 0.5000000), wk = 0.0026178 k( 108) = ( 0.0632778 0.4770709 0.5000000), wk = 0.0026178 k( 109) = ( 0.0759333 0.4724851 0.5000000), wk = 0.0026178 k( 110) = ( 0.0885889 0.4678992 0.5000000), wk = 0.0026178 k( 111) = ( 0.1012444 0.4633134 0.5000000), wk = 0.0026178 k( 112) = ( 0.1139000 0.4587276 0.5000000), wk = 0.0026178 k( 113) = ( 0.1265556 0.4541418 0.5000000), wk = 0.0026178 k( 114) = ( 0.1392111 0.4495559 0.5000000), wk = 0.0026178 k( 115) = ( 0.1518667 0.4449701 0.5000000), wk = 0.0026178 k( 116) = ( 0.1645222 0.4403843 0.5000000), wk = 0.0026178 k( 117) = ( 0.1771778 0.4357985 0.5000000), wk = 0.0026178 k( 118) = ( 0.1898333 0.4312126 0.5000000), wk = 0.0026178 k( 119) = ( 0.2024889 0.4266268 0.5000000), wk = 0.0026178 k( 120) = ( 0.2151444 0.4220410 0.5000000), wk = 0.0026178 k( 121) = ( 0.2278000 0.4174552 0.5000000), wk = 0.0026178 k( 122) = ( 0.2404556 0.4128694 0.5000000), wk = 0.0026178 k( 123) = ( 0.2531111 0.4082835 0.5000000), wk = 0.0026178 k( 124) = ( 0.2657667 0.4036977 0.5000000), wk = 0.0026178 k( 125) = ( 0.2784222 0.3991119 0.5000000), wk = 0.0026178 k( 126) = ( 0.2910778 0.3945261 0.5000000), wk = 0.0026178 k( 127) = ( 0.3037334 0.3899402 0.5000000), wk = 0.0026178 k( 128) = ( 0.3163889 0.3853544 0.5000000), wk = 0.0026178 k( 129) = ( 0.3290445 0.3807686 0.5000000), wk = 0.0026178 k( 130) = ( 0.3417000 0.3761828 0.5000000), wk = 0.0026178 k( 131) = ( 0.3543556 0.3715969 0.5000000), wk = 0.0026178 k( 132) = ( 0.3670111 0.3670111 0.5000000), wk = 0.0026178 k( 133) = ( 0.3670111 0.3670111 0.5000000), wk = 0.0026178 k( 134) = ( 0.3598148 0.3598148 0.5000000), wk = 0.0026178 k( 135) = ( 0.3526185 0.3526185 0.5000000), wk = 0.0026178 k( 136) = ( 0.3454222 0.3454222 0.5000000), wk = 0.0026178 k( 137) = ( 0.3382259 0.3382259 0.5000000), wk = 0.0026178 k( 138) = ( 0.3310296 0.3310296 0.5000000), wk = 0.0026178 k( 139) = ( 0.3238334 0.3238334 0.5000000), wk = 0.0026178 k( 140) = ( 0.3166370 0.3166370 0.5000000), wk = 0.0026178 k( 141) = ( 0.3094407 0.3094407 0.5000000), wk = 0.0026178 k( 142) = ( 0.3022445 0.3022445 0.5000000), wk = 0.0026178 k( 143) = ( 0.2950482 0.2950482 0.5000000), wk = 0.0026178 k( 144) = ( 0.2878519 0.2878519 0.5000000), wk = 0.0026178 k( 145) = ( 0.2806556 0.2806556 0.5000000), wk = 0.0026178 k( 146) = ( 0.2734593 0.2734593 0.5000000), wk = 0.0026178 k( 147) = ( 0.2662630 0.2662630 0.5000000), wk = 0.0026178 k( 148) = ( 0.2590667 0.2590667 0.5000000), wk = 0.0026178 k( 149) = ( 0.2518704 0.2518704 0.5000000), wk = 0.0026178 k( 150) = ( 0.2446741 0.2446741 0.5000000), wk = 0.0026178 k( 151) = ( 0.2374778 0.2374778 0.5000000), wk = 0.0026178 k( 152) = ( 0.2302815 0.2302815 0.5000000), wk = 0.0026178 k( 153) = ( 0.2230852 0.2230852 0.5000000), wk = 0.0026178 k( 154) = ( 0.2158889 0.2158889 0.5000000), wk = 0.0026178 k( 155) = ( 0.2086926 0.2086926 0.5000000), wk = 0.0026178 k( 156) = ( 0.2014963 0.2014963 0.5000000), wk = 0.0026178 k( 157) = ( 0.1943000 0.1943000 0.5000000), wk = 0.0026178 k( 158) = ( 0.1871037 0.1871037 0.5000000), wk = 0.0026178 k( 159) = ( 0.1799074 0.1799074 0.5000000), wk = 0.0026178 k( 160) = ( 0.1727111 0.1727111 0.5000000), wk = 0.0026178 k( 161) = ( 0.1655148 0.1655148 0.5000000), wk = 0.0026178 k( 162) = ( 0.1583185 0.1583185 0.5000000), wk = 0.0026178 k( 163) = ( 0.1511222 0.1511222 0.5000000), wk = 0.0026178 k( 164) = ( 0.1439259 0.1439259 0.5000000), wk = 0.0026178 k( 165) = ( 0.1367296 0.1367296 0.5000000), wk = 0.0026178 k( 166) = ( 0.1295333 0.1295333 0.5000000), wk = 0.0026178 k( 167) = ( 0.1223370 0.1223370 0.5000000), wk = 0.0026178 k( 168) = ( 0.1151408 0.1151408 0.5000000), wk = 0.0026178 k( 169) = ( 0.1079444 0.1079444 0.5000000), wk = 0.0026178 k( 170) = ( 0.1007481 0.1007482 0.5000000), wk = 0.0026178 k( 171) = ( 0.0935519 0.0935519 0.5000000), wk = 0.0026178 k( 172) = ( 0.0863556 0.0863556 0.5000000), wk = 0.0026178 k( 173) = ( 0.0791593 0.0791593 0.5000000), wk = 0.0026178 k( 174) = ( 0.0719630 0.0719630 0.5000000), wk = 0.0026178 k( 175) = ( 0.0647667 0.0647667 0.5000000), wk = 0.0026178 k( 176) = ( 0.0575704 0.0575704 0.5000000), wk = 0.0026178 k( 177) = ( 0.0503741 0.0503741 0.5000000), wk = 0.0026178 k( 178) = ( 0.0431778 0.0431778 0.5000000), wk = 0.0026178 k( 179) = ( 0.0359815 0.0359815 0.5000000), wk = 0.0026178 k( 180) = ( 0.0287852 0.0287852 0.5000000), wk = 0.0026178 k( 181) = ( 0.0215889 0.0215889 0.5000000), wk = 0.0026178 k( 182) = ( 0.0143926 0.0143926 0.5000000), wk = 0.0026178 k( 183) = ( 0.0071963 0.0071963 0.5000000), wk = 0.0026178 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 186) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0026178 k( 187) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0026178 k( 188) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0026178 k( 189) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0026178 k( 190) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0026178 k( 191) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0026178 k( 192) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0026178 k( 193) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0026178 k( 194) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026178 k( 195) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0026178 k( 196) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0026178 k( 197) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0026178 k( 198) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0026178 k( 199) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0026178 k( 200) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0026178 k( 201) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0026178 k( 202) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0026178 k( 203) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0026178 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 206) = ( -0.0104167 0.0104167 0.0000000), wk = 0.0026178 k( 207) = ( -0.0208333 0.0208333 -0.0000000), wk = 0.0026178 k( 208) = ( -0.0312500 0.0312500 -0.0000000), wk = 0.0026178 k( 209) = ( -0.0416667 0.0416667 -0.0000000), wk = 0.0026178 k( 210) = ( -0.0520833 0.0520833 -0.0000000), wk = 0.0026178 k( 211) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0026178 k( 212) = ( -0.0729167 0.0729167 -0.0000000), wk = 0.0026178 k( 213) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0026178 k( 214) = ( -0.0937500 0.0937500 0.0000000), wk = 0.0026178 k( 215) = ( -0.1041667 0.1041667 0.0000000), wk = 0.0026178 k( 216) = ( -0.1145833 0.1145833 -0.0000000), wk = 0.0026178 k( 217) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0026178 k( 218) = ( -0.1354167 0.1354167 0.0000000), wk = 0.0026178 k( 219) = ( -0.1458333 0.1458333 0.0000000), wk = 0.0026178 k( 220) = ( -0.1562500 0.1562500 -0.0000000), wk = 0.0026178 k( 221) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0026178 k( 222) = ( -0.1770833 0.1770833 -0.0000000), wk = 0.0026178 k( 223) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0026178 k( 224) = ( -0.1979167 0.1979167 0.0000000), wk = 0.0026178 k( 225) = ( -0.2083333 0.2083333 -0.0000000), wk = 0.0026178 k( 226) = ( -0.2187500 0.2187500 0.0000000), wk = 0.0026178 k( 227) = ( -0.2291667 0.2291667 -0.0000000), wk = 0.0026178 k( 228) = ( -0.2395833 0.2395833 -0.0000000), wk = 0.0026178 k( 229) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026178 k( 230) = ( -0.2604167 0.2604167 -0.0000000), wk = 0.0026178 k( 231) = ( -0.2708333 0.2708333 0.0000000), wk = 0.0026178 k( 232) = ( -0.2812500 0.2812500 -0.0000000), wk = 0.0026178 k( 233) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0026178 k( 234) = ( -0.3020833 0.3020833 -0.0000000), wk = 0.0026178 k( 235) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0026178 k( 236) = ( -0.3229167 0.3229167 0.0000000), wk = 0.0026178 k( 237) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0026178 k( 238) = ( -0.3437500 0.3437500 -0.0000000), wk = 0.0026178 k( 239) = ( -0.3541667 0.3541667 0.0000000), wk = 0.0026178 k( 240) = ( -0.3645833 0.3645833 -0.0000000), wk = 0.0026178 k( 241) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026178 k( 242) = ( -0.3854167 0.3854167 0.0000000), wk = 0.0026178 k( 243) = ( -0.3958333 0.3958333 -0.0000000), wk = 0.0026178 k( 244) = ( -0.4062500 0.4062500 0.0000000), wk = 0.0026178 k( 245) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026178 k( 246) = ( -0.4270833 0.4270833 -0.0000000), wk = 0.0026178 k( 247) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0026178 k( 248) = ( -0.4479167 0.4479167 -0.0000000), wk = 0.0026178 k( 249) = ( -0.4583333 0.4583333 0.0000000), wk = 0.0026178 k( 250) = ( -0.4687500 0.4687500 0.0000000), wk = 0.0026178 k( 251) = ( -0.4791667 0.4791667 -0.0000000), wk = 0.0026178 k( 252) = ( -0.4895833 0.4895833 -0.0000000), wk = 0.0026178 k( 253) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 254) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 255) = ( -0.4930006 0.5069994 0.0000000), wk = 0.0026178 k( 256) = ( -0.4860012 0.5139988 -0.0000000), wk = 0.0026178 k( 257) = ( -0.4790018 0.5209982 -0.0000000), wk = 0.0026178 k( 258) = ( -0.4720023 0.5279977 -0.0000000), wk = 0.0026178 k( 259) = ( -0.4650029 0.5349971 -0.0000000), wk = 0.0026178 k( 260) = ( -0.4580035 0.5419965 -0.0000000), wk = 0.0026178 k( 261) = ( -0.4510041 0.5489959 -0.0000000), wk = 0.0026178 k( 262) = ( -0.4440047 0.5559953 -0.0000000), wk = 0.0026178 k( 263) = ( -0.4370053 0.5629947 -0.0000000), wk = 0.0026178 k( 264) = ( -0.4300059 0.5699941 0.0000000), wk = 0.0026178 k( 265) = ( -0.4230064 0.5769936 -0.0000000), wk = 0.0026178 k( 266) = ( -0.4160070 0.5839930 -0.0000000), wk = 0.0026178 k( 267) = ( -0.4090076 0.5909924 0.0000000), wk = 0.0026178 k( 268) = ( -0.4020082 0.5979918 -0.0000000), wk = 0.0026178 k( 269) = ( -0.3950088 0.6049912 -0.0000000), wk = 0.0026178 k( 270) = ( -0.3880094 0.6119906 -0.0000000), wk = 0.0026178 k( 271) = ( -0.3810100 0.6189900 -0.0000000), wk = 0.0026178 k( 272) = ( -0.3740105 0.6259895 -0.0000000), wk = 0.0026178 k( 273) = ( -0.3670111 0.6329889 -0.0000000), wk = 0.0026178 k( 274) = ( -0.3670111 0.6329889 -0.0000000), wk = 0.0026178 k( 275) = ( -0.3670111 0.6329889 0.0263158), wk = 0.0026178 k( 276) = ( -0.3670111 0.6329889 0.0526316), wk = 0.0026178 k( 277) = ( -0.3670111 0.6329889 0.0789474), wk = 0.0026178 k( 278) = ( -0.3670111 0.6329889 0.1052632), wk = 0.0026178 k( 279) = ( -0.3670111 0.6329889 0.1315790), wk = 0.0026178 k( 280) = ( -0.3670111 0.6329889 0.1578947), wk = 0.0026178 k( 281) = ( -0.3670111 0.6329889 0.1842105), wk = 0.0026178 k( 282) = ( -0.3670111 0.6329889 0.2105263), wk = 0.0026178 k( 283) = ( -0.3670111 0.6329889 0.2368421), wk = 0.0026178 k( 284) = ( -0.3670111 0.6329889 0.2631579), wk = 0.0026178 k( 285) = ( -0.3670111 0.6329889 0.2894737), wk = 0.0026178 k( 286) = ( -0.3670111 0.6329889 0.3157895), wk = 0.0026178 k( 287) = ( -0.3670111 0.6329889 0.3421053), wk = 0.0026178 k( 288) = ( -0.3670111 0.6329889 0.3684211), wk = 0.0026178 k( 289) = ( -0.3670111 0.6329889 0.3947368), wk = 0.0026178 k( 290) = ( -0.3670111 0.6329889 0.4210526), wk = 0.0026178 k( 291) = ( -0.3670111 0.6329889 0.4473684), wk = 0.0026178 k( 292) = ( -0.3670111 0.6329889 0.4736842), wk = 0.0026178 k( 293) = ( -0.3670111 0.6329889 0.5000000), wk = 0.0026178 k( 294) = ( -0.3670111 0.6329889 0.5000000), wk = 0.0026178 k( 295) = ( -0.3740105 0.6259895 0.5000000), wk = 0.0026178 k( 296) = ( -0.3810100 0.6189900 0.5000000), wk = 0.0026178 k( 297) = ( -0.3880094 0.6119906 0.5000000), wk = 0.0026178 k( 298) = ( -0.3950088 0.6049912 0.5000000), wk = 0.0026178 k( 299) = ( -0.4020082 0.5979918 0.5000000), wk = 0.0026178 k( 300) = ( -0.4090076 0.5909924 0.5000000), wk = 0.0026178 k( 301) = ( -0.4160070 0.5839930 0.5000000), wk = 0.0026178 k( 302) = ( -0.4230064 0.5769936 0.5000000), wk = 0.0026178 k( 303) = ( -0.4300059 0.5699941 0.5000000), wk = 0.0026178 k( 304) = ( -0.4370053 0.5629947 0.5000000), wk = 0.0026178 k( 305) = ( -0.4440047 0.5559953 0.5000000), wk = 0.0026178 k( 306) = ( -0.4510041 0.5489959 0.5000000), wk = 0.0026178 k( 307) = ( -0.4580035 0.5419965 0.5000000), wk = 0.0026178 k( 308) = ( -0.4650029 0.5349971 0.5000000), wk = 0.0026178 k( 309) = ( -0.4720023 0.5279977 0.5000000), wk = 0.0026178 k( 310) = ( -0.4790018 0.5209982 0.5000000), wk = 0.0026178 k( 311) = ( -0.4860012 0.5139988 0.5000000), wk = 0.0026178 k( 312) = ( -0.4930006 0.5069994 0.5000000), wk = 0.0026178 k( 313) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 314) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 315) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0026178 k( 316) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0026178 k( 317) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0026178 k( 318) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0026178 k( 319) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0026178 k( 320) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0026178 k( 321) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0026178 k( 322) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0026178 k( 323) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0026178 k( 324) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0026178 k( 325) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0026178 k( 326) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0026178 k( 327) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0026178 k( 328) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0026178 k( 329) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0026178 k( 330) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0026178 k( 331) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0026178 k( 332) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0026178 k( 333) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 335) = ( -0.0104167 0.0104167 0.5000000), wk = 0.0026178 k( 336) = ( -0.0208333 0.0208333 0.5000000), wk = 0.0026178 k( 337) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0026178 k( 338) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026178 k( 339) = ( -0.0520833 0.0520833 0.5000000), wk = 0.0026178 k( 340) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0026178 k( 341) = ( -0.0729167 0.0729167 0.5000000), wk = 0.0026178 k( 342) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026178 k( 343) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0026178 k( 344) = ( -0.1041667 0.1041667 0.5000000), wk = 0.0026178 k( 345) = ( -0.1145833 0.1145833 0.5000000), wk = 0.0026178 k( 346) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026178 k( 347) = ( -0.1354167 0.1354167 0.5000000), wk = 0.0026178 k( 348) = ( -0.1458333 0.1458333 0.5000000), wk = 0.0026178 k( 349) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0026178 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026178 k( 351) = ( -0.1770833 0.1770833 0.5000000), wk = 0.0026178 k( 352) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0026178 k( 353) = ( -0.1979167 0.1979167 0.5000000), wk = 0.0026178 k( 354) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026178 k( 355) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0026178 k( 356) = ( -0.2291667 0.2291667 0.5000000), wk = 0.0026178 k( 357) = ( -0.2395833 0.2395833 0.5000000), wk = 0.0026178 k( 358) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026178 k( 359) = ( -0.2604167 0.2604167 0.5000000), wk = 0.0026178 k( 360) = ( -0.2708333 0.2708333 0.5000000), wk = 0.0026178 k( 361) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0026178 k( 362) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026178 k( 363) = ( -0.3020833 0.3020833 0.5000000), wk = 0.0026178 k( 364) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0026178 k( 365) = ( -0.3229167 0.3229167 0.5000000), wk = 0.0026178 k( 366) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026178 k( 367) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0026178 k( 368) = ( -0.3541667 0.3541667 0.5000000), wk = 0.0026178 k( 369) = ( -0.3645833 0.3645833 0.5000000), wk = 0.0026178 k( 370) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026178 k( 371) = ( -0.3854167 0.3854167 0.5000000), wk = 0.0026178 k( 372) = ( -0.3958333 0.3958333 0.5000000), wk = 0.0026178 k( 373) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0026178 k( 374) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026178 k( 375) = ( -0.4270833 0.4270833 0.5000000), wk = 0.0026178 k( 376) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0026178 k( 377) = ( -0.4479167 0.4479167 0.5000000), wk = 0.0026178 k( 378) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026178 k( 379) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0026178 k( 380) = ( -0.4791667 0.4791667 0.5000000), wk = 0.0026178 k( 381) = ( -0.4895833 0.4895833 0.5000000), wk = 0.0026178 k( 382) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 Dense grid: 57215 G-vectors FFT dimensions: ( 40, 40, 81) Smooth grid: 42569 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 304, 36) NL pseudopotentials 0.13 Mb ( 152, 56) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1591) G-vector shells 0.01 Mb ( 810) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 304, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.06 Mb ( 56, 2, 36) The potential is recalculated from file : ./Br.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.7 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.4 secs Computing kpt #: 18 total cpu time spent up to now is 5.7 secs Computing kpt #: 19 total cpu time spent up to now is 5.9 secs Computing kpt #: 20 total cpu time spent up to now is 6.1 secs Computing kpt #: 21 total cpu time spent up to now is 6.3 secs Computing kpt #: 22 total cpu time spent up to now is 6.6 secs Computing kpt #: 23 total cpu time spent up to now is 6.8 secs Computing kpt #: 24 total cpu time spent up to now is 7.1 secs Computing kpt #: 25 total cpu time spent up to now is 7.3 secs Computing kpt #: 26 total cpu time spent up to now is 7.6 secs Computing kpt #: 27 total cpu time spent up to now is 7.9 secs Computing kpt #: 28 total cpu time spent up to now is 8.2 secs Computing kpt #: 29 total cpu time spent up to now is 8.6 secs Computing kpt #: 30 total cpu time spent up to now is 8.9 secs Computing kpt #: 31 total cpu time spent up to now is 9.2 secs Computing kpt #: 32 total cpu time spent up to now is 9.5 secs Computing kpt #: 33 total cpu time spent up to now is 9.8 secs Computing kpt #: 34 total cpu time spent up to now is 10.1 secs Computing kpt #: 35 total cpu time spent up to now is 10.4 secs Computing kpt #: 36 total cpu time spent up to now is 10.7 secs Computing kpt #: 37 total cpu time spent up to now is 11.0 secs Computing kpt #: 38 total cpu time spent up to now is 11.3 secs Computing kpt #: 39 total cpu time spent up to now is 11.6 secs Computing kpt #: 40 total cpu time spent up to now is 11.8 secs Computing kpt #: 41 total cpu time spent up to now is 12.1 secs Computing kpt #: 42 total cpu time spent up to now is 12.3 secs Computing kpt #: 43 total cpu time spent up to now is 12.6 secs Computing kpt #: 44 total cpu time spent up to now is 12.8 secs Computing kpt #: 45 total cpu time spent up to now is 13.1 secs Computing kpt #: 46 total cpu time spent up to now is 13.3 secs Computing kpt #: 47 total cpu time spent up to now is 13.6 secs Computing kpt #: 48 total cpu time spent up to now is 13.8 secs Computing kpt #: 49 total cpu time spent up to now is 14.1 secs Computing kpt #: 50 total cpu time spent up to now is 14.4 secs Computing kpt #: 51 total cpu time spent up to now is 14.7 secs Computing kpt #: 52 total cpu time spent up to now is 15.0 secs Computing kpt #: 53 total cpu time spent up to now is 15.2 secs Computing kpt #: 54 total cpu time spent up to now is 15.5 secs Computing kpt #: 55 total cpu time spent up to now is 15.8 secs Computing kpt #: 56 total cpu time spent up to now is 16.1 secs Computing kpt #: 57 total cpu time spent up to now is 16.4 secs Computing kpt #: 58 total cpu time spent up to now is 16.6 secs Computing kpt #: 59 total cpu time spent up to now is 16.9 secs Computing kpt #: 60 total cpu time spent up to now is 17.1 secs Computing kpt #: 61 total cpu time spent up to now is 17.4 secs Computing kpt #: 62 total cpu time spent up to now is 17.7 secs Computing kpt #: 63 total cpu time spent up to now is 18.0 secs Computing kpt #: 64 total cpu time spent up to now is 18.3 secs Computing kpt #: 65 total cpu time spent up to now is 18.6 secs Computing kpt #: 66 total cpu time spent up to now is 18.9 secs Computing kpt #: 67 total cpu time spent up to now is 19.2 secs Computing kpt #: 68 total cpu time spent up to now is 19.5 secs Computing kpt #: 69 total cpu time spent up to now is 19.8 secs Computing kpt #: 70 total cpu time spent up to now is 20.1 secs Computing kpt #: 71 total cpu time spent up to now is 20.3 secs Computing kpt #: 72 total cpu time spent up to now is 20.6 secs Computing kpt #: 73 total cpu time spent up to now is 20.8 secs Computing kpt #: 74 total cpu time spent up to now is 21.1 secs Computing kpt #: 75 total cpu time spent up to now is 21.3 secs Computing kpt #: 76 total cpu time spent up to now is 21.5 secs Computing kpt #: 77 total cpu time spent up to now is 21.8 secs Computing kpt #: 78 total cpu time spent up to now is 22.0 secs Computing kpt #: 79 total cpu time spent up to now is 22.3 secs Computing kpt #: 80 total cpu time spent up to now is 22.5 secs Computing kpt #: 81 total cpu time spent up to now is 22.7 secs Computing kpt #: 82 total cpu time spent up to now is 23.0 secs Computing kpt #: 83 total cpu time spent up to now is 23.2 secs Computing kpt #: 84 total cpu time spent up to now is 23.4 secs Computing kpt #: 85 total cpu time spent up to now is 23.7 secs Computing kpt #: 86 total cpu time spent up to now is 23.9 secs Computing kpt #: 87 total cpu time spent up to now is 24.1 secs Computing kpt #: 88 total cpu time spent up to now is 24.4 secs Computing kpt #: 89 total cpu time spent up to now is 24.6 secs Computing kpt #: 90 total cpu time spent up to now is 24.9 secs Computing kpt #: 91 total cpu time spent up to now is 25.1 secs Computing kpt #: 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Computing kpt #: 123 total cpu time spent up to now is 33.1 secs Computing kpt #: 124 total cpu time spent up to now is 33.4 secs Computing kpt #: 125 total cpu time spent up to now is 33.7 secs Computing kpt #: 126 total cpu time spent up to now is 34.1 secs Computing kpt #: 127 total cpu time spent up to now is 34.5 secs Computing kpt #: 128 total cpu time spent up to now is 34.8 secs Computing kpt #: 129 total cpu time spent up to now is 35.2 secs Computing kpt #: 130 total cpu time spent up to now is 35.5 secs Computing kpt #: 131 total cpu time spent up to now is 35.9 secs Computing kpt #: 132 total cpu time spent up to now is 36.2 secs Computing kpt #: 133 total cpu time spent up to now is 36.6 secs Computing kpt #: 134 total cpu time spent up to now is 36.9 secs Computing kpt #: 135 total cpu time spent up to now is 37.3 secs Computing kpt #: 136 total cpu time spent up to now is 37.6 secs Computing kpt #: 137 total cpu time spent up to now is 38.0 secs Computing kpt #: 138 total cpu time spent up to now is 38.4 secs Computing kpt #: 139 total cpu time spent up to now is 38.8 secs Computing kpt #: 140 total cpu time spent up to now is 39.2 secs Computing kpt #: 141 total cpu time spent up to now is 39.5 secs Computing kpt #: 142 total cpu time spent up to now is 39.9 secs Computing kpt #: 143 total cpu time spent up to now is 40.2 secs Computing kpt #: 144 total cpu time spent up to now is 40.5 secs Computing kpt #: 145 total cpu time spent up to now is 40.9 secs Computing kpt #: 146 total cpu time spent up to now is 41.3 secs Computing kpt #: 147 total cpu time spent up to now is 41.7 secs Computing kpt #: 148 total cpu time spent up to now is 42.0 secs Computing kpt #: 149 total cpu time spent up to now is 42.3 secs Computing kpt #: 150 total cpu time spent up to now is 42.6 secs Computing kpt #: 151 total cpu time spent up to now is 42.9 secs Computing kpt #: 152 total cpu time spent up to now is 43.2 secs Computing kpt #: 153 total cpu time spent up to now is 43.4 secs Computing kpt #: 154 total cpu time spent up to now is 43.7 secs Computing kpt #: 155 total cpu time spent up to now is 43.9 secs Computing kpt #: 156 total cpu time spent up to now is 44.1 secs Computing kpt #: 157 total cpu time spent up to now is 44.4 secs Computing kpt #: 158 total cpu time spent up to now is 44.6 secs Computing kpt #: 159 total cpu time spent up to now is 44.8 secs Computing kpt #: 160 total cpu time spent up to now is 45.1 secs Computing kpt #: 161 total cpu time spent up to now is 45.3 secs Computing kpt #: 162 total cpu time spent up to now is 45.5 secs Computing kpt #: 163 total cpu time spent up to now is 45.8 secs Computing kpt #: 164 total cpu time spent up to now is 46.0 secs Computing kpt #: 165 total cpu time spent up to now is 46.2 secs Computing kpt #: 166 total cpu time spent up to now is 46.4 secs Computing kpt #: 167 total cpu time spent up to now is 46.7 secs Computing kpt #: 168 total cpu time spent up to now is 46.9 secs Computing kpt #: 169 total cpu time spent up to now is 47.1 secs Computing kpt #: 170 total cpu time spent up to now is 47.3 secs Computing kpt #: 171 total cpu time spent up to now is 47.6 secs Computing kpt #: 172 total cpu time spent up to now is 47.8 secs Computing kpt #: 173 total cpu time spent up to now is 48.0 secs Computing kpt #: 174 total cpu time spent up to now is 48.2 secs Computing kpt #: 175 total cpu time spent up to now is 48.5 secs Computing kpt #: 176 total cpu time spent up to now is 48.7 secs Computing kpt #: 177 total cpu time spent up to now is 48.9 secs Computing kpt #: 178 total cpu time spent up to now is 49.1 secs Computing kpt #: 179 total cpu time spent up to now is 49.4 secs Computing kpt #: 180 total cpu time spent up to now is 49.6 secs Computing kpt #: 181 total cpu time spent up to now is 49.8 secs Computing kpt #: 182 total cpu time spent up to now is 50.1 secs Computing kpt #: 183 total cpu time spent up to now is 50.3 secs Computing kpt #: 184 total cpu time spent up to now is 50.5 secs Computing kpt #: 185 total cpu time spent up to now is 50.7 secs Computing kpt #: 186 total cpu time spent up to now is 51.0 secs Computing kpt #: 187 total cpu time spent up to now is 51.2 secs Computing kpt #: 188 total cpu time spent up to now is 51.4 secs Computing kpt #: 189 total cpu time spent up to now is 51.7 secs Computing kpt #: 190 total cpu time spent up to now is 51.9 secs Computing kpt #: 191 total cpu time spent up to now is 52.1 secs Computing kpt #: 192 total cpu time spent up to now is 52.3 secs Computing kpt #: 193 total cpu time spent up to now is 52.6 secs Computing kpt #: 194 total cpu time spent up to now is 52.8 secs Computing kpt #: 195 total cpu time spent up to now is 53.0 secs Computing kpt #: 196 total cpu time spent up to now is 53.3 secs Computing kpt #: 197 total cpu time spent up to now is 53.5 secs Computing kpt #: 198 total cpu time spent up to now is 53.7 secs Computing kpt #: 199 total cpu time spent up to now is 53.9 secs Computing kpt #: 200 total cpu time spent up to now is 54.2 secs Computing kpt #: 201 total cpu time spent up to now is 54.4 secs Computing kpt #: 202 total cpu time spent up to now is 54.6 secs Computing kpt #: 203 total cpu time spent up to now is 54.9 secs Computing kpt #: 204 total cpu time spent up to now is 55.1 secs Computing kpt #: 205 total cpu time spent up to now is 55.3 secs Computing kpt #: 206 total cpu time spent up to now is 55.6 secs Computing kpt #: 207 total cpu time spent up to now is 55.8 secs Computing kpt #: 208 total cpu time spent up to now is 56.0 secs Computing kpt #: 209 total cpu time spent up to now is 56.2 secs Computing kpt #: 210 total cpu time spent up to now is 56.5 secs Computing kpt #: 211 total cpu time spent up to now is 56.7 secs Computing kpt #: 212 total cpu time spent up to now is 56.9 secs Computing kpt #: 213 total cpu time spent up to now is 57.2 secs Computing kpt #: 214 total cpu time spent up to now is 57.4 secs Computing kpt #: 215 total cpu time spent up to now is 57.6 secs Computing kpt #: 216 total cpu time spent up to now is 57.9 secs Computing kpt #: 217 total cpu time spent up to now is 58.1 secs Computing kpt #: 218 total cpu time spent up to now is 58.4 secs Computing kpt #: 219 total cpu time spent up to now is 58.7 secs Computing kpt #: 220 total cpu time spent up to now is 58.9 secs Computing kpt #: 221 total cpu time spent up to now is 59.2 secs Computing kpt #: 222 total cpu time spent up to now is 59.6 secs Computing kpt #: 223 total cpu time spent up to now is 59.9 secs Computing kpt #: 224 total cpu time spent up to now is 60.2 secs Computing kpt #: 225 total cpu time spent up to now is 60.5 secs Computing kpt #: 226 total cpu time spent up to now is 60.8 secs Computing kpt #: 227 total cpu time spent up to now is 61.1 secs Computing kpt #: 228 total cpu time spent up to now is 61.4 secs Computing kpt #: 229 total cpu time spent up to now is 61.7 secs Computing kpt #: 230 total cpu time spent up to now is 62.0 secs Computing kpt #: 231 total cpu time spent up to now is 62.3 secs Computing kpt #: 232 total cpu time spent up to now is 62.6 secs Computing kpt #: 233 total cpu time spent up to now is 62.9 secs Computing kpt #: 234 total cpu time spent up to now is 63.2 secs Computing kpt #: 235 total cpu time spent up to now is 63.6 secs Computing kpt #: 236 total cpu time spent up to now is 63.9 secs Computing kpt #: 237 total cpu time spent up to now is 64.3 secs Computing kpt #: 238 total cpu time spent up to now is 64.6 secs Computing kpt #: 239 total cpu time spent up to now is 64.9 secs Computing kpt #: 240 total cpu time spent up to now is 65.2 secs Computing kpt #: 241 total cpu time spent up to now is 65.5 secs Computing kpt #: 242 total cpu time spent up to now is 65.9 secs Computing kpt #: 243 total cpu time spent up to now is 66.2 secs Computing kpt #: 244 total cpu time spent up to now is 66.5 secs Computing kpt #: 245 total cpu time spent up to now is 66.9 secs Computing kpt #: 246 total cpu time spent up to now is 67.2 secs Computing kpt #: 247 total cpu time spent up to now is 67.5 secs Computing kpt #: 248 total cpu time spent up to now is 67.8 secs Computing kpt #: 249 total cpu time spent up to now is 68.2 secs Computing kpt #: 250 total cpu time spent up to now is 68.5 secs Computing kpt #: 251 total cpu time spent up to now is 68.8 secs Computing kpt #: 252 total cpu time spent up to now is 69.1 secs Computing kpt #: 253 total cpu time spent up to now is 69.4 secs Computing kpt #: 254 total cpu time spent up to now is 69.7 secs Computing kpt #: 255 total cpu time spent up to now is 69.9 secs Computing kpt #: 256 total cpu time spent up to now is 70.2 secs Computing kpt #: 257 total cpu time spent up to now is 70.5 secs Computing kpt #: 258 total cpu time spent up to now is 70.8 secs Computing kpt #: 259 total cpu time spent up to now is 71.1 secs Computing kpt #: 260 total cpu time spent up to now is 71.4 secs Computing kpt #: 261 total cpu time spent up to now is 71.8 secs Computing kpt #: 262 total cpu time spent up to now is 72.2 secs Computing kpt #: 263 total cpu time spent up to now is 72.5 secs Computing kpt #: 264 total cpu time spent up to now is 72.9 secs Computing kpt #: 265 total cpu time spent up to now is 73.3 secs Computing kpt #: 266 total cpu time spent up to now is 73.7 secs Computing kpt #: 267 total cpu time spent up to now is 74.0 secs Computing kpt #: 268 total cpu time spent up to now is 74.3 secs Computing kpt #: 269 total cpu time spent up to now is 74.6 secs Computing kpt #: 270 total cpu time spent up to now is 74.9 secs Computing kpt #: 271 total cpu time spent up to now is 75.2 secs Computing kpt #: 272 total cpu time spent up to now is 75.5 secs Computing kpt #: 273 total cpu time spent up to now is 75.8 secs Computing kpt #: 274 total cpu time spent up to now is 76.1 secs Computing kpt #: 275 total cpu time spent up to now is 76.4 secs Computing kpt #: 276 total cpu time spent up to now is 76.7 secs Computing kpt #: 277 total cpu time spent up to now is 76.9 secs Computing kpt #: 278 total cpu time spent up to now is 77.2 secs Computing kpt #: 279 total cpu time spent up to now is 77.5 secs Computing kpt #: 280 total cpu time spent up to now is 77.8 secs Computing kpt #: 281 total cpu time spent up to now is 78.2 secs Computing kpt #: 282 total cpu time spent up to now is 78.5 secs Computing kpt #: 283 total cpu time spent up to now is 78.8 secs Computing kpt #: 284 total cpu time spent up to now is 79.3 secs Computing kpt #: 285 total cpu time spent up to now is 79.7 secs Computing kpt #: 286 total cpu time spent up to now is 80.1 secs Computing kpt #: 287 total cpu time spent up to now is 80.5 secs Computing kpt #: 288 total cpu time spent up to now is 80.9 secs Computing kpt #: 289 total cpu time spent up to now is 81.2 secs Computing kpt #: 290 total cpu time spent up to now is 81.6 secs Computing kpt #: 291 total cpu time spent up to now is 81.9 secs Computing kpt #: 292 total cpu time spent up to now is 82.3 secs Computing kpt #: 293 total cpu time spent up to now is 82.7 secs Computing kpt #: 294 total cpu time spent up to now is 83.2 secs Computing kpt #: 295 total cpu time spent up to now is 83.6 secs Computing kpt #: 296 total cpu time spent up to now is 84.0 secs Computing kpt #: 297 total cpu time spent up to now is 84.4 secs Computing kpt #: 298 total cpu time spent up to now is 84.8 secs Computing kpt #: 299 total cpu time spent up to now is 85.1 secs Computing kpt #: 300 total cpu time spent up to now is 85.4 secs Computing kpt #: 301 total cpu time spent up to now is 85.7 secs Computing kpt #: 302 total cpu time spent up to now is 86.0 secs Computing kpt #: 303 total cpu time spent up to now is 86.2 secs Computing kpt #: 304 total cpu time spent up to now is 86.4 secs Computing kpt #: 305 total cpu time spent up to now is 86.7 secs Computing kpt #: 306 total cpu time spent up to now is 86.9 secs Computing kpt #: 307 total cpu time spent up to now is 87.2 secs Computing kpt #: 308 total cpu time spent up to now is 87.4 secs Computing kpt #: 309 total cpu time spent up to now is 87.6 secs Computing kpt #: 310 total cpu time spent up to now is 87.9 secs Computing kpt #: 311 total cpu time spent up to now is 88.1 secs Computing kpt #: 312 total cpu time spent up to now is 88.3 secs Computing kpt #: 313 total cpu time spent up to now is 88.6 secs Computing kpt #: 314 total cpu time spent up to now is 88.8 secs Computing kpt #: 315 total cpu time spent up to now is 89.0 secs Computing kpt #: 316 total cpu time spent up to now is 89.3 secs Computing kpt #: 317 total cpu time spent up to now is 89.5 secs Computing kpt #: 318 total cpu time spent up to now is 89.7 secs Computing kpt #: 319 total cpu time spent up to now is 90.0 secs Computing kpt #: 320 total cpu time spent up to now is 90.2 secs Computing kpt #: 321 total cpu time spent up to now is 90.5 secs Computing kpt #: 322 total cpu time spent up to now is 90.7 secs Computing kpt #: 323 total cpu time spent up to now is 91.0 secs Computing kpt #: 324 total cpu time spent up to now is 91.2 secs Computing kpt #: 325 total cpu time spent up to now is 91.5 secs Computing kpt #: 326 total cpu time spent up to now is 91.7 secs Computing kpt #: 327 total cpu time spent up to now is 92.0 secs Computing kpt #: 328 total cpu time spent up to now is 92.2 secs Computing kpt #: 329 total cpu time spent up to now is 92.5 secs Computing kpt #: 330 total cpu time spent up to now is 92.8 secs Computing kpt #: 331 total cpu time spent up to now is 93.1 secs Computing kpt #: 332 total cpu time spent up to now is 93.4 secs Computing kpt #: 333 total cpu time spent up to now is 93.6 secs Computing kpt #: 334 total cpu time spent up to now is 93.9 secs Computing kpt #: 335 total cpu time spent up to now is 94.1 secs Computing kpt #: 336 total cpu time spent up to now is 94.3 secs Computing kpt #: 337 total cpu time spent up to now is 94.6 secs Computing kpt #: 338 total cpu time spent up to now is 94.8 secs Computing kpt #: 339 total cpu time spent up to now is 95.0 secs Computing kpt #: 340 total cpu time spent up to now is 95.3 secs Computing kpt #: 341 total cpu time spent up to now is 95.5 secs Computing kpt #: 342 total cpu time spent up to now is 95.7 secs Computing kpt #: 343 total cpu time spent up to now is 96.0 secs Computing kpt #: 344 total cpu time spent up to now is 96.2 secs Computing kpt #: 345 total cpu time spent up to now is 96.4 secs Computing kpt #: 346 total cpu time spent up to now is 96.7 secs Computing kpt #: 347 total cpu time spent up to now is 96.9 secs Computing kpt #: 348 total cpu time spent up to now is 97.2 secs Computing kpt #: 349 total cpu time spent up to now is 97.4 secs Computing kpt #: 350 total cpu time spent up to now is 97.7 secs Computing kpt #: 351 total cpu time spent up to now is 97.9 secs Computing kpt #: 352 total cpu time spent up to now is 98.2 secs Computing kpt #: 353 total cpu time spent up to now is 98.4 secs Computing kpt #: 354 total cpu time spent up to now is 98.7 secs Computing kpt #: 355 total cpu time spent up to now is 99.0 secs Computing kpt #: 356 total cpu time spent up to now is 99.3 secs Computing kpt #: 357 total cpu time spent up to now is 99.6 secs Computing kpt #: 358 total cpu time spent up to now is 99.9 secs Computing kpt #: 359 total cpu time spent up to now is 100.2 secs Computing kpt #: 360 total cpu time spent up to now is 100.5 secs Computing kpt #: 361 total cpu time spent up to now is 100.8 secs Computing kpt #: 362 total cpu time spent up to now is 101.1 secs Computing kpt #: 363 total cpu time spent up to now is 101.4 secs Computing kpt #: 364 total cpu time spent up to now is 101.7 secs Computing kpt #: 365 total cpu time spent up to now is 102.0 secs Computing kpt #: 366 total cpu time spent up to now is 102.2 secs Computing kpt #: 367 total cpu time spent up to now is 102.5 secs Computing kpt #: 368 total cpu time spent up to now is 102.8 secs Computing kpt #: 369 total cpu time spent up to now is 103.1 secs Computing kpt #: 370 total cpu time spent up to now is 103.4 secs Computing kpt #: 371 total cpu time spent up to now is 103.6 secs Computing kpt #: 372 total cpu time spent up to now is 103.9 secs Computing kpt #: 373 total cpu time spent up to now is 104.1 secs Computing kpt #: 374 total cpu time spent up to now is 104.4 secs Computing kpt #: 375 total cpu time spent up to now is 104.6 secs Computing kpt #: 376 total cpu time spent up to now is 104.8 secs Computing kpt #: 377 total cpu time spent up to now is 105.1 secs Computing kpt #: 378 total cpu time spent up to now is 105.3 secs Computing kpt #: 379 total cpu time spent up to now is 105.6 secs Computing kpt #: 380 total cpu time spent up to now is 105.8 secs Computing kpt #: 381 total cpu time spent up to now is 106.0 secs Computing kpt #: 382 total cpu time spent up to now is 106.3 secs ethr = 3.57E-08, avg # of iterations = 21.3 total cpu time spent up to now is 106.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5347 PWs) bands (ev): -14.1612 -14.1612 -13.8178 -13.8178 -11.3586 -11.3586 -10.6250 -10.6250 -3.2045 -3.2045 -2.1075 -2.1075 -0.4331 -0.4331 -0.3224 -0.3224 0.2050 0.2050 0.2762 0.2762 0.8098 0.8098 1.3679 1.3679 1.7994 1.7994 1.8694 1.8694 3.6634 3.6634 4.4868 4.4868 7.8590 7.8590 8.4896 8.4896 k = 0.0072 0.0105-0.0000 ( 5341 PWs) bands (ev): -14.1609 -14.1609 -13.8177 -13.8177 -11.3583 -11.3583 -10.6254 -10.6254 -3.2045 -3.2045 -2.1084 -2.1084 -0.4357 -0.4357 -0.3247 -0.3247 0.2042 0.2042 0.2746 0.2746 0.8130 0.8130 1.3695 1.3695 1.7987 1.7987 1.8695 1.8695 3.6628 3.6628 4.4861 4.4861 7.8623 7.8623 8.4915 8.4915 k = 0.0144 0.0210-0.0000 ( 5357 PWs) bands (ev): -14.1598 -14.1598 -13.8174 -13.8174 -11.3575 -11.3575 -10.6266 -10.6266 -3.2047 -3.2047 -2.1110 -2.1110 -0.4432 -0.4432 -0.3317 -0.3317 0.2017 0.2017 0.2699 0.2699 0.8223 0.8223 1.3741 1.3741 1.7967 1.7967 1.8699 1.8699 3.6610 3.6610 4.4841 4.4841 7.8724 7.8724 8.4971 8.4971 k = 0.0216 0.0316-0.0000 ( 5349 PWs) bands (ev): -14.1579 -14.1579 -13.8169 -13.8169 -11.3561 -11.3561 -10.6287 -10.6287 -3.2050 -3.2050 -2.1154 -2.1154 -0.4555 -0.4555 -0.3430 -0.3430 0.1976 0.1976 0.2623 0.2623 0.8372 0.8372 1.3814 1.3814 1.7934 1.7934 1.8706 1.8706 3.6584 3.6584 4.4808 4.4808 7.8890 7.8890 8.5067 8.5067 k = 0.0288 0.0421-0.0000 ( 5341 PWs) bands (ev): -14.1553 -14.1553 -13.8163 -13.8163 -11.3542 -11.3542 -10.6315 -10.6315 -3.2054 -3.2054 -2.1215 -2.1215 -0.4722 -0.4722 -0.3580 -0.3580 0.1920 0.1920 0.2519 0.2519 0.8569 0.8569 1.3909 1.3909 1.7888 1.7888 1.8716 1.8716 3.6551 3.6551 4.4765 4.4765 7.9121 7.9121 8.5205 8.5205 k = 0.0360 0.0526-0.0000 ( 5339 PWs) bands (ev): -14.1521 -14.1521 -13.8154 -13.8154 -11.3517 -11.3517 -10.6352 -10.6352 -3.2060 -3.2060 -2.1294 -2.1294 -0.4928 -0.4928 -0.3761 -0.3761 0.1851 0.1851 0.2388 0.2388 0.8802 0.8802 1.4021 1.4021 1.7829 1.7829 1.8727 1.8727 3.6515 3.6515 4.4712 4.4712 7.9413 7.9413 8.5388 8.5388 k = 0.0432 0.0631-0.0000 ( 5347 PWs) bands (ev): -14.1481 -14.1481 -13.8144 -13.8144 -11.3487 -11.3487 -10.6396 -10.6396 -3.2066 -3.2066 -2.1392 -2.1392 -0.5167 -0.5167 -0.3968 -0.3968 0.1769 0.1769 0.2233 0.2233 0.9063 0.9063 1.4141 1.4141 1.7759 1.7759 1.8741 1.8741 3.6483 3.6483 4.4651 4.4651 7.9764 7.9764 8.5618 8.5618 k = 0.0504 0.0736-0.0000 ( 5343 PWs) bands (ev): -14.1434 -14.1434 -13.8132 -13.8132 -11.3452 -11.3452 -10.6447 -10.6447 -3.2074 -3.2074 -2.1507 -2.1507 -0.5432 -0.5432 -0.4193 -0.4193 0.1674 0.1674 0.2056 0.2056 0.9341 0.9341 1.4262 1.4262 1.7677 1.7677 1.8754 1.8754 3.6459 3.6459 4.4586 4.4586 8.0171 8.0171 8.5898 8.5898 k = 0.0576 0.0842-0.0000 ( 5339 PWs) bands (ev): -14.1380 -14.1380 -13.8119 -13.8119 -11.3411 -11.3411 -10.6507 -10.6507 -3.2082 -3.2082 -2.1641 -2.1641 -0.5716 -0.5716 -0.4432 -0.4432 0.1568 0.1568 0.1858 0.1858 0.9627 0.9627 1.4377 1.4377 1.7585 1.7585 1.8768 1.8768 3.6449 3.6449 4.4519 4.4519 8.0630 8.0630 8.6231 8.6231 k = 0.0648 0.0947-0.0000 ( 5339 PWs) bands (ev): -14.1319 -14.1319 -13.8105 -13.8105 -11.3364 -11.3364 -10.6573 -10.6573 -3.2092 -3.2092 -2.1793 -2.1793 -0.6012 -0.6012 -0.4680 -0.4680 0.1446 0.1446 0.1643 0.1643 0.9913 0.9913 1.4477 1.4477 1.7483 1.7483 1.8778 1.8778 3.6459 3.6459 4.4452 4.4452 8.1137 8.1137 8.6617 8.6617 k = 0.0720 0.1052-0.0000 ( 5331 PWs) bands (ev): -14.1252 -14.1252 -13.8089 -13.8089 -11.3313 -11.3313 -10.6646 -10.6646 -3.2102 -3.2102 -2.1963 -2.1963 -0.6313 -0.6313 -0.4932 -0.4932 0.1293 0.1293 0.1428 0.1428 1.0191 1.0191 1.4558 1.4558 1.7372 1.7372 1.8784 1.8784 3.6496 3.6496 4.4388 4.4388 8.1689 8.1689 8.7060 8.7060 k = 0.0792 0.1157-0.0000 ( 5329 PWs) bands (ev): -14.1179 -14.1179 -13.8072 -13.8072 -11.3256 -11.3256 -10.6726 -10.6726 -3.2112 -3.2112 -2.2151 -2.2151 -0.6614 -0.6614 -0.5184 -0.5184 0.1075 0.1075 0.1248 0.1248 1.0456 1.0456 1.4613 1.4613 1.7254 1.7254 1.8784 1.8784 3.6563 3.6563 4.4329 4.4329 8.2282 8.2282 8.7558 8.7558 k = 0.0864 0.1262-0.0000 ( 5335 PWs) bands (ev): -14.1100 -14.1100 -13.8054 -13.8054 -11.3194 -11.3194 -10.6812 -10.6812 -3.2123 -3.2123 -2.2356 -2.2356 -0.6910 -0.6910 -0.5433 -0.5433 0.0806 0.0806 0.1091 0.1091 1.0701 1.0701 1.4638 1.4638 1.7128 1.7128 1.8776 1.8776 3.6666 3.6666 4.4278 4.4278 8.2912 8.2912 8.8113 8.8113 k = 0.0936 0.1367-0.0000 ( 5343 PWs) bands (ev): -14.1015 -14.1015 -13.8036 -13.8036 -11.3127 -11.3127 -10.6903 -10.6903 -3.2133 -3.2133 -2.2579 -2.2579 -0.7194 -0.7194 -0.5677 -0.5677 0.0509 0.0509 0.0933 0.0933 1.0925 1.0925 1.4630 1.4630 1.6995 1.6995 1.8759 1.8759 3.6807 3.6807 4.4236 4.4236 8.3576 8.3576 8.8724 8.8724 k = 0.1007 0.1473-0.0000 ( 5335 PWs) bands (ev): -14.0924 -14.0924 -13.8017 -13.8017 -11.3055 -11.3055 -10.7001 -10.7001 -3.2143 -3.2143 -2.2818 -2.2818 -0.7466 -0.7466 -0.5913 -0.5913 0.0191 0.0191 0.0769 0.0769 1.1122 1.1122 1.4588 1.4588 1.6855 1.6855 1.8733 1.8733 3.6987 3.6987 4.4205 4.4205 8.4270 8.4270 8.9391 8.9391 k = 0.1079 0.1578-0.0000 ( 5341 PWs) bands (ev): -14.0829 -14.0829 -13.7999 -13.7999 -11.2978 -11.2978 -10.7103 -10.7103 -3.2152 -3.2152 -2.3073 -2.3073 -0.7721 -0.7721 -0.6138 -0.6138 -0.0144 -0.0144 0.0595 0.0595 1.1291 1.1291 1.4511 1.4511 1.6707 1.6707 1.8699 1.8699 3.7207 3.7207 4.4186 4.4186 8.4991 8.4991 9.0113 9.0113 k = 0.1151 0.1683-0.0000 ( 5341 PWs) bands (ev): -14.0728 -14.0728 -13.7980 -13.7980 -11.2896 -11.2896 -10.7210 -10.7210 -3.2160 -3.2160 -2.3341 -2.3341 -0.7957 -0.7957 -0.6352 -0.6352 -0.0496 -0.0496 0.0413 0.0413 1.1431 1.1431 1.4400 1.4400 1.6551 1.6551 1.8657 1.8657 3.7464 3.7464 4.4179 4.4179 8.5737 8.5737 9.0889 9.0889 k = 0.1223 0.1788-0.0000 ( 5333 PWs) bands (ev): -14.0623 -14.0623 -13.7961 -13.7961 -11.2810 -11.2810 -10.7322 -10.7322 -3.2165 -3.2165 -2.3622 -2.3622 -0.8174 -0.8174 -0.6554 -0.6554 -0.0862 -0.0862 0.0221 0.0221 1.1542 1.1542 1.4256 1.4256 1.6384 1.6384 1.8610 1.8610 3.7756 3.7756 4.4185 4.4185 8.6505 8.6505 9.1718 9.1718 k = 0.1295 0.1893-0.0000 ( 5333 PWs) bands (ev): -14.0513 -14.0513 -13.7943 -13.7943 -11.2718 -11.2718 -10.7437 -10.7437 -3.2167 -3.2167 -2.3914 -2.3914 -0.8370 -0.8370 -0.6743 -0.6743 -0.1242 -0.1242 0.0020 0.0020 1.1622 1.1622 1.4082 1.4082 1.6206 1.6206 1.8560 1.8560 3.8078 3.8078 4.4202 4.4202 8.7292 8.7292 9.2597 9.2597 k = 0.1367 0.1999-0.0000 ( 5339 PWs) bands (ev): -14.0400 -14.0400 -13.7926 -13.7926 -11.2622 -11.2622 -10.7555 -10.7555 -3.2166 -3.2166 -2.4215 -2.4215 -0.8546 -0.8546 -0.6920 -0.6920 -0.1634 -0.1634 -0.0190 -0.0190 1.1674 1.1674 1.3880 1.3880 1.6018 1.6018 1.8510 1.8510 3.8425 3.8425 4.4229 4.4229 8.8097 8.8097 9.3525 9.3525 k = 0.1439 0.2104-0.0000 ( 5343 PWs) bands (ev): -14.0283 -14.0283 -13.7910 -13.7910 -11.2521 -11.2521 -10.7677 -10.7677 -3.2161 -3.2161 -2.4523 -2.4523 -0.8702 -0.8702 -0.7083 -0.7083 -0.2037 -0.2037 -0.0409 -0.0409 1.1697 1.1697 1.3654 1.3654 1.5819 1.5819 1.8461 1.8461 3.8792 3.8792 4.4265 4.4265 8.8917 8.8917 9.4500 9.4500 k = 0.1511 0.2209-0.0000 ( 5343 PWs) bands (ev): -14.0163 -14.0163 -13.7895 -13.7895 -11.2416 -11.2416 -10.7801 -10.7801 -3.2150 -3.2150 -2.4836 -2.4836 -0.8839 -0.8839 -0.7234 -0.7234 -0.2448 -0.2448 -0.0636 -0.0636 1.1695 1.1695 1.3407 1.3407 1.5611 1.5611 1.8414 1.8414 3.9173 3.9173 4.4307 4.4307 8.9750 8.9750 9.5519 9.5519 k = 0.1583 0.2314-0.0000 ( 5336 PWs) bands (ev): -14.0040 -14.0040 -13.7881 -13.7881 -11.2307 -11.2307 -10.7928 -10.7928 -3.2133 -3.2133 -2.5153 -2.5153 -0.8959 -0.8959 -0.7373 -0.7373 -0.2866 -0.2866 -0.0872 -0.0872 1.1668 1.1668 1.3142 1.3142 1.5396 1.5396 1.8370 1.8370 3.9562 3.9562 4.4354 4.4354 9.0595 9.0595 9.6579 9.6579 k = 0.1655 0.2419-0.0000 ( 5348 PWs) bands (ev): -13.9915 -13.9915 -13.7869 -13.7869 -11.2193 -11.2193 -10.8055 -10.8055 -3.2109 -3.2109 -2.5471 -2.5471 -0.9062 -0.9062 -0.7503 -0.7503 -0.3289 -0.3289 -0.1116 -0.1116 1.1618 1.1618 1.2864 1.2864 1.5176 1.5176 1.8330 1.8330 3.9954 3.9954 4.4401 4.4401 9.1450 9.1450 9.7677 9.7677 k = 0.1727 0.2525-0.0000 ( 5326 PWs) bands (ev): -13.9788 -13.9788 -13.7859 -13.7859 -11.2074 -11.2074 -10.8185 -10.8185 -3.2078 -3.2078 -2.5788 -2.5788 -0.9153 -0.9153 -0.7623 -0.7623 -0.3714 -0.3714 -0.1366 -0.1366 1.1547 1.1547 1.2577 1.2577 1.4954 1.4954 1.8293 1.8293 4.0342 4.0342 4.4448 4.4448 9.2313 9.2313 9.8810 9.8810 k = 0.1799 0.2630-0.0000 ( 5322 PWs) bands (ev): -13.9660 -13.9660 -13.7851 -13.7851 -11.1952 -11.1952 -10.8314 -10.8314 -3.2037 -3.2037 -2.6103 -2.6103 -0.9233 -0.9233 -0.7735 -0.7735 -0.4140 -0.4140 -0.1624 -0.1624 1.1457 1.1457 1.2285 1.2285 1.4732 1.4732 1.8260 1.8260 4.0721 4.0721 4.4490 4.4490 9.3183 9.3183 9.9970 9.9970 k = 0.1871 0.2735-0.0000 ( 5320 PWs) bands (ev): -13.9530 -13.9530 -13.7845 -13.7845 -11.1825 -11.1825 -10.8445 -10.8445 -3.1987 -3.1987 -2.6413 -2.6413 -0.9306 -0.9306 -0.7841 -0.7841 -0.4562 -0.4562 -0.1887 -0.1887 1.1347 1.1347 1.1994 1.1994 1.4514 1.4514 1.8230 1.8230 4.1087 4.1087 4.4524 4.4524 9.4058 9.4058 10.0707 10.0707 k = 0.1943 0.2840-0.0000 ( 5320 PWs) bands (ev): -13.9399 -13.9399 -13.7841 -13.7841 -11.1695 -11.1695 -10.8575 -10.8575 -3.1926 -3.1926 -2.6717 -2.6717 -0.9377 -0.9377 -0.7943 -0.7943 -0.4978 -0.4978 -0.2157 -0.2157 1.1217 1.1217 1.1710 1.1710 1.4302 1.4302 1.8204 1.8204 4.1435 4.1435 4.4547 4.4547 9.4936 9.4936 10.0563 10.0563 k = 0.2015 0.2945-0.0000 ( 5316 PWs) bands (ev): -13.9268 -13.9268 -13.7841 -13.7841 -11.1561 -11.1561 -10.8704 -10.8704 -3.1854 -3.1854 -2.7013 -2.7013 -0.9451 -0.9451 -0.8041 -0.8041 -0.5382 -0.5382 -0.2431 -0.2431 1.1060 1.1060 1.1444 1.1444 1.4099 1.4099 1.8180 1.8180 4.1761 4.1761 4.4557 4.4557 9.5815 9.5815 10.0439 10.0439 k = 0.2087 0.3050-0.0000 ( 5326 PWs) bands (ev): -13.9138 -13.9138 -13.7843 -13.7843 -11.1423 -11.1423 -10.8833 -10.8833 -3.1769 -3.1769 -2.7300 -2.7300 -0.9534 -0.9534 -0.8137 -0.8137 -0.5769 -0.5769 -0.2709 -0.2709 1.0869 1.0869 1.1210 1.1210 1.3908 1.3908 1.8160 1.8160 4.2061 4.2061 4.4551 4.4551 9.6691 9.6691 10.0347 10.0347 k = 0.2159 0.3156-0.0000 ( 5318 PWs) bands (ev): -13.9007 -13.9007 -13.7847 -13.7847 -11.1281 -11.1281 -10.8961 -10.8961 -3.1672 -3.1672 -2.7577 -2.7577 -0.9634 -0.9634 -0.8233 -0.8233 -0.6133 -0.6133 -0.2991 -0.2991 1.0642 1.0642 1.1011 1.1011 1.3732 1.3732 1.8142 1.8142 4.2333 4.2333 4.4526 4.4526 9.7561 9.7561 10.0287 10.0287 k = 0.2231 0.3261-0.0000 ( 5320 PWs) bands (ev): -13.8878 -13.8878 -13.7855 -13.7855 -11.1136 -11.1136 -10.9087 -10.9087 -3.1561 -3.1561 -2.7842 -2.7842 -0.9758 -0.9758 -0.8329 -0.8329 -0.6466 -0.6466 -0.3276 -0.3276 1.0395 1.0395 1.0836 1.0836 1.3574 1.3574 1.8126 1.8126 4.2574 4.2574 4.4479 4.4479 9.8422 9.8422 10.0259 10.0259 k = 0.2303 0.3366-0.0000 ( 5320 PWs) bands (ev): -13.8750 -13.8750 -13.7866 -13.7866 -11.0987 -11.0987 -10.9212 -10.9212 -3.1437 -3.1437 -2.8094 -2.8094 -0.9916 -0.9916 -0.8428 -0.8428 -0.6760 -0.6760 -0.3562 -0.3562 1.0141 1.0141 1.0673 1.0673 1.3435 1.3435 1.8113 1.8113 4.2783 4.2783 4.4410 4.4410 9.9265 9.9265 10.0261 10.0261 k = 0.2375 0.3471-0.0000 ( 5324 PWs) bands (ev): -13.8623 -13.8623 -13.7880 -13.7880 -11.0835 -11.0835 -10.9334 -10.9334 -3.1298 -3.1298 -2.8333 -2.8333 -1.0113 -1.0113 -0.8530 -0.8530 -0.7009 -0.7009 -0.3850 -0.3850 0.9888 0.9888 1.0519 1.0519 1.3319 1.3319 1.8102 1.8102 4.2959 4.2959 4.4316 4.4316 10.0071 10.0071 10.0307 10.0307 k = 0.2447 0.3576-0.0000 ( 5334 PWs) bands (ev): -13.8498 -13.8498 -13.7896 -13.7896 -11.0680 -11.0680 -10.9454 -10.9454 -3.1144 -3.1144 -2.8557 -2.8557 -1.0350 -1.0350 -0.8639 -0.8639 -0.7210 -0.7210 -0.4138 -0.4138 0.9638 0.9638 1.0372 1.0372 1.3227 1.3227 1.8092 1.8092 4.3100 4.3100 4.4197 4.4197 10.0330 10.0330 10.0897 10.0897 k = 0.2519 0.3682-0.0000 ( 5334 PWs) bands (ev): -13.8376 -13.8376 -13.7916 -13.7916 -11.0523 -11.0523 -10.9572 -10.9572 -3.0976 -3.0976 -2.8766 -2.8766 -1.0627 -1.0627 -0.8756 -0.8756 -0.7363 -0.7363 -0.4426 -0.4426 0.9390 0.9390 1.0234 1.0234 1.3160 1.3160 1.8084 1.8084 4.3206 4.3206 4.4050 4.4050 10.0413 10.0413 10.1642 10.1642 k = 0.2591 0.3787-0.0000 ( 5326 PWs) bands (ev): -13.8256 -13.8256 -13.7939 -13.7939 -11.0363 -11.0363 -10.9686 -10.9686 -3.0793 -3.0793 -2.8961 -2.8961 -1.0939 -1.0939 -0.8881 -0.8881 -0.7474 -0.7474 -0.4712 -0.4712 0.9145 0.9145 1.0108 1.0108 1.3120 1.3120 1.8077 1.8077 4.3278 4.3278 4.3878 4.3878 10.0515 10.0515 10.2334 10.2334 k = 0.2663 0.3892-0.0000 ( 5318 PWs) bands (ev): -13.8139 -13.8139 -13.7965 -13.7965 -11.0200 -11.0200 -10.9798 -10.9798 -3.0595 -3.0595 -2.9139 -2.9139 -1.1277 -1.1277 -0.9014 -0.9014 -0.7550 -0.7550 -0.4996 -0.4996 0.8899 0.8899 0.9996 0.9996 1.3104 1.3104 1.8071 1.8071 4.3316 4.3316 4.3680 4.3680 10.0636 10.0636 10.2947 10.2947 k = 0.2735 0.3997-0.0000 ( 5316 PWs) bands (ev): -13.8025 -13.8025 -13.7993 -13.7993 -11.0035 -11.0035 -10.9907 -10.9907 -3.0382 -3.0382 -2.9302 -2.9302 -1.1635 -1.1635 -0.9155 -0.9155 -0.7598 -0.7598 -0.5275 -0.5275 0.8652 0.8652 0.9898 0.9898 1.3114 1.3114 1.8067 1.8067 4.3312 4.3312 4.3465 4.3465 10.0772 10.0772 10.3456 10.3456 k = 0.2807 0.4102-0.0000 ( 5316 PWs) bands (ev): -13.8025 -13.8025 -13.7915 -13.7915 -11.0012 -11.0012 -10.9869 -10.9869 -3.0157 -3.0157 -2.9449 -2.9449 -1.2007 -1.2007 -0.9301 -0.9301 -0.7627 -0.7627 -0.5549 -0.5549 0.8404 0.8404 0.9816 0.9816 1.3148 1.3148 1.8063 1.8063 4.3173 4.3173 4.3330 4.3330 10.0920 10.0920 10.3828 10.3828 k = 0.2879 0.4208-0.0000 ( 5330 PWs) bands (ev): -13.8059 -13.8059 -13.7808 -13.7808 -11.0114 -11.0114 -10.9701 -10.9701 -2.9919 -2.9919 -2.9579 -2.9579 -1.2387 -1.2387 -0.9452 -0.9452 -0.7642 -0.7642 -0.5816 -0.5816 0.8154 0.8154 0.9749 0.9749 1.3205 1.3205 1.8060 1.8060 4.2907 4.2907 4.3270 4.3270 10.1077 10.1077 10.4030 10.4030 k = 0.2950 0.4313-0.0000 ( 5332 PWs) bands (ev): -13.8095 -13.8095 -13.7705 -13.7705 -11.0213 -11.0213 -10.9532 -10.9532 -2.9721 -2.9721 -2.9640 -2.9640 -1.2770 -1.2770 -0.9605 -0.9605 -0.7649 -0.7649 -0.6073 -0.6073 0.7903 0.7903 0.9697 0.9697 1.3281 1.3281 1.8058 1.8058 4.2610 4.2610 4.3193 4.3193 10.1238 10.1238 10.4035 10.4035 k = 0.3022 0.4418-0.0000 ( 5336 PWs) bands (ev): -13.8133 -13.8133 -13.7606 -13.7606 -11.0308 -11.0308 -10.9362 -10.9362 -2.9804 -2.9804 -2.9394 -2.9394 -1.3154 -1.3154 -0.9759 -0.9759 -0.7654 -0.7654 -0.6315 -0.6315 0.7651 0.7651 0.9656 0.9656 1.3375 1.3375 1.8057 1.8057 4.2291 4.2291 4.3097 4.3097 10.1398 10.1398 10.3832 10.3832 k = 0.3094 0.4523-0.0000 ( 5332 PWs) bands (ev): -13.8174 -13.8174 -13.7510 -13.7510 -11.0399 -11.0399 -10.9192 -10.9192 -2.9889 -2.9889 -2.9120 -2.9120 -1.3535 -1.3535 -0.9913 -0.9913 -0.7662 -0.7662 -0.6539 -0.6539 0.7399 0.7399 0.9625 0.9625 1.3484 1.3484 1.8056 1.8056 4.1955 4.1955 4.2982 4.2982 10.1552 10.1552 10.3436 10.3436 k = 0.3166 0.4628-0.0000 ( 5318 PWs) bands (ev): -13.8216 -13.8216 -13.7419 -13.7419 -11.0487 -11.0487 -10.9021 -10.9021 -2.9962 -2.9962 -2.8835 -2.8835 -1.3912 -1.3912 -1.0065 -1.0065 -0.7683 -0.7683 -0.6733 -0.6733 0.7148 0.7148 0.9601 0.9601 1.3604 1.3604 1.8055 1.8055 4.1604 4.1604 4.2853 4.2853 10.1693 10.1693 10.2881 10.2881 k = 0.3238 0.4733-0.0000 ( 5318 PWs) bands (ev): -13.8260 -13.8260 -13.7332 -13.7332 -11.0571 -11.0571 -10.8851 -10.8851 -3.0021 -3.0021 -2.8542 -2.8542 -1.4282 -1.4282 -1.0214 -1.0214 -0.7728 -0.7728 -0.6886 -0.6886 0.6899 0.6899 0.9580 0.9580 1.3732 1.3732 1.8054 1.8054 4.1243 4.1243 4.2712 4.2712 10.1793 10.1793 10.2230 10.2230 k = 0.3310 0.4839-0.0000 ( 5324 PWs) bands (ev): -13.8305 -13.8305 -13.7250 -13.7250 -11.0651 -11.0651 -10.8683 -10.8683 -3.0068 -3.0068 -2.8242 -2.8242 -1.4644 -1.4644 -1.0359 -1.0359 -0.7809 -0.7809 -0.6985 -0.6985 0.6653 0.6653 0.9559 0.9559 1.3864 1.3864 1.8054 1.8054 4.0874 4.0874 4.2564 4.2564 10.1379 10.1379 10.1988 10.1988 k = 0.3382 0.4944-0.0000 ( 5322 PWs) bands (ev): -13.8351 -13.8351 -13.7172 -13.7172 -11.0728 -11.0728 -10.8515 -10.8515 -3.0102 -3.0102 -2.7937 -2.7937 -1.4997 -1.4997 -1.0498 -1.0498 -0.7924 -0.7924 -0.7029 -0.7029 0.6411 0.6411 0.9535 0.9535 1.3998 1.3998 1.8053 1.8053 4.0503 4.0503 4.2411 4.2411 10.0579 10.0579 10.2059 10.2059 k = 0.3454 0.5049-0.0000 ( 5314 PWs) bands (ev): -13.8398 -13.8398 -13.7098 -13.7098 -11.0801 -11.0801 -10.8349 -10.8349 -3.0126 -3.0126 -2.7630 -2.7630 -1.5340 -1.5340 -1.0632 -1.0632 -0.8060 -0.8060 -0.7030 -0.7030 0.6173 0.6173 0.9504 0.9504 1.4128 1.4128 1.8053 1.8053 4.0132 4.0132 4.2259 4.2259 9.9737 9.9737 10.2118 10.2118 k = 0.3526 0.5154-0.0000 ( 5310 PWs) bands (ev): -13.8445 -13.8445 -13.7028 -13.7028 -11.0871 -11.0871 -10.8186 -10.8186 -3.0140 -3.0140 -2.7321 -2.7321 -1.5672 -1.5672 -1.0759 -1.0759 -0.8201 -0.8201 -0.7001 -0.7001 0.5940 0.5940 0.9462 0.9462 1.4251 1.4251 1.8052 1.8052 3.9768 3.9768 4.2110 4.2110 9.8884 9.8884 10.2151 10.2151 k = 0.3598 0.5259-0.0000 ( 5316 PWs) bands (ev): -13.8492 -13.8492 -13.6963 -13.6963 -11.0937 -11.0937 -10.8026 -10.8026 -3.0145 -3.0145 -2.7013 -2.7013 -1.5992 -1.5992 -1.0880 -1.0880 -0.8336 -0.8336 -0.6950 -0.6950 0.5714 0.5714 0.9408 0.9408 1.4364 1.4364 1.8051 1.8051 3.9414 3.9414 4.1968 4.1968 9.8037 9.8037 10.2157 10.2157 k = 0.3670 0.5365-0.0000 ( 5320 PWs) bands (ev): -13.8540 -13.8540 -13.6902 -13.6902 -11.0999 -11.0999 -10.7869 -10.7869 -3.0142 -3.0142 -2.6708 -2.6708 -1.6299 -1.6299 -1.0995 -1.0995 -0.8458 -0.8458 -0.6883 -0.6883 0.5494 0.5494 0.9339 0.9339 1.4463 1.4463 1.8049 1.8049 3.9075 3.9075 4.1835 4.1835 9.7209 9.7209 10.2135 10.2135 k = 0.3670 0.5365-0.0000 ( 5320 PWs) bands (ev): -13.8540 -13.8540 -13.6902 -13.6902 -11.0999 -11.0999 -10.7869 -10.7869 -3.0142 -3.0142 -2.6708 -2.6708 -1.6299 -1.6299 -1.0995 -1.0995 -0.8458 -0.8458 -0.6883 -0.6883 0.5494 0.5494 0.9339 0.9339 1.4463 1.4463 1.8049 1.8049 3.9075 3.9075 4.1835 4.1835 9.7209 9.7209 10.2135 10.2135 k = 0.3544 0.5365-0.0000 ( 5314 PWs) bands (ev): -13.8515 -13.8515 -13.6936 -13.6936 -11.0966 -11.0966 -10.7956 -10.7956 -3.0148 -3.0148 -2.6877 -2.6877 -1.6119 -1.6119 -1.0945 -1.0945 -0.8371 -0.8371 -0.6919 -0.6919 0.5625 0.5625 0.9382 0.9382 1.4411 1.4411 1.8049 1.8049 3.9264 3.9264 4.1910 4.1910 9.7680 9.7680 10.2138 10.2138 k = 0.3417 0.5365-0.0000 ( 5315 PWs) bands (ev): -13.8492 -13.8492 -13.6973 -13.6973 -11.0934 -11.0934 -10.8044 -10.8044 -3.0157 -3.0157 -2.7046 -2.7046 -1.5918 -1.5918 -1.0921 -1.0921 -0.8240 -0.8240 -0.6939 -0.6939 0.5773 0.5773 0.9423 0.9423 1.4357 1.4357 1.8046 1.8046 3.9459 3.9459 4.1992 4.1992 9.8178 9.8178 10.2098 10.2098 k = 0.3290 0.5365-0.0000 ( 5310 PWs) bands (ev): -13.8472 -13.8472 -13.7013 -13.7013 -11.0904 -11.0904 -10.8132 -10.8132 -3.0170 -3.0170 -2.7213 -2.7213 -1.5698 -1.5698 -1.0920 -1.0920 -0.8072 -0.8072 -0.6939 -0.6939 0.5936 0.5936 0.9462 0.9462 1.4303 1.4303 1.8040 1.8040 3.9661 3.9661 4.2079 4.2079 9.8702 9.8702 10.2000 10.2000 k = 0.3164 0.5365-0.0000 ( 5312 PWs) bands (ev): -13.8454 -13.8454 -13.7054 -13.7054 -11.0874 -11.0874 -10.8221 -10.8221 -3.0186 -3.0186 -2.7379 -2.7379 -1.5461 -1.5461 -1.0937 -1.0937 -0.7882 -0.7882 -0.6907 -0.6907 0.6112 0.6112 0.9498 0.9498 1.4250 1.4250 1.8030 1.8030 3.9867 3.9867 4.2173 4.2173 9.9249 9.9249 10.1828 10.1828 k = 0.3037 0.5365-0.0000 ( 5312 PWs) bands (ev): -13.8439 -13.8439 -13.7098 -13.7098 -11.0846 -11.0846 -10.8309 -10.8309 -3.0205 -3.0205 -2.7544 -2.7544 -1.5211 -1.5211 -1.0969 -1.0969 -0.7689 -0.7689 -0.6828 -0.6828 0.6299 0.6299 0.9532 0.9532 1.4199 1.4199 1.8017 1.8017 4.0076 4.0076 4.2270 4.2270 9.9816 9.9816 10.1572 10.1572 k = 0.2911 0.5365-0.0000 ( 5302 PWs) bands (ev): -13.8425 -13.8425 -13.7143 -13.7143 -11.0818 -11.0818 -10.8398 -10.8398 -3.0226 -3.0226 -2.7707 -2.7707 -1.4951 -1.4951 -1.1011 -1.1011 -0.7516 -0.7516 -0.6684 -0.6684 0.6494 0.6494 0.9562 0.9562 1.4152 1.4152 1.8000 1.8000 4.0288 4.0288 4.2372 4.2372 10.0394 10.0394 10.1229 10.1229 k = 0.2784 0.5365-0.0000 ( 5304 PWs) bands (ev): -13.8413 -13.8413 -13.7190 -13.7190 -11.0791 -11.0791 -10.8486 -10.8486 -3.0250 -3.0250 -2.7868 -2.7868 -1.4684 -1.4684 -1.1058 -1.1058 -0.7373 -0.7373 -0.6466 -0.6466 0.6694 0.6694 0.9589 0.9589 1.4111 1.4111 1.7978 1.7978 4.0502 4.0502 4.2476 4.2476 10.0687 10.0687 10.1088 10.1088 k = 0.2658 0.5365-0.0000 ( 5305 PWs) bands (ev): -13.8403 -13.8403 -13.7238 -13.7238 -11.0765 -11.0765 -10.8574 -10.8574 -3.0275 -3.0275 -2.8027 -2.8027 -1.4415 -1.4415 -1.1109 -1.1109 -0.7251 -0.7251 -0.6189 -0.6189 0.6896 0.6896 0.9612 0.9612 1.4078 1.4078 1.7952 1.7952 4.0716 4.0716 4.2582 4.2582 10.0182 10.0182 10.1662 10.1662 k = 0.2531 0.5365-0.0000 ( 5304 PWs) bands (ev): -13.8394 -13.8394 -13.7287 -13.7287 -11.0739 -11.0739 -10.8661 -10.8661 -3.0302 -3.0302 -2.8184 -2.8184 -1.4148 -1.4148 -1.1160 -1.1160 -0.7131 -0.7131 -0.5870 -0.5870 0.7098 0.7098 0.9631 0.9631 1.4053 1.4053 1.7920 1.7920 4.0930 4.0930 4.2689 4.2689 9.9553 9.9553 10.2283 10.2283 k = 0.2405 0.5365-0.0000 ( 5302 PWs) bands (ev): -13.8386 -13.8386 -13.7337 -13.7337 -11.0713 -11.0713 -10.8747 -10.8747 -3.0329 -3.0329 -2.8338 -2.8338 -1.3887 -1.3887 -1.1212 -1.1212 -0.7000 -0.7000 -0.5525 -0.5525 0.7295 0.7295 0.9644 0.9644 1.4040 1.4040 1.7883 1.7883 4.1142 4.1142 4.2796 4.2796 9.8848 9.8848 10.2902 10.2902 k = 0.2278 0.5365-0.0000 ( 5306 PWs) bands (ev): -13.8378 -13.8378 -13.7388 -13.7388 -11.0688 -11.0688 -10.8832 -10.8832 -3.0357 -3.0357 -2.8489 -2.8489 -1.3637 -1.3637 -1.1261 -1.1261 -0.6849 -0.6849 -0.5165 -0.5165 0.7487 0.7487 0.9653 0.9653 1.4040 1.4040 1.7839 1.7839 4.1351 4.1351 4.2903 4.2903 9.8089 9.8089 10.3404 10.3404 k = 0.2151 0.5365-0.0000 ( 5306 PWs) bands (ev): -13.8372 -13.8372 -13.7438 -13.7438 -11.0663 -11.0663 -10.8917 -10.8917 -3.0384 -3.0384 -2.8636 -2.8636 -1.3401 -1.3401 -1.1309 -1.1309 -0.6673 -0.6673 -0.4797 -0.4797 0.7669 0.7669 0.9657 0.9657 1.4054 1.4054 1.7789 1.7789 4.1557 4.1557 4.3007 4.3007 9.7292 9.7292 10.2730 10.2730 k = 0.2025 0.5365-0.0000 ( 5309 PWs) bands (ev): -13.8365 -13.8365 -13.7489 -13.7489 -11.0637 -11.0637 -10.9000 -10.9000 -3.0410 -3.0410 -2.8780 -2.8780 -1.3182 -1.3182 -1.1355 -1.1355 -0.6467 -0.6467 -0.4427 -0.4427 0.7840 0.7840 0.9655 0.9655 1.4084 1.4084 1.7732 1.7732 4.1759 4.1759 4.3109 4.3109 9.6476 9.6476 10.1567 10.1567 k = 0.1898 0.5365-0.0000 ( 5313 PWs) bands (ev): -13.8359 -13.8359 -13.7539 -13.7539 -11.0611 -11.0611 -10.9082 -10.9082 -3.0435 -3.0435 -2.8920 -2.8920 -1.2983 -1.2983 -1.1398 -1.1398 -0.6233 -0.6233 -0.4060 -0.4060 0.7997 0.7997 0.9647 0.9647 1.4130 1.4130 1.7668 1.7668 4.1955 4.1955 4.3207 4.3207 9.5656 9.5656 10.0392 10.0392 k = 0.1772 0.5365-0.0000 ( 5310 PWs) bands (ev): -13.8352 -13.8352 -13.7589 -13.7589 -11.0584 -11.0584 -10.9162 -10.9162 -3.0458 -3.0458 -2.9055 -2.9055 -1.2805 -1.2805 -1.1438 -1.1438 -0.5969 -0.5969 -0.3700 -0.3700 0.8140 0.8140 0.9632 0.9632 1.4192 1.4192 1.7597 1.7597 4.2145 4.2145 4.3301 4.3301 9.4846 9.4846 9.9242 9.9242 k = 0.1645 0.5365-0.0000 ( 5318 PWs) bands (ev): -13.8346 -13.8346 -13.7639 -13.7639 -11.0557 -11.0557 -10.9240 -10.9240 -3.0479 -3.0479 -2.9186 -2.9186 -1.2649 -1.2649 -1.1476 -1.1476 -0.5678 -0.5678 -0.3352 -0.3352 0.8267 0.8267 0.9612 0.9612 1.4271 1.4271 1.7519 1.7519 4.2327 4.2327 4.3390 4.3390 9.4060 9.4060 9.8129 9.8129 k = 0.1519 0.5365-0.0000 ( 5316 PWs) bands (ev): -13.8339 -13.8339 -13.7687 -13.7687 -11.0529 -11.0529 -10.9317 -10.9317 -3.0497 -3.0497 -2.9312 -2.9312 -1.2513 -1.2513 -1.1511 -1.1511 -0.5363 -0.5363 -0.3020 -0.3020 0.8379 0.8379 0.9585 0.9585 1.4365 1.4365 1.7434 1.7434 4.2502 4.2502 4.3473 4.3473 9.3307 9.3307 9.7062 9.7062 k = 0.1392 0.5365-0.0000 ( 5320 PWs) bands (ev): -13.8331 -13.8331 -13.7735 -13.7735 -11.0500 -11.0500 -10.9392 -10.9392 -3.0512 -3.0512 -2.9432 -2.9432 -1.2396 -1.2396 -1.1544 -1.1544 -0.5029 -0.5029 -0.2709 -0.2709 0.8476 0.8476 0.9553 0.9553 1.4472 1.4472 1.7342 1.7342 4.2668 4.2668 4.3549 4.3549 9.2598 9.2598 9.6046 9.6046 k = 0.1266 0.5365-0.0000 ( 5320 PWs) bands (ev): -13.8322 -13.8322 -13.7781 -13.7781 -11.0469 -11.0469 -10.9465 -10.9465 -3.0523 -3.0523 -2.9547 -2.9547 -1.2296 -1.2296 -1.1576 -1.1576 -0.4682 -0.4682 -0.2423 -0.2423 0.8560 0.8560 0.9516 0.9516 1.4591 1.4591 1.7243 1.7243 4.2826 4.2826 4.3618 4.3618 9.1942 9.1942 9.5087 9.5087 k = 0.1139 0.5365-0.0000 ( 5320 PWs) bands (ev): -13.8312 -13.8312 -13.7826 -13.7826 -11.0438 -11.0438 -10.9536 -10.9536 -3.0530 -3.0530 -2.9657 -2.9657 -1.2212 -1.2212 -1.1605 -1.1605 -0.4325 -0.4325 -0.2166 -0.2166 0.8632 0.8632 0.9474 0.9474 1.4720 1.4720 1.7138 1.7138 4.2973 4.2973 4.3680 4.3680 9.1345 9.1345 9.4190 9.4190 k = 0.1012 0.5365-0.0000 ( 5317 PWs) bands (ev): -13.8301 -13.8301 -13.7869 -13.7869 -11.0405 -11.0405 -10.9605 -10.9605 -3.0533 -3.0533 -2.9760 -2.9760 -1.2141 -1.2141 -1.1632 -1.1632 -0.3966 -0.3966 -0.1943 -0.1943 0.8693 0.8693 0.9429 0.9429 1.4856 1.4856 1.7028 1.7028 4.3110 4.3110 4.3733 4.3733 9.0815 9.0815 9.3358 9.3358 k = 0.0886 0.5365-0.0000 ( 5311 PWs) bands (ev): -13.8288 -13.8288 -13.7911 -13.7911 -11.0370 -11.0370 -10.9672 -10.9672 -3.0530 -3.0530 -2.9857 -2.9857 -1.2080 -1.2080 -1.1659 -1.1659 -0.3611 -0.3611 -0.1756 -0.1756 0.8746 0.8746 0.9381 0.9381 1.4998 1.4998 1.6912 1.6912 4.3236 4.3236 4.3777 4.3777 9.0356 9.0356 9.2595 9.2595 k = 0.0759 0.5365-0.0000 ( 5319 PWs) bands (ev): -13.8274 -13.8274 -13.7951 -13.7951 -11.0334 -11.0334 -10.9736 -10.9736 -3.0522 -3.0522 -2.9947 -2.9947 -1.2029 -1.2029 -1.1684 -1.1684 -0.3265 -0.3265 -0.1611 -0.1611 0.8793 0.8793 0.9331 0.9331 1.5142 1.5142 1.6793 1.6793 4.3351 4.3351 4.3811 4.3811 8.9972 8.9972 9.1904 9.1904 k = 0.0633 0.5365-0.0000 ( 5315 PWs) bands (ev): -13.8258 -13.8258 -13.7989 -13.7989 -11.0296 -11.0296 -10.9798 -10.9798 -3.0509 -3.0509 -3.0032 -3.0032 -1.1985 -1.1985 -1.1708 -1.1708 -0.2934 -0.2934 -0.1508 -0.1508 0.8835 0.8835 0.9280 0.9280 1.5288 1.5288 1.6669 1.6669 4.3455 4.3455 4.3835 4.3835 8.9667 8.9667 9.1288 9.1288 k = 0.0506 0.5365-0.0000 ( 5319 PWs) bands (ev): -13.8240 -13.8240 -13.8025 -13.8025 -11.0256 -11.0256 -10.9858 -10.9858 -3.0490 -3.0490 -3.0109 -3.0109 -1.1946 -1.1946 -1.1732 -1.1732 -0.2624 -0.2624 -0.1452 -0.1452 0.8875 0.8875 0.9229 0.9229 1.5434 1.5434 1.6542 1.6542 4.3546 4.3546 4.3849 4.3849 8.9445 8.9445 9.0749 9.0749 k = 0.0380 0.5365-0.0000 ( 5323 PWs) bands (ev): -13.8220 -13.8220 -13.8060 -13.8060 -11.0214 -11.0214 -10.9916 -10.9916 -3.0465 -3.0465 -3.0180 -3.0180 -1.1913 -1.1913 -1.1756 -1.1756 -0.2341 -0.2341 -0.1443 -0.1443 0.8914 0.8914 0.9178 0.9178 1.5580 1.5580 1.6412 1.6412 4.3626 4.3626 4.3852 4.3852 8.9307 8.9307 9.0290 9.0290 k = 0.0253 0.5365-0.0000 ( 5317 PWs) bands (ev): -13.8199 -13.8199 -13.8092 -13.8092 -11.0170 -11.0170 -10.9971 -10.9971 -3.0434 -3.0434 -3.0244 -3.0244 -1.1882 -1.1882 -1.1779 -1.1779 -0.2090 -0.2090 -0.1482 -0.1482 0.8953 0.8953 0.9129 0.9129 1.5724 1.5724 1.6279 1.6279 4.3694 4.3694 4.3844 4.3844 8.9256 8.9256 8.9913 8.9913 k = 0.0127 0.5365-0.0000 ( 5327 PWs) bands (ev): -13.8175 -13.8175 -13.8122 -13.8122 -11.0123 -11.0123 -11.0024 -11.0024 -3.0397 -3.0397 -3.0302 -3.0302 -1.1854 -1.1854 -1.1804 -1.1804 -0.1874 -0.1874 -0.1568 -0.1568 0.8994 0.8994 0.9082 0.9082 1.5866 1.5866 1.6144 1.6144 4.3749 4.3749 4.3824 4.3824 8.9290 8.9290 8.9620 8.9620 k = 0.0000 0.5365-0.0000 ( 5322 PWs) bands (ev): -13.8150 -13.8150 -13.8149 -13.8149 -11.0075 -11.0075 -11.0074 -11.0074 -3.0353 -3.0353 -3.0352 -3.0352 -1.1829 -1.1829 -1.1828 -1.1828 -0.1700 -0.1700 -0.1699 -0.1699 0.9037 0.9037 0.9037 0.9037 1.6006 1.6006 1.6007 1.6007 4.3793 4.3793 4.3793 4.3793 8.9412 8.9412 8.9412 8.9412 k = 0.0000 0.5365-0.0000 ( 5322 PWs) bands (ev): -13.8150 -13.8150 -13.8149 -13.8149 -11.0075 -11.0075 -11.0074 -11.0074 -3.0353 -3.0353 -3.0352 -3.0352 -1.1829 -1.1829 -1.1828 -1.1828 -0.1700 -0.1700 -0.1699 -0.1699 0.9037 0.9037 0.9037 0.9037 1.6006 1.6006 1.6007 1.6007 4.3793 4.3793 4.3793 4.3793 8.9412 8.9412 8.9412 8.9412 k = 0.0000 0.5365 0.0122 ( 5320 PWs) bands (ev): -13.8150 -13.8150 -13.8149 -13.8149 -11.0075 -11.0075 -11.0075 -11.0075 -3.0345 -3.0345 -3.0339 -3.0339 -1.1871 -1.1871 -1.1846 -1.1846 -0.1721 -0.1721 -0.1692 -0.1692 0.9018 0.9018 0.9120 0.9120 1.5968 1.5968 1.6065 1.6065 4.3769 4.3769 4.3778 4.3778 8.9427 8.9427 8.9432 8.9432 k = 0.0000 0.5365 0.0244 ( 5318 PWs) bands (ev): -13.8150 -13.8150 -13.8149 -13.8149 -11.0076 -11.0076 -11.0075 -11.0075 -3.0317 -3.0317 -3.0304 -3.0304 -1.1972 -1.1972 -1.1922 -1.1922 -0.1757 -0.1757 -0.1698 -0.1698 0.9062 0.9062 0.9266 0.9266 1.5952 1.5952 1.6147 1.6147 4.3706 4.3706 4.3725 4.3725 8.9476 8.9476 8.9487 8.9487 k = 0.0000 0.5365 0.0366 ( 5314 PWs) bands (ev): -13.8150 -13.8150 -13.8149 -13.8149 -11.0076 -11.0076 -11.0075 -11.0075 -3.0269 -3.0269 -3.0250 -3.0250 -1.2127 -1.2127 -1.2056 -1.2056 -0.1803 -0.1803 -0.1718 -0.1718 0.9162 0.9162 0.9470 0.9470 1.5957 1.5957 1.6251 1.6251 4.3607 4.3607 4.3635 4.3635 8.9560 8.9560 8.9576 8.9576 k = 0.0000 0.5365 0.0488 ( 5314 PWs) bands (ev): -13.8150 -13.8150 -13.8149 -13.8149 -11.0077 -11.0077 -11.0076 -11.0076 -3.0201 -3.0201 -3.0176 -3.0176 -1.2334 -1.2334 -1.2243 -1.2243 -0.1857 -0.1857 -0.1748 -0.1748 0.9310 0.9310 0.9723 0.9723 1.5985 1.5985 1.6379 1.6379 4.3472 4.3472 4.3509 4.3509 8.9676 8.9676 8.9697 8.9697 k = 0.0000 0.5365 0.0609 ( 5320 PWs) bands (ev): -13.8150 -13.8150 -13.8148 -13.8148 -11.0078 -11.0078 -11.0077 -11.0077 -3.0116 -3.0116 -3.0084 -3.0084 -1.2584 -1.2584 -1.2477 -1.2477 -0.1916 -0.1916 -0.1786 -0.1786 0.9494 0.9494 1.0013 1.0013 1.6037 1.6037 1.6533 1.6533 4.3305 4.3305 4.3350 4.3350 8.9825 8.9825 8.9850 8.9850 k = 0.0000 0.5365 0.0731 ( 5318 PWs) bands (ev): -13.8149 -13.8149 -13.8148 -13.8148 -11.0079 -11.0079 -11.0078 -11.0078 -3.0013 -3.0013 -2.9975 -2.9975 -1.2872 -1.2872 -1.2752 -1.2752 -0.1976 -0.1976 -0.1828 -0.1828 0.9703 0.9703 1.0328 1.0328 1.6114 1.6114 1.6712 1.6712 4.3108 4.3108 4.3162 4.3162 9.0003 9.0003 9.0033 9.0033 k = 0.0000 0.5365 0.0853 ( 5324 PWs) bands (ev): -13.8149 -13.8149 -13.8148 -13.8148 -11.0080 -11.0080 -11.0079 -11.0079 -2.9895 -2.9895 -2.9850 -2.9850 -1.3190 -1.3190 -1.3059 -1.3059 -0.2035 -0.2035 -0.1872 -0.1872 0.9926 0.9926 1.0655 1.0655 1.6219 1.6219 1.6917 1.6917 4.2886 4.2886 4.2947 4.2947 9.0208 9.0208 9.0242 9.0242 k = 0.0000 0.5365 0.0975 ( 5310 PWs) bands (ev): -13.8149 -13.8149 -13.8148 -13.8148 -11.0081 -11.0081 -11.0080 -11.0080 -2.9764 -2.9764 -2.9713 -2.9713 -1.3528 -1.3528 -1.3391 -1.3391 -0.2091 -0.2091 -0.1916 -0.1916 1.0152 1.0152 1.0979 1.0979 1.6352 1.6352 1.7146 1.7146 4.2643 4.2643 4.2711 4.2711 9.0438 9.0438 9.0476 9.0476 k = 0.0000 0.5365 0.1097 ( 5316 PWs) bands (ev): -13.8149 -13.8149 -13.8148 -13.8148 -11.0083 -11.0083 -11.0082 -11.0082 -2.9624 -2.9624 -2.9567 -2.9567 -1.3879 -1.3879 -1.3738 -1.3738 -0.2142 -0.2142 -0.1958 -0.1958 1.0371 1.0371 1.1290 1.1290 1.6515 1.6515 1.7396 1.7396 4.2384 4.2384 4.2460 4.2460 9.0689 9.0689 9.0729 9.0729 k = 0.0000 0.5365 0.1219 ( 5310 PWs) bands (ev): -13.8149 -13.8149 -13.8147 -13.8147 -11.0084 -11.0084 -11.0083 -11.0083 -2.9476 -2.9476 -2.9413 -2.9413 -1.4234 -1.4234 -1.4091 -1.4091 -0.2188 -0.2188 -0.1998 -0.1998 1.0578 1.0578 1.1576 1.1576 1.6704 1.6704 1.7663 1.7663 4.2117 4.2117 4.2198 4.2198 9.0955 9.0955 9.0998 9.0998 k = 0.0000 0.5365 0.1341 ( 5312 PWs) bands (ev): -13.8148 -13.8148 -13.8147 -13.8147 -11.0085 -11.0085 -11.0084 -11.0084 -2.9326 -2.9326 -2.9257 -2.9257 -1.4584 -1.4584 -1.4441 -1.4441 -0.2228 -0.2228 -0.2033 -0.2033 1.0766 1.0766 1.1832 1.1832 1.6915 1.6915 1.7940 1.7940 4.1848 4.1848 4.1934 4.1934 9.1232 9.1232 9.1277 9.1277 k = 0.0000 0.5365 0.1463 ( 5320 PWs) bands (ev): -13.8148 -13.8148 -13.8147 -13.8147 -11.0087 -11.0087 -11.0085 -11.0085 -2.9176 -2.9176 -2.9101 -2.9101 -1.4920 -1.4920 -1.4778 -1.4778 -0.2263 -0.2263 -0.2065 -0.2065 1.0932 1.0932 1.2052 1.2052 1.7141 1.7141 1.8218 1.8218 4.1584 4.1584 4.1674 4.1674 9.1512 9.1512 9.1560 9.1560 k = 0.0000 0.5365 0.1585 ( 5322 PWs) bands (ev): -13.8148 -13.8148 -13.8147 -13.8147 -11.0088 -11.0088 -11.0087 -11.0087 -2.9032 -2.9032 -2.8952 -2.8952 -1.5234 -1.5234 -1.5094 -1.5094 -0.2293 -0.2293 -0.2092 -0.2092 1.1075 1.1075 1.2236 1.2236 1.7372 1.7372 1.8488 1.8488 4.1332 4.1332 4.1426 4.1426 9.1789 9.1789 9.1837 9.1837 k = 0.0000 0.5365 0.1706 ( 5332 PWs) bands (ev): -13.8148 -13.8148 -13.8146 -13.8146 -11.0089 -11.0089 -11.0088 -11.0088 -2.8898 -2.8898 -2.8813 -2.8813 -1.5517 -1.5517 -1.5380 -1.5380 -0.2318 -0.2318 -0.2115 -0.2115 1.1195 1.1195 1.2385 1.2385 1.7595 1.7595 1.8741 1.8741 4.1102 4.1102 4.1198 4.1198 9.2051 9.2051 9.2100 9.2100 k = 0.0000 0.5365 0.1828 ( 5326 PWs) bands (ev): -13.8148 -13.8148 -13.8146 -13.8146 -11.0090 -11.0090 -11.0089 -11.0089 -2.8779 -2.8779 -2.8690 -2.8690 -1.5762 -1.5762 -1.5627 -1.5627 -0.2337 -0.2337 -0.2134 -0.2134 1.1292 1.1292 1.2502 1.2502 1.7799 1.7799 1.8965 1.8965 4.0900 4.0900 4.0999 4.0999 9.2289 9.2289 9.2338 9.2338 k = 0.0000 0.5365 0.1950 ( 5328 PWs) bands (ev): -13.8148 -13.8148 -13.8146 -13.8146 -11.0090 -11.0090 -11.0089 -11.0089 -2.8681 -2.8681 -2.8588 -2.8588 -1.5960 -1.5960 -1.5829 -1.5829 -0.2352 -0.2352 -0.2148 -0.2148 1.1365 1.1365 1.2589 1.2589 1.7972 1.7972 1.9151 1.9151 4.0734 4.0734 4.0835 4.0835 9.2491 9.2491 9.2541 9.2541 k = 0.0000 0.5365 0.2072 ( 5318 PWs) bands (ev): -13.8147 -13.8147 -13.8146 -13.8146 -11.0091 -11.0091 -11.0090 -11.0090 -2.8607 -2.8607 -2.8511 -2.8511 -1.6107 -1.6107 -1.5978 -1.5978 -0.2362 -0.2362 -0.2158 -0.2158 1.1417 1.1417 1.2649 1.2649 1.8104 1.8104 1.9290 1.9290 4.0610 4.0610 4.0712 4.0712 9.2647 9.2647 9.2696 9.2696 k = 0.0000 0.5365 0.2194 ( 5328 PWs) bands (ev): -13.8147 -13.8147 -13.8146 -13.8146 -11.0091 -11.0091 -11.0090 -11.0090 -2.8561 -2.8561 -2.8464 -2.8464 -1.6197 -1.6197 -1.6069 -1.6069 -0.2369 -0.2369 -0.2164 -0.2164 1.1448 1.1448 1.2684 1.2684 1.8186 1.8186 1.9376 1.9376 4.0534 4.0534 4.0636 4.0636 9.2744 9.2744 9.2793 9.2793 k = 0.0000 0.5365 0.2316 ( 5324 PWs) bands (ev): -13.8147 -13.8147 -13.8146 -13.8146 -11.0091 -11.0091 -11.0090 -11.0090 -2.8546 -2.8546 -2.8448 -2.8448 -1.6228 -1.6228 -1.6100 -1.6100 -0.2371 -0.2371 -0.2166 -0.2166 1.1458 1.1458 1.2695 1.2695 1.8214 1.8214 1.9406 1.9406 4.0508 4.0508 4.0611 4.0611 9.2777 9.2777 9.2826 9.2826 k = 0.0000 0.5365 0.2316 ( 5324 PWs) bands (ev): -13.8147 -13.8147 -13.8146 -13.8146 -11.0091 -11.0091 -11.0090 -11.0090 -2.8546 -2.8546 -2.8448 -2.8448 -1.6228 -1.6228 -1.6100 -1.6100 -0.2371 -0.2371 -0.2166 -0.2166 1.1458 1.1458 1.2695 1.2695 1.8214 1.8214 1.9406 1.9406 4.0508 4.0508 4.0611 4.0611 9.2777 9.2777 9.2826 9.2826 k = 0.0127 0.5365 0.2316 ( 5324 PWs) bands (ev): -13.8146 -13.8146 -13.8145 -13.8145 -11.0090 -11.0090 -11.0089 -11.0089 -2.8545 -2.8545 -2.8447 -2.8447 -1.6221 -1.6221 -1.6093 -1.6093 -0.2398 -0.2398 -0.2193 -0.2193 1.1461 1.1461 1.2699 1.2699 1.8206 1.8206 1.9399 1.9399 4.0509 4.0509 4.0611 4.0611 9.2805 9.2805 9.2853 9.2853 k = 0.0253 0.5365 0.2316 ( 5326 PWs) bands (ev): -13.8143 -13.8143 -13.8142 -13.8142 -11.0087 -11.0087 -11.0086 -11.0086 -2.8542 -2.8542 -2.8444 -2.8444 -1.6202 -1.6202 -1.6073 -1.6073 -0.2478 -0.2478 -0.2273 -0.2273 1.1469 1.1469 1.2710 1.2710 1.8184 1.8184 1.9380 1.9380 4.0510 4.0510 4.0612 4.0612 9.2889 9.2889 9.2935 9.2935 k = 0.0380 0.5365 0.2316 ( 5314 PWs) bands (ev): -13.8138 -13.8138 -13.8137 -13.8137 -11.0081 -11.0081 -11.0080 -11.0080 -2.8536 -2.8536 -2.8440 -2.8440 -1.6170 -1.6170 -1.6040 -1.6040 -0.2610 -0.2610 -0.2405 -0.2405 1.1482 1.1482 1.2728 1.2728 1.8146 1.8146 1.9348 1.9348 4.0512 4.0512 4.0614 4.0614 9.3029 9.3029 9.3071 9.3071 k = 0.0506 0.5365 0.2316 ( 5310 PWs) bands (ev): -13.8131 -13.8131 -13.8130 -13.8130 -11.0073 -11.0073 -11.0072 -11.0072 -2.8529 -2.8529 -2.8433 -2.8433 -1.6125 -1.6125 -1.5994 -1.5994 -0.2792 -0.2792 -0.2587 -0.2587 1.1499 1.1499 1.2750 1.2750 1.8093 1.8093 1.9302 1.9302 4.0516 4.0516 4.0617 4.0617 9.3225 9.3225 9.3263 9.3263 k = 0.0633 0.5365 0.2316 ( 5308 PWs) bands (ev): -13.8122 -13.8122 -13.8121 -13.8121 -11.0062 -11.0062 -11.0061 -11.0061 -2.8520 -2.8520 -2.8426 -2.8426 -1.6067 -1.6067 -1.5936 -1.5936 -0.3020 -0.3020 -0.2814 -0.2814 1.1518 1.1518 1.2777 1.2777 1.8026 1.8026 1.9243 1.9243 4.0519 4.0519 4.0621 4.0621 9.3479 9.3479 9.3511 9.3511 k = 0.0759 0.5365 0.2316 ( 5310 PWs) bands (ev): -13.8112 -13.8112 -13.8110 -13.8110 -11.0050 -11.0050 -11.0049 -11.0049 -2.8510 -2.8510 -2.8416 -2.8416 -1.5997 -1.5997 -1.5864 -1.5864 -0.3291 -0.3291 -0.3084 -0.3084 1.1537 1.1537 1.2805 1.2805 1.7943 1.7943 1.9171 1.9171 4.0524 4.0524 4.0625 4.0625 9.3791 9.3791 9.3816 9.3816 k = 0.0886 0.5365 0.2316 ( 5308 PWs) bands (ev): -13.8100 -13.8100 -13.8098 -13.8098 -11.0035 -11.0035 -11.0034 -11.0034 -2.8497 -2.8497 -2.8405 -2.8405 -1.5915 -1.5915 -1.5780 -1.5780 -0.3599 -0.3599 -0.3391 -0.3391 1.1556 1.1556 1.2832 1.2832 1.7847 1.7847 1.9084 1.9084 4.0529 4.0529 4.0629 4.0629 9.4162 9.4162 9.4180 9.4180 k = 0.1012 0.5365 0.2316 ( 5306 PWs) bands (ev): -13.8086 -13.8086 -13.8084 -13.8084 -11.0018 -11.0018 -11.0017 -11.0017 -2.8483 -2.8483 -2.8393 -2.8393 -1.5822 -1.5822 -1.5684 -1.5684 -0.3941 -0.3941 -0.3731 -0.3731 1.1573 1.1573 1.2857 1.2857 1.7736 1.7736 1.8984 1.8984 4.0534 4.0534 4.0633 4.0633 9.4590 9.4590 9.4601 9.4601 k = 0.1139 0.5365 0.2316 ( 5304 PWs) bands (ev): -13.8070 -13.8070 -13.8069 -13.8069 -11.0000 -11.0000 -10.9999 -10.9999 -2.8467 -2.8467 -2.8379 -2.8379 -1.5717 -1.5717 -1.5577 -1.5577 -0.4311 -0.4311 -0.4100 -0.4100 1.1586 1.1586 1.2878 1.2878 1.7612 1.7612 1.8869 1.8869 4.0540 4.0540 4.0638 4.0638 9.5074 9.5074 9.5078 9.5078 k = 0.1266 0.5365 0.2316 ( 5304 PWs) bands (ev): -13.8054 -13.8054 -13.8052 -13.8052 -10.9979 -10.9979 -10.9978 -10.9978 -2.8449 -2.8449 -2.8364 -2.8364 -1.5601 -1.5601 -1.5459 -1.5459 -0.4705 -0.4705 -0.4492 -0.4492 1.1594 1.1594 1.2894 1.2894 1.7474 1.7474 1.8741 1.8741 4.0545 4.0545 4.0642 4.0642 9.5611 9.5611 9.5614 9.5614 k = 0.1392 0.5365 0.2316 ( 5306 PWs) bands (ev): -13.8036 -13.8036 -13.8035 -13.8035 -10.9957 -10.9957 -10.9956 -10.9956 -2.8430 -2.8430 -2.8348 -2.8348 -1.5476 -1.5476 -1.5330 -1.5330 -0.5118 -0.5118 -0.4903 -0.4903 1.1598 1.1598 1.2902 1.2902 1.7326 1.7326 1.8598 1.8598 4.0550 4.0550 4.0645 4.0645 9.6196 9.6196 9.6206 9.6206 k = 0.1519 0.5365 0.2316 ( 5298 PWs) bands (ev): -13.8017 -13.8017 -13.8016 -13.8016 -10.9933 -10.9933 -10.9932 -10.9932 -2.8410 -2.8410 -2.8330 -2.8330 -1.5341 -1.5341 -1.5192 -1.5192 -0.5544 -0.5544 -0.5327 -0.5327 1.1596 1.1596 1.2901 1.2901 1.7166 1.7166 1.8441 1.8441 4.0554 4.0554 4.0648 4.0648 9.6831 9.6831 9.6846 9.6846 k = 0.1645 0.5365 0.2316 ( 5300 PWs) bands (ev): -13.7997 -13.7997 -13.7996 -13.7996 -10.9908 -10.9908 -10.9906 -10.9906 -2.8389 -2.8389 -2.8312 -2.8312 -1.5198 -1.5198 -1.5045 -1.5045 -0.5980 -0.5980 -0.5760 -0.5760 1.1588 1.1588 1.2891 1.2891 1.6996 1.6996 1.8272 1.8272 4.0558 4.0558 4.0649 4.0649 9.7509 9.7509 9.7530 9.7530 k = 0.1772 0.5365 0.2316 ( 5302 PWs) bands (ev): -13.7977 -13.7977 -13.7976 -13.7976 -10.9881 -10.9881 -10.9880 -10.9880 -2.8366 -2.8366 -2.8293 -2.8293 -1.5048 -1.5048 -1.4890 -1.4890 -0.6420 -0.6420 -0.6197 -0.6197 1.1574 1.1574 1.2871 1.2871 1.6819 1.6819 1.8089 1.8089 4.0560 4.0560 4.0649 4.0649 9.8226 9.8226 9.8251 9.8251 k = 0.1898 0.5365 0.2316 ( 5300 PWs) bands (ev): -13.7957 -13.7957 -13.7956 -13.7956 -10.9853 -10.9853 -10.9852 -10.9852 -2.8343 -2.8343 -2.8273 -2.8273 -1.4892 -1.4892 -1.4729 -1.4729 -0.6859 -0.6859 -0.6634 -0.6634 1.1554 1.1554 1.2840 1.2840 1.6634 1.6634 1.7894 1.7894 4.0561 4.0561 4.0647 4.0647 9.8975 9.8975 9.9003 9.9003 k = 0.2025 0.5365 0.2316 ( 5294 PWs) bands (ev): -13.7936 -13.7936 -13.7935 -13.7935 -10.9824 -10.9824 -10.9822 -10.9822 -2.8319 -2.8319 -2.8253 -2.8253 -1.4731 -1.4731 -1.4565 -1.4565 -0.7292 -0.7292 -0.7065 -0.7065 1.1529 1.1529 1.2796 1.2796 1.6445 1.6445 1.7688 1.7688 4.0560 4.0560 4.0643 4.0643 9.9746 9.9746 9.9776 9.9776 k = 0.2151 0.5365 0.2316 ( 5292 PWs) bands (ev): -13.7916 -13.7916 -13.7914 -13.7914 -10.9793 -10.9793 -10.9792 -10.9792 -2.8294 -2.8294 -2.8232 -2.8232 -1.4569 -1.4569 -1.4398 -1.4398 -0.7715 -0.7715 -0.7485 -0.7485 1.1500 1.1500 1.2741 1.2741 1.6254 1.6254 1.7472 1.7472 4.0557 4.0557 4.0637 4.0637 10.0530 10.0530 10.0560 10.0560 k = 0.2278 0.5365 0.2316 ( 5288 PWs) bands (ev): -13.7895 -13.7895 -13.7894 -13.7894 -10.9762 -10.9762 -10.9761 -10.9761 -2.8268 -2.8268 -2.8211 -2.8211 -1.4408 -1.4408 -1.4232 -1.4232 -0.8121 -0.8121 -0.7890 -0.7890 1.1467 1.1467 1.2673 1.2673 1.6061 1.6061 1.7246 1.7246 4.0552 4.0552 4.0628 4.0628 10.1317 10.1317 10.1345 10.1345 k = 0.2405 0.5365 0.2316 ( 5290 PWs) bands (ev): -13.7875 -13.7875 -13.7874 -13.7874 -10.9731 -10.9731 -10.9730 -10.9730 -2.8242 -2.8242 -2.8189 -2.8189 -1.4251 -1.4251 -1.4072 -1.4072 -0.8505 -0.8505 -0.8273 -0.8273 1.1431 1.1431 1.2592 1.2592 1.5870 1.5870 1.7012 1.7012 4.0544 4.0544 4.0616 4.0616 10.2092 10.2092 10.2117 10.2117 k = 0.2531 0.5365 0.2316 ( 5290 PWs) bands (ev): -13.7856 -13.7856 -13.7855 -13.7855 -10.9699 -10.9699 -10.9698 -10.9698 -2.8216 -2.8216 -2.8168 -2.8168 -1.4102 -1.4102 -1.3922 -1.3922 -0.8858 -0.8858 -0.8627 -0.8627 1.1392 1.1392 1.2498 1.2498 1.5682 1.5682 1.6770 1.6770 4.0534 4.0534 4.0600 4.0600 10.2839 10.2839 10.2859 10.2859 k = 0.2658 0.5365 0.2316 ( 5294 PWs) bands (ev): -13.7838 -13.7838 -13.7837 -13.7837 -10.9666 -10.9666 -10.9665 -10.9665 -2.8190 -2.8190 -2.8146 -2.8146 -1.3968 -1.3968 -1.3788 -1.3788 -0.9172 -0.9172 -0.8947 -0.8947 1.1353 1.1353 1.2391 1.2391 1.5500 1.5500 1.6522 1.6522 4.0520 4.0520 4.0581 4.0581 10.3536 10.3536 10.3548 10.3548 k = 0.2784 0.5365 0.2316 ( 5298 PWs) bands (ev): -13.7822 -13.7822 -13.7821 -13.7821 -10.9634 -10.9634 -10.9633 -10.9633 -2.8163 -2.8163 -2.8125 -2.8125 -1.3853 -1.3853 -1.3679 -1.3679 -0.9439 -0.9439 -0.9223 -0.9223 1.1313 1.1313 1.2270 1.2270 1.5326 1.5326 1.6269 1.6269 4.0503 4.0503 4.0559 4.0559 10.4144 10.4144 10.4145 10.4145 k = 0.2911 0.5365 0.2316 ( 5292 PWs) bands (ev): -13.7806 -13.7806 -13.7805 -13.7805 -10.9601 -10.9601 -10.9600 -10.9600 -2.8137 -2.8137 -2.8103 -2.8103 -1.3766 -1.3766 -1.3603 -1.3603 -0.9648 -0.9648 -0.9447 -0.9447 1.1273 1.1273 1.2135 1.2135 1.5162 1.5162 1.6011 1.6011 4.0483 4.0483 4.0533 4.0533 10.4569 10.4569 10.4581 10.4581 k = 0.3037 0.5365 0.2316 ( 5292 PWs) bands (ev): -13.7793 -13.7793 -13.7792 -13.7792 -10.9569 -10.9569 -10.9568 -10.9568 -2.8110 -2.8110 -2.8082 -2.8082 -1.3712 -1.3712 -1.3567 -1.3567 -0.9789 -0.9789 -0.9611 -0.9611 1.1235 1.1235 1.1988 1.1988 1.5010 1.5010 1.5751 1.5751 4.0460 4.0460 4.0502 4.0502 10.4681 10.4681 10.4704 10.4704 k = 0.3164 0.5365 0.2316 ( 5302 PWs) bands (ev): -13.7781 -13.7781 -13.7780 -13.7780 -10.9537 -10.9537 -10.9536 -10.9536 -2.8084 -2.8084 -2.8061 -2.8061 -1.3696 -1.3696 -1.3575 -1.3575 -0.9858 -0.9858 -0.9711 -0.9711 1.1199 1.1199 1.1828 1.1828 1.4870 1.4870 1.5490 1.5490 4.0433 4.0433 4.0469 4.0469 10.4478 10.4478 10.4500 10.4500 k = 0.3290 0.5365 0.2316 ( 5296 PWs) bands (ev): -13.7772 -13.7772 -13.7771 -13.7771 -10.9505 -10.9505 -10.9504 -10.9504 -2.8058 -2.8058 -2.8041 -2.8041 -1.3718 -1.3718 -1.3627 -1.3627 -0.9856 -0.9856 -0.9744 -0.9744 1.1165 1.1165 1.1656 1.1656 1.4745 1.4745 1.5228 1.5228 4.0404 4.0404 4.0431 4.0431 10.4129 10.4129 10.4145 10.4145 k = 0.3417 0.5365 0.2316 ( 5298 PWs) bands (ev): -13.7764 -13.7764 -13.7763 -13.7763 -10.9474 -10.9474 -10.9474 -10.9474 -2.8032 -2.8032 -2.8021 -2.8021 -1.3774 -1.3774 -1.3715 -1.3715 -0.9787 -0.9787 -0.9714 -0.9714 1.1134 1.1134 1.1473 1.1473 1.4634 1.4634 1.4968 1.4968 4.0371 4.0371 4.0389 4.0389 10.3738 10.3738 10.3749 10.3749 k = 0.3544 0.5365 0.2316 ( 5302 PWs) bands (ev): -13.7760 -13.7760 -13.7759 -13.7759 -10.9444 -10.9444 -10.9443 -10.9443 -2.8007 -2.8007 -2.8001 -2.8001 -1.3856 -1.3856 -1.3828 -1.3828 -0.9663 -0.9663 -0.9628 -0.9628 1.1106 1.1106 1.1281 1.1281 1.4538 1.4538 1.4710 1.4710 4.0334 4.0334 4.0344 4.0344 10.3348 10.3348 10.3354 10.3354 k = 0.3670 0.5365 0.2316 ( 5306 PWs) bands (ev): -13.7758 -13.7758 -13.7757 -13.7757 -10.9415 -10.9415 -10.9414 -10.9414 -2.7983 -2.7983 -2.7982 -2.7982 -1.3956 -1.3956 -1.3955 -1.3955 -0.9494 -0.9494 -0.9494 -0.9494 1.1080 1.1080 1.1081 1.1081 1.4457 1.4457 1.4458 1.4458 4.0295 4.0295 4.0296 4.0296 10.2975 10.2975 10.2975 10.2975 k = 0.3670 0.5365 0.2316 ( 5306 PWs) bands (ev): -13.7758 -13.7758 -13.7757 -13.7757 -10.9415 -10.9415 -10.9414 -10.9414 -2.7983 -2.7983 -2.7982 -2.7982 -1.3956 -1.3956 -1.3955 -1.3955 -0.9494 -0.9494 -0.9494 -0.9494 1.1080 1.1080 1.1081 1.1081 1.4457 1.4457 1.4458 1.4458 4.0295 4.0295 4.0296 4.0296 10.2975 10.2975 10.2975 10.2975 k = 0.3598 0.5259 0.2316 ( 5306 PWs) bands (ev): -13.7760 -13.7760 -13.7759 -13.7759 -10.9466 -10.9466 -10.9465 -10.9465 -2.8020 -2.8020 -2.8019 -2.8019 -1.3751 -1.3751 -1.3750 -1.3750 -0.9782 -0.9782 -0.9782 -0.9782 1.1279 1.1279 1.1280 1.1280 1.4750 1.4750 1.4751 1.4751 4.0368 4.0368 4.0369 4.0369 10.3650 10.3650 10.3650 10.3650 k = 0.3526 0.5154 0.2316 ( 5294 PWs) bands (ev): -13.7764 -13.7764 -13.7763 -13.7763 -10.9517 -10.9517 -10.9517 -10.9517 -2.8054 -2.8054 -2.8053 -2.8053 -1.3562 -1.3562 -1.3562 -1.3562 -1.0028 -1.0028 -1.0027 -1.0027 1.1469 1.1469 1.1470 1.1470 1.5050 1.5050 1.5051 1.5051 4.0425 4.0425 4.0426 4.0426 10.4372 10.4372 10.4372 10.4372 k = 0.3454 0.5049 0.2316 ( 5288 PWs) bands (ev): -13.7770 -13.7770 -13.7769 -13.7769 -10.9568 -10.9568 -10.9567 -10.9567 -2.8084 -2.8084 -2.8084 -2.8084 -1.3401 -1.3401 -1.3400 -1.3400 -1.0218 -1.0218 -1.0217 -1.0217 1.1652 1.1652 1.1653 1.1653 1.5354 1.5354 1.5355 1.5355 4.0468 4.0468 4.0468 4.0468 10.5131 10.5131 10.5132 10.5132 k = 0.3382 0.4944 0.2316 ( 5284 PWs) bands (ev): -13.7780 -13.7780 -13.7779 -13.7779 -10.9618 -10.9618 -10.9617 -10.9617 -2.8112 -2.8112 -2.8112 -2.8112 -1.3280 -1.3280 -1.3279 -1.3279 -1.0336 -1.0336 -1.0336 -1.0336 1.1828 1.1828 1.1829 1.1829 1.5658 1.5658 1.5659 1.5659 4.0497 4.0497 4.0497 4.0497 10.5913 10.5913 10.5914 10.5914 k = 0.3310 0.4839 0.2316 ( 5292 PWs) bands (ev): -13.7792 -13.7792 -13.7791 -13.7791 -10.9667 -10.9667 -10.9666 -10.9666 -2.8137 -2.8137 -2.8137 -2.8137 -1.3208 -1.3208 -1.3208 -1.3208 -1.0372 -1.0372 -1.0371 -1.0371 1.1998 1.1998 1.1999 1.1999 1.5958 1.5958 1.5959 1.5959 4.0514 4.0514 4.0515 4.0515 10.6674 10.6674 10.6674 10.6675 k = 0.3238 0.4733 0.2316 ( 5292 PWs) bands (ev): -13.7807 -13.7807 -13.7806 -13.7806 -10.9714 -10.9714 -10.9713 -10.9713 -2.8160 -2.8160 -2.8160 -2.8160 -1.3190 -1.3190 -1.3189 -1.3189 -1.0319 -1.0319 -1.0319 -1.0319 1.2162 1.2162 1.2163 1.2163 1.6250 1.6250 1.6251 1.6251 4.0523 4.0523 4.0524 4.0524 10.6988 10.6988 10.6988 10.6988 k = 0.3166 0.4628 0.2316 ( 5288 PWs) bands (ev): -13.7825 -13.7825 -13.7824 -13.7824 -10.9760 -10.9760 -10.9759 -10.9759 -2.8181 -2.8181 -2.8181 -2.8181 -1.3216 -1.3216 -1.3215 -1.3215 -1.0185 -1.0185 -1.0185 -1.0185 1.2321 1.2321 1.2321 1.2321 1.6531 1.6531 1.6532 1.6532 4.0525 4.0525 4.0525 4.0525 10.6953 10.6953 10.6953 10.6953 k = 0.3094 0.4523 0.2316 ( 5298 PWs) bands (ev): -13.7846 -13.7846 -13.7845 -13.7845 -10.9804 -10.9804 -10.9803 -10.9803 -2.8201 -2.8201 -2.8200 -2.8200 -1.3271 -1.3271 -1.3270 -1.3270 -0.9984 -0.9984 -0.9983 -0.9983 1.2475 1.2475 1.2476 1.2476 1.6797 1.6797 1.6798 1.6798 4.0522 4.0522 4.0522 4.0522 10.6905 10.6905 10.6905 10.6905 k = 0.3022 0.4418 0.2316 ( 5300 PWs) bands (ev): -13.7871 -13.7871 -13.7870 -13.7870 -10.9846 -10.9846 -10.9845 -10.9845 -2.8220 -2.8220 -2.8219 -2.8219 -1.3338 -1.3338 -1.3337 -1.3337 -0.9730 -0.9730 -0.9729 -0.9729 1.2625 1.2625 1.2625 1.2625 1.7045 1.7045 1.7046 1.7046 4.0517 4.0517 4.0518 4.0518 10.6863 10.6863 10.6863 10.6863 k = 0.2950 0.4313 0.2316 ( 5306 PWs) bands (ev): -13.7900 -13.7900 -13.7899 -13.7899 -10.9885 -10.9885 -10.9884 -10.9884 -2.8238 -2.8238 -2.8237 -2.8237 -1.3404 -1.3404 -1.3403 -1.3403 -0.9437 -0.9437 -0.9436 -0.9436 1.2770 1.2770 1.2771 1.2771 1.7272 1.7272 1.7273 1.7273 4.0514 4.0514 4.0515 4.0515 10.6830 10.6830 10.6830 10.6830 k = 0.2879 0.4208 0.2316 ( 5310 PWs) bands (ev): -13.7932 -13.7932 -13.7931 -13.7931 -10.9922 -10.9922 -10.9921 -10.9921 -2.8256 -2.8256 -2.8255 -2.8255 -1.3457 -1.3457 -1.3457 -1.3457 -0.9115 -0.9115 -0.9114 -0.9114 1.2912 1.2912 1.2912 1.2912 1.7476 1.7476 1.7477 1.7477 4.0514 4.0514 4.0515 4.0515 10.6804 10.6804 10.6805 10.6805 k = 0.2807 0.4102 0.2316 ( 5318 PWs) bands (ev): -13.7968 -13.7968 -13.7967 -13.7967 -10.9955 -10.9955 -10.9955 -10.9955 -2.8274 -2.8274 -2.8273 -2.8273 -1.3491 -1.3491 -1.3490 -1.3490 -0.8770 -0.8770 -0.8769 -0.8769 1.3049 1.3049 1.3050 1.3050 1.7654 1.7654 1.7655 1.7655 4.0520 4.0520 4.0521 4.0521 10.6775 10.6775 10.6775 10.6775 k = 0.2735 0.3997 0.2316 ( 5314 PWs) bands (ev): -13.8007 -13.8007 -13.8006 -13.8006 -10.9986 -10.9986 -10.9986 -10.9986 -2.8292 -2.8292 -2.8291 -2.8291 -1.3500 -1.3500 -1.3499 -1.3499 -0.8407 -0.8407 -0.8407 -0.8407 1.3182 1.3182 1.3182 1.3182 1.7805 1.7805 1.7805 1.7805 4.0534 4.0534 4.0535 4.0535 10.6645 10.6645 10.6645 10.6645 k = 0.2663 0.3892 0.2316 ( 5306 PWs) bands (ev): -13.8050 -13.8050 -13.8049 -13.8049 -11.0014 -11.0014 -11.0014 -11.0014 -2.8311 -2.8311 -2.8310 -2.8310 -1.3479 -1.3479 -1.3479 -1.3479 -0.8031 -0.8031 -0.8031 -0.8031 1.3310 1.3310 1.3310 1.3310 1.7926 1.7926 1.7927 1.7927 4.0558 4.0558 4.0558 4.0558 10.6027 10.6027 10.6027 10.6027 k = 0.2591 0.3787 0.2316 ( 5310 PWs) bands (ev): -13.8097 -13.8097 -13.8096 -13.8096 -11.0039 -11.0039 -11.0038 -11.0038 -2.8330 -2.8330 -2.8329 -2.8329 -1.3428 -1.3428 -1.3427 -1.3427 -0.7645 -0.7645 -0.7644 -0.7644 1.3432 1.3432 1.3433 1.3433 1.8019 1.8019 1.8019 1.8019 4.0591 4.0591 4.0592 4.0592 10.5156 10.5156 10.5157 10.5157 k = 0.2519 0.3682 0.2316 ( 5310 PWs) bands (ev): -13.8147 -13.8147 -13.8146 -13.8146 -11.0061 -11.0061 -11.0060 -11.0060 -2.8348 -2.8348 -2.8348 -2.8348 -1.3344 -1.3344 -1.3343 -1.3343 -0.7250 -0.7250 -0.7249 -0.7249 1.3550 1.3550 1.3550 1.3550 1.8081 1.8081 1.8082 1.8082 4.0636 4.0636 4.0637 4.0637 10.4215 10.4215 10.4216 10.4216 k = 0.2447 0.3576 0.2316 ( 5308 PWs) bands (ev): -13.8201 -13.8201 -13.8200 -13.8200 -11.0080 -11.0080 -11.0079 -11.0079 -2.8367 -2.8367 -2.8366 -2.8366 -1.3227 -1.3227 -1.3226 -1.3226 -0.6849 -0.6849 -0.6848 -0.6848 1.3660 1.3660 1.3661 1.3661 1.8115 1.8115 1.8115 1.8115 4.0692 4.0692 4.0692 4.0692 10.3236 10.3236 10.3237 10.3237 k = 0.2375 0.3471 0.2316 ( 5316 PWs) bands (ev): -13.8257 -13.8257 -13.8256 -13.8256 -11.0095 -11.0095 -11.0094 -11.0094 -2.8385 -2.8385 -2.8384 -2.8384 -1.3076 -1.3076 -1.3075 -1.3075 -0.6443 -0.6443 -0.6442 -0.6442 1.3764 1.3764 1.3764 1.3764 1.8120 1.8120 1.8121 1.8121 4.0758 4.0758 4.0758 4.0758 10.2234 10.2234 10.2235 10.2235 k = 0.2303 0.3366 0.2316 ( 5320 PWs) bands (ev): -13.8317 -13.8317 -13.8316 -13.8316 -11.0107 -11.0107 -11.0107 -11.0107 -2.8402 -2.8402 -2.8401 -2.8401 -1.2892 -1.2892 -1.2892 -1.2892 -0.6034 -0.6034 -0.6033 -0.6033 1.3858 1.3858 1.3859 1.3859 1.8100 1.8100 1.8100 1.8100 4.0833 4.0833 4.0834 4.0834 10.1219 10.1219 10.1220 10.1220 k = 0.2231 0.3261 0.2316 ( 5328 PWs) bands (ev): -13.8380 -13.8380 -13.8379 -13.8379 -11.0117 -11.0117 -11.0116 -11.0116 -2.8416 -2.8416 -2.8416 -2.8416 -1.2676 -1.2676 -1.2675 -1.2675 -0.5624 -0.5624 -0.5623 -0.5623 1.3943 1.3943 1.3944 1.3944 1.8055 1.8055 1.8056 1.8056 4.0916 4.0916 4.0917 4.0917 10.0201 10.0201 10.0201 10.0201 k = 0.2159 0.3156 0.2316 ( 5332 PWs) bands (ev): -13.8445 -13.8445 -13.8444 -13.8444 -11.0123 -11.0123 -11.0122 -11.0122 -2.8428 -2.8428 -2.8428 -2.8428 -1.2428 -1.2428 -1.2427 -1.2427 -0.5212 -0.5212 -0.5212 -0.5212 1.4015 1.4015 1.4016 1.4016 1.7991 1.7991 1.7992 1.7992 4.1005 4.1005 4.1005 4.1005 9.9185 9.9185 9.9186 9.9186 k = 0.2087 0.3050 0.2316 ( 5328 PWs) bands (ev): -13.8513 -13.8513 -13.8512 -13.8512 -11.0127 -11.0127 -11.0126 -11.0126 -2.8437 -2.8437 -2.8437 -2.8437 -1.2150 -1.2150 -1.2149 -1.2149 -0.4802 -0.4802 -0.4801 -0.4801 1.4074 1.4074 1.4075 1.4075 1.7911 1.7911 1.7912 1.7912 4.1097 4.1097 4.1097 4.1097 9.8180 9.8180 9.8180 9.8180 k = 0.2015 0.2945 0.2316 ( 5310 PWs) bands (ev): -13.8582 -13.8582 -13.8581 -13.8581 -11.0127 -11.0127 -11.0127 -11.0127 -2.8442 -2.8442 -2.8442 -2.8442 -1.1843 -1.1843 -1.1842 -1.1842 -0.4394 -0.4394 -0.4393 -0.4393 1.4115 1.4115 1.4116 1.4116 1.7819 1.7819 1.7820 1.7820 4.1189 4.1189 4.1189 4.1189 9.7190 9.7190 9.7191 9.7191 k = 0.1943 0.2840 0.2316 ( 5312 PWs) bands (ev): -13.8654 -13.8654 -13.8653 -13.8653 -11.0126 -11.0126 -11.0125 -11.0125 -2.8443 -2.8443 -2.8442 -2.8442 -1.1509 -1.1509 -1.1509 -1.1509 -0.3989 -0.3989 -0.3988 -0.3988 1.4136 1.4136 1.4136 1.4136 1.7722 1.7722 1.7722 1.7722 4.1278 4.1278 4.1278 4.1278 9.6223 9.6223 9.6223 9.6223 k = 0.1871 0.2735 0.2316 ( 5316 PWs) bands (ev): -13.8727 -13.8727 -13.8726 -13.8726 -11.0122 -11.0122 -11.0121 -11.0121 -2.8438 -2.8438 -2.8438 -2.8438 -1.1150 -1.1150 -1.1150 -1.1150 -0.3588 -0.3588 -0.3587 -0.3587 1.4133 1.4133 1.4133 1.4133 1.7624 1.7624 1.7625 1.7625 4.1361 4.1361 4.1362 4.1362 9.5281 9.5281 9.5282 9.5282 k = 0.1799 0.2630 0.2316 ( 5324 PWs) bands (ev): -13.8801 -13.8801 -13.8800 -13.8800 -11.0116 -11.0116 -11.0115 -11.0115 -2.8428 -2.8428 -2.8428 -2.8428 -1.0768 -1.0768 -1.0767 -1.0767 -0.3192 -0.3192 -0.3191 -0.3191 1.4102 1.4102 1.4103 1.4103 1.7532 1.7532 1.7533 1.7533 4.1436 4.1436 4.1436 4.1436 9.4371 9.4371 9.4372 9.4372 k = 0.1727 0.2525 0.2316 ( 5318 PWs) bands (ev): -13.8876 -13.8876 -13.8875 -13.8875 -11.0108 -11.0108 -11.0107 -11.0107 -2.8413 -2.8413 -2.8412 -2.8412 -1.0365 -1.0365 -1.0364 -1.0364 -0.2803 -0.2803 -0.2802 -0.2802 1.4040 1.4040 1.4041 1.4041 1.7452 1.7452 1.7452 1.7452 4.1499 4.1499 4.1499 4.1499 9.3497 9.3497 9.3498 9.3498 k = 0.1655 0.2419 0.2316 ( 5310 PWs) bands (ev): -13.8951 -13.8951 -13.8950 -13.8950 -11.0098 -11.0098 -11.0097 -11.0097 -2.8391 -2.8391 -2.8391 -2.8391 -0.9942 -0.9942 -0.9942 -0.9942 -0.2421 -0.2421 -0.2420 -0.2420 1.3946 1.3946 1.3947 1.3947 1.7387 1.7387 1.7388 1.7388 4.1547 4.1547 4.1547 4.1547 9.2663 9.2663 9.2663 9.2663 k = 0.1583 0.2314 0.2316 ( 5308 PWs) bands (ev): -13.9027 -13.9027 -13.9026 -13.9026 -11.0087 -11.0087 -11.0086 -11.0086 -2.8364 -2.8364 -2.8363 -2.8363 -0.9504 -0.9504 -0.9503 -0.9503 -0.2047 -0.2047 -0.2047 -0.2047 1.3819 1.3819 1.3820 1.3820 1.7341 1.7341 1.7342 1.7342 4.1578 4.1578 4.1579 4.1579 9.1871 9.1871 9.1872 9.1872 k = 0.1511 0.2209 0.2316 ( 5318 PWs) bands (ev): -13.9102 -13.9102 -13.9101 -13.9101 -11.0074 -11.0074 -11.0073 -11.0073 -2.8330 -2.8330 -2.8329 -2.8329 -0.9050 -0.9050 -0.9050 -0.9050 -0.1683 -0.1683 -0.1682 -0.1682 1.3659 1.3659 1.3660 1.3660 1.7315 1.7315 1.7316 1.7316 4.1590 4.1590 4.1590 4.1590 9.1125 9.1125 9.1126 9.1126 k = 0.1439 0.2104 0.2316 ( 5318 PWs) bands (ev): -13.9176 -13.9176 -13.9175 -13.9175 -11.0061 -11.0061 -11.0060 -11.0060 -2.8291 -2.8291 -2.8290 -2.8290 -0.8585 -0.8585 -0.8585 -0.8585 -0.1329 -0.1329 -0.1328 -0.1328 1.3470 1.3470 1.3470 1.3470 1.7308 1.7308 1.7309 1.7309 4.1581 4.1581 4.1582 4.1582 9.0428 9.0428 9.0428 9.0428 k = 0.1367 0.1999 0.2316 ( 5326 PWs) bands (ev): -13.9250 -13.9250 -13.9249 -13.9249 -11.0046 -11.0046 -11.0045 -11.0045 -2.8246 -2.8246 -2.8245 -2.8245 -0.8111 -0.8111 -0.8111 -0.8111 -0.0985 -0.0985 -0.0984 -0.0984 1.3254 1.3254 1.3255 1.3255 1.7319 1.7319 1.7319 1.7319 4.1550 4.1550 4.1551 4.1551 8.9780 8.9780 8.9781 8.9781 k = 0.1295 0.1893 0.2316 ( 5322 PWs) bands (ev): -13.9322 -13.9322 -13.9321 -13.9321 -11.0031 -11.0031 -11.0030 -11.0030 -2.8196 -2.8196 -2.8195 -2.8195 -0.7631 -0.7631 -0.7630 -0.7630 -0.0653 -0.0653 -0.0652 -0.0652 1.3017 1.3017 1.3018 1.3018 1.7344 1.7344 1.7345 1.7345 4.1497 4.1497 4.1498 4.1498 8.9184 8.9184 8.9185 8.9185 k = 0.1223 0.1788 0.2316 ( 5334 PWs) bands (ev): -13.9393 -13.9393 -13.9392 -13.9392 -11.0015 -11.0015 -11.0015 -11.0015 -2.8141 -2.8141 -2.8140 -2.8140 -0.7147 -0.7147 -0.7146 -0.7146 -0.0333 -0.0333 -0.0332 -0.0332 1.2763 1.2763 1.2764 1.2764 1.7382 1.7382 1.7383 1.7383 4.1421 4.1421 4.1422 4.1422 8.8640 8.8640 8.8640 8.8640 k = 0.1151 0.1683 0.2316 ( 5330 PWs) bands (ev): -13.9461 -13.9461 -13.9460 -13.9460 -11.0000 -11.0000 -10.9999 -10.9999 -2.8082 -2.8082 -2.8081 -2.8081 -0.6662 -0.6662 -0.6661 -0.6661 -0.0026 -0.0026 -0.0025 -0.0025 1.2496 1.2496 1.2497 1.2497 1.7430 1.7430 1.7431 1.7431 4.1324 4.1324 4.1325 4.1325 8.8147 8.8147 8.8148 8.8148 k = 0.1079 0.1578 0.2316 ( 5330 PWs) bands (ev): -13.9528 -13.9528 -13.9527 -13.9527 -10.9984 -10.9984 -10.9983 -10.9983 -2.8020 -2.8020 -2.8019 -2.8019 -0.6179 -0.6179 -0.6178 -0.6178 0.0268 0.0268 0.0269 0.0269 1.2220 1.2220 1.2221 1.2221 1.7485 1.7485 1.7486 1.7486 4.1207 4.1207 4.1207 4.1207 8.7705 8.7705 8.7706 8.7706 k = 0.1007 0.1473 0.2316 ( 5330 PWs) bands (ev): -13.9591 -13.9591 -13.9590 -13.9590 -10.9968 -10.9968 -10.9967 -10.9967 -2.7956 -2.7956 -2.7955 -2.7955 -0.5702 -0.5702 -0.5701 -0.5701 0.0549 0.0549 0.0550 0.0550 1.1939 1.1939 1.1940 1.1940 1.7545 1.7545 1.7546 1.7546 4.1071 4.1071 4.1072 4.1072 8.7313 8.7313 8.7314 8.7314 k = 0.0936 0.1367 0.2316 ( 5330 PWs) bands (ev): -13.9652 -13.9652 -13.9651 -13.9651 -10.9953 -10.9953 -10.9952 -10.9952 -2.7890 -2.7890 -2.7889 -2.7889 -0.5234 -0.5234 -0.5233 -0.5233 0.0815 0.0815 0.0816 0.0816 1.1657 1.1657 1.1658 1.1658 1.7608 1.7608 1.7609 1.7609 4.0920 4.0920 4.0921 4.0921 8.6968 8.6968 8.6969 8.6969 k = 0.0864 0.1262 0.2316 ( 5334 PWs) bands (ev): -13.9709 -13.9709 -13.9708 -13.9708 -10.9938 -10.9938 -10.9937 -10.9937 -2.7823 -2.7823 -2.7823 -2.7823 -0.4779 -0.4779 -0.4778 -0.4778 0.1067 0.1067 0.1068 0.1068 1.1376 1.1376 1.1377 1.1377 1.7673 1.7673 1.7673 1.7673 4.0757 4.0757 4.0757 4.0757 8.6669 8.6669 8.6669 8.6669 k = 0.0792 0.1157 0.2316 ( 5330 PWs) bands (ev): -13.9763 -13.9763 -13.9762 -13.9762 -10.9924 -10.9924 -10.9923 -10.9923 -2.7757 -2.7757 -2.7756 -2.7756 -0.4340 -0.4340 -0.4339 -0.4339 0.1305 0.1305 0.1306 0.1306 1.1100 1.1100 1.1101 1.1101 1.7737 1.7737 1.7738 1.7738 4.0584 4.0584 4.0585 4.0585 8.6412 8.6412 8.6412 8.6412 k = 0.0720 0.1052 0.2316 ( 5318 PWs) bands (ev): -13.9813 -13.9813 -13.9812 -13.9812 -10.9910 -10.9910 -10.9909 -10.9909 -2.7692 -2.7692 -2.7691 -2.7691 -0.3921 -0.3921 -0.3920 -0.3920 0.1528 0.1528 0.1529 0.1529 1.0832 1.0832 1.0832 1.0832 1.7800 1.7800 1.7801 1.7801 4.0407 4.0407 4.0408 4.0408 8.6193 8.6193 8.6194 8.6194 k = 0.0648 0.0947 0.2316 ( 5310 PWs) bands (ev): -13.9859 -13.9859 -13.9858 -13.9858 -10.9898 -10.9898 -10.9897 -10.9897 -2.7630 -2.7630 -2.7629 -2.7629 -0.3526 -0.3526 -0.3525 -0.3525 0.1735 0.1735 0.1736 0.1736 1.0574 1.0574 1.0575 1.0575 1.7860 1.7860 1.7861 1.7861 4.0230 4.0230 4.0230 4.0230 8.6011 8.6011 8.6012 8.6012 k = 0.0576 0.0842 0.2316 ( 5298 PWs) bands (ev): -13.9900 -13.9900 -13.9899 -13.9899 -10.9886 -10.9886 -10.9885 -10.9885 -2.7571 -2.7571 -2.7570 -2.7570 -0.3158 -0.3158 -0.3157 -0.3157 0.1926 0.1926 0.1927 0.1927 1.0329 1.0329 1.0330 1.0330 1.7917 1.7917 1.7918 1.7918 4.0056 4.0056 4.0056 4.0056 8.5861 8.5861 8.5861 8.5861 k = 0.0504 0.0736 0.2316 ( 5306 PWs) bands (ev): -13.9938 -13.9938 -13.9937 -13.9937 -10.9876 -10.9876 -10.9875 -10.9875 -2.7516 -2.7516 -2.7515 -2.7515 -0.2823 -0.2823 -0.2822 -0.2822 0.2101 0.2101 0.2102 0.2102 1.0102 1.0102 1.0102 1.0102 1.7969 1.7969 1.7970 1.7970 3.9890 3.9890 3.9890 3.9890 8.5739 8.5739 8.5739 8.5739 k = 0.0432 0.0631 0.2316 ( 5314 PWs) bands (ev): -13.9970 -13.9970 -13.9969 -13.9969 -10.9867 -10.9867 -10.9866 -10.9866 -2.7467 -2.7467 -2.7466 -2.7466 -0.2523 -0.2523 -0.2522 -0.2522 0.2257 0.2257 0.2258 0.2258 0.9894 0.9894 0.9895 0.9895 1.8016 1.8016 1.8017 1.8017 3.9736 3.9736 3.9736 3.9736 8.5641 8.5641 8.5642 8.5642 k = 0.0360 0.0526 0.2316 ( 5318 PWs) bands (ev): -13.9998 -13.9998 -13.9997 -13.9997 -10.9859 -10.9859 -10.9858 -10.9858 -2.7423 -2.7423 -2.7423 -2.7423 -0.2263 -0.2263 -0.2262 -0.2262 0.2394 0.2394 0.2395 0.2395 0.9710 0.9710 0.9710 0.9710 1.8057 1.8057 1.8058 1.8058 3.9598 3.9598 3.9599 3.9599 8.5565 8.5565 8.5566 8.5566 k = 0.0288 0.0421 0.2316 ( 5326 PWs) bands (ev): -14.0021 -14.0021 -14.0020 -14.0020 -10.9852 -10.9852 -10.9851 -10.9851 -2.7387 -2.7387 -2.7386 -2.7386 -0.2045 -0.2045 -0.2044 -0.2044 0.2511 0.2511 0.2511 0.2511 0.9552 0.9552 0.9553 0.9553 1.8091 1.8091 1.8092 1.8092 3.9480 3.9480 3.9481 3.9481 8.5508 8.5508 8.5508 8.5508 k = 0.0216 0.0316 0.2316 ( 5322 PWs) bands (ev): -14.0039 -14.0039 -14.0038 -14.0038 -10.9847 -10.9847 -10.9846 -10.9846 -2.7358 -2.7358 -2.7357 -2.7357 -0.1872 -0.1872 -0.1871 -0.1871 0.2604 0.2604 0.2605 0.2605 0.9425 0.9425 0.9426 0.9426 1.8118 1.8118 1.8119 1.8119 3.9385 3.9385 3.9386 3.9386 8.5466 8.5466 8.5467 8.5467 k = 0.0144 0.0210 0.2316 ( 5322 PWs) bands (ev): -14.0052 -14.0052 -14.0051 -14.0051 -10.9843 -10.9843 -10.9842 -10.9842 -2.7337 -2.7337 -2.7336 -2.7336 -0.1747 -0.1747 -0.1746 -0.1746 0.2672 0.2672 0.2673 0.2673 0.9332 0.9332 0.9333 0.9333 1.8138 1.8138 1.8139 1.8139 3.9315 3.9315 3.9316 3.9316 8.5438 8.5438 8.5439 8.5439 k = 0.0072 0.0105 0.2316 ( 5334 PWs) bands (ev): -14.0060 -14.0060 -14.0059 -14.0059 -10.9841 -10.9841 -10.9840 -10.9840 -2.7324 -2.7324 -2.7323 -2.7323 -0.1671 -0.1671 -0.1671 -0.1671 0.2714 0.2714 0.2715 0.2715 0.9275 0.9275 0.9276 0.9276 1.8150 1.8150 1.8151 1.8151 3.9273 3.9273 3.9273 3.9273 8.5422 8.5422 8.5422 8.5422 k = 0.0000 0.0000 0.2316 ( 5326 PWs) bands (ev): -14.0063 -14.0063 -14.0062 -14.0062 -10.9840 -10.9840 -10.9839 -10.9839 -2.7320 -2.7320 -2.7319 -2.7319 -0.1646 -0.1646 -0.1645 -0.1645 0.2728 0.2728 0.2729 0.2729 0.9256 0.9256 0.9256 0.9256 1.8154 1.8154 1.8155 1.8155 3.9258 3.9258 3.9259 3.9259 8.5417 8.5417 8.5417 8.5417 k = 0.0000 0.0000 0.2316 ( 5326 PWs) bands (ev): -14.0063 -14.0063 -14.0062 -14.0062 -10.9840 -10.9840 -10.9839 -10.9839 -2.7320 -2.7320 -2.7319 -2.7319 -0.1646 -0.1646 -0.1645 -0.1645 0.2728 0.2728 0.2729 0.2729 0.9256 0.9256 0.9256 0.9256 1.8154 1.8154 1.8155 1.8155 3.9258 3.9258 3.9259 3.9259 8.5417 8.5417 8.5417 8.5417 k = 0.0000 0.0000 0.2194 ( 5329 PWs) bands (ev): -14.0201 -14.0201 -13.9921 -13.9921 -11.0140 -11.0140 -10.9540 -10.9540 -2.7741 -2.7741 -2.6888 -2.6888 -0.1745 -0.1745 -0.1572 -0.1572 0.2692 0.2692 0.2760 0.2760 0.8963 0.8963 0.9571 0.9571 1.8131 1.8131 1.8180 1.8180 3.8941 3.8941 3.9594 3.9594 8.5078 8.5078 8.5708 8.5708 k = 0.0000 0.0000 0.2072 ( 5323 PWs) bands (ev): -14.0336 -14.0336 -13.9780 -13.9780 -11.0440 -11.0440 -10.9243 -10.9243 -2.8153 -2.8153 -2.6451 -2.6451 -0.1868 -0.1868 -0.1527 -0.1527 0.2652 0.2652 0.2785 0.2785 0.8698 0.8698 0.9902 0.9902 1.8109 1.8109 1.8208 1.8208 3.8644 3.8644 3.9947 3.9947 8.4696 8.4696 8.5948 8.5948 k = 0.0000 0.0000 0.1950 ( 5317 PWs) bands (ev): -14.0468 -14.0468 -13.9637 -13.9637 -11.0737 -11.0737 -10.8952 -10.8952 -2.8552 -2.8552 -2.6010 -2.6010 -0.2009 -0.2009 -0.1513 -0.1513 0.2608 0.2608 0.2803 0.2803 0.8467 0.8467 1.0242 1.0242 1.8089 1.8089 1.8238 1.8238 3.8369 3.8369 4.0314 4.0314 8.4279 8.4279 8.6131 8.6131 k = 0.0000 0.0000 0.1828 ( 5313 PWs) bands (ev): -14.0595 -14.0595 -13.9495 -13.9495 -11.1029 -11.1029 -10.8666 -10.8666 -2.8938 -2.8938 -2.5567 -2.5567 -0.2166 -0.2166 -0.1531 -0.1531 0.2562 0.2562 0.2815 0.2815 0.8273 0.8273 1.0587 1.0587 1.8072 1.8072 1.8270 1.8270 3.8116 3.8116 4.0693 4.0693 8.3832 8.3832 8.6258 8.6258 k = 0.0000 0.0000 0.1706 ( 5313 PWs) bands (ev): -14.0716 -14.0716 -13.9355 -13.9355 -11.1314 -11.1314 -10.8390 -10.8390 -2.9307 -2.9307 -2.5124 -2.5124 -0.2334 -0.2334 -0.1583 -0.1583 0.2512 0.2512 0.2819 0.2819 0.8119 0.8119 1.0930 1.0930 1.8056 1.8056 1.8303 1.8303 3.7885 3.7885 4.1080 4.1080 8.3364 8.3364 8.6328 8.6328 k = 0.0000 0.0000 0.1585 ( 5321 PWs) bands (ev): -14.0832 -14.0832 -13.9218 -13.9218 -11.1590 -11.1590 -10.8123 -10.8123 -2.9658 -2.9658 -2.4685 -2.4685 -0.2511 -0.2511 -0.1667 -0.1667 0.2461 0.2461 0.2819 0.2819 0.8004 0.8004 1.1266 1.1266 1.8043 1.8043 1.8338 1.8338 3.7677 3.7677 4.1471 4.1471 8.2881 8.2881 8.6343 8.6343 k = 0.0000 0.0000 0.1463 ( 5323 PWs) bands (ev): -14.0942 -14.0942 -13.9085 -13.9085 -11.1855 -11.1855 -10.7869 -10.7869 -2.9991 -2.9991 -2.4253 -2.4253 -0.2693 -0.2693 -0.1780 -0.1780 0.2409 0.2409 0.2814 0.2814 0.7926 0.7926 1.1592 1.1592 1.8031 1.8031 1.8374 1.8374 3.7492 3.7492 4.1864 4.1864 8.2390 8.2390 8.6308 8.6308 k = 0.0000 0.0000 0.1341 ( 5327 PWs) bands (ev): -14.1045 -14.1045 -13.8956 -13.8956 -11.2108 -11.2108 -10.7628 -10.7628 -3.0303 -3.0303 -2.3832 -2.3832 -0.2878 -0.2878 -0.1919 -0.1919 0.2357 0.2357 0.2807 0.2807 0.7881 0.7881 1.1902 1.1902 1.8022 1.8022 1.8411 1.8411 3.7329 3.7329 4.2253 4.2253 8.1900 8.1900 8.6230 8.6230 k = 0.0000 0.0000 0.1219 ( 5321 PWs) bands (ev): -14.1140 -14.1140 -13.8834 -13.8834 -11.2346 -11.2346 -10.7403 -10.7403 -3.0593 -3.0593 -2.3423 -2.3423 -0.3064 -0.3064 -0.2076 -0.2076 0.2306 0.2306 0.2799 0.2799 0.7863 0.7863 1.2195 1.2195 1.8014 1.8014 1.8448 1.8448 3.7187 3.7187 4.2634 4.2634 8.1418 8.1418 8.6115 8.6115 k = 0.0000 0.0000 0.1097 ( 5317 PWs) bands (ev): -14.1227 -14.1227 -13.8719 -13.8719 -11.2568 -11.2568 -10.7194 -10.7194 -3.0860 -3.0860 -2.3033 -2.3033 -0.3248 -0.3248 -0.2246 -0.2246 0.2259 0.2259 0.2792 0.2792 0.7868 0.7868 1.2466 1.2466 1.8008 1.8008 1.8485 1.8485 3.7065 3.7065 4.3001 4.3001 8.0952 8.0952 8.5972 8.5972 k = 0.0000 0.0000 0.0975 ( 5327 PWs) bands (ev): -14.1306 -14.1306 -13.8613 -13.8613 -11.2772 -11.2772 -10.7003 -10.7003 -3.1102 -3.1102 -2.2665 -2.2665 -0.3429 -0.3429 -0.2419 -0.2419 0.2215 0.2215 0.2785 0.2785 0.7888 0.7888 1.2714 1.2714 1.8003 1.8003 1.8521 1.8521 3.6962 3.6962 4.3351 4.3351 8.0508 8.0508 8.5811 8.5811 k = 0.0000 0.0000 0.0853 ( 5319 PWs) bands (ev): -14.1377 -14.1377 -13.8516 -13.8516 -11.2956 -11.2956 -10.6831 -10.6831 -3.1318 -3.1318 -2.2323 -2.2323 -0.3604 -0.3604 -0.2589 -0.2589 0.2176 0.2176 0.2779 0.2779 0.7919 0.7919 1.2936 1.2936 1.8000 1.8000 1.8556 1.8556 3.6876 3.6876 4.3676 4.3676 8.0095 8.0095 8.5642 8.5642 k = 0.0000 0.0000 0.0731 ( 5333 PWs) bands (ev): -14.1439 -14.1439 -13.8430 -13.8430 -11.3119 -11.3119 -10.6680 -10.6680 -3.1508 -3.1508 -2.2014 -2.2014 -0.3771 -0.3771 -0.2747 -0.2747 0.2142 0.2142 0.2774 0.2774 0.7955 0.7955 1.3131 1.3131 1.7997 1.7997 1.8589 1.8589 3.6805 3.6805 4.3972 4.3972 7.9720 7.9720 8.5473 8.5473 k = 0.0000 0.0000 0.0609 ( 5335 PWs) bands (ev): -14.1491 -14.1491 -13.8355 -13.8355 -11.3259 -11.3259 -10.6551 -10.6551 -3.1671 -3.1671 -2.1740 -2.1740 -0.3925 -0.3925 -0.2888 -0.2888 0.2114 0.2114 0.2770 0.2770 0.7992 0.7992 1.3297 1.3297 1.7996 1.7996 1.8619 1.8619 3.6749 3.6749 4.4233 4.4233 7.9390 7.9390 8.5314 8.5314 k = 0.0000 0.0000 0.0488 ( 5335 PWs) bands (ev): -14.1535 -14.1535 -13.8292 -13.8292 -11.3375 -11.3375 -10.6443 -10.6443 -3.1804 -3.1804 -2.1508 -2.1508 -0.4061 -0.4061 -0.3007 -0.3007 0.2091 0.2091 0.2767 0.2767 0.8027 0.8027 1.3434 1.3434 1.7995 1.7995 1.8644 1.8644 3.6706 3.6706 4.4455 4.4455 7.9110 7.9110 8.5173 8.5173 k = 0.0000 0.0000 0.0366 ( 5347 PWs) bands (ev): -14.1568 -14.1568 -13.8243 -13.8243 -11.3467 -11.3467 -10.6359 -10.6359 -3.1909 -3.1909 -2.1322 -2.1322 -0.4175 -0.4175 -0.3101 -0.3101 0.2073 0.2073 0.2764 0.2764 0.8056 0.8056 1.3541 1.3541 1.7994 1.7994 1.8665 1.8665 3.6673 3.6673 4.4632 4.4632 7.8886 7.8886 8.5056 8.5056 k = 0.0000 0.0000 0.0244 ( 5339 PWs) bands (ev): -14.1593 -14.1593 -13.8207 -13.8207 -11.3533 -11.3533 -10.6299 -10.6299 -3.1984 -3.1984 -2.1186 -2.1186 -0.4260 -0.4260 -0.3169 -0.3169 0.2060 0.2060 0.2763 0.2763 0.8079 0.8079 1.3618 1.3618 1.7994 1.7994 1.8681 1.8681 3.6651 3.6651 4.4762 4.4762 7.8722 7.8722 8.4968 8.4968 k = 0.0000 0.0000 0.0122 ( 5351 PWs) bands (ev): -14.1607 -14.1607 -13.8185 -13.8185 -11.3573 -11.3573 -10.6262 -10.6262 -3.2030 -3.2030 -2.1103 -2.1103 -0.4313 -0.4313 -0.3210 -0.3210 0.2053 0.2053 0.2762 0.2762 0.8093 0.8093 1.3664 1.3664 1.7994 1.7994 1.8691 1.8691 3.6638 3.6638 4.4841 4.4841 7.8623 7.8623 8.4914 8.4914 k = 0.0000 0.0000 0.0000 ( 5347 PWs) bands (ev): -14.1612 -14.1612 -13.8178 -13.8178 -11.3586 -11.3586 -10.6250 -10.6250 -3.2045 -3.2045 -2.1075 -2.1075 -0.4331 -0.4331 -0.3224 -0.3224 0.2050 0.2050 0.2762 0.2762 0.8098 0.8098 1.3679 1.3679 1.7994 1.7994 1.8694 1.8694 3.6634 3.6634 4.4868 4.4868 7.8590 7.8590 8.4896 8.4896 k = 0.0000 0.0000 0.0000 ( 5347 PWs) bands (ev): -14.1612 -14.1612 -13.8178 -13.8178 -11.3586 -11.3586 -10.6250 -10.6250 -3.2045 -3.2045 -2.1075 -2.1075 -0.4331 -0.4331 -0.3224 -0.3224 0.2050 0.2050 0.2762 0.2762 0.8098 0.8098 1.3679 1.3679 1.7994 1.7994 1.8694 1.8694 3.6634 3.6634 4.4868 4.4868 7.8590 7.8590 8.4896 8.4896 k =-0.0104 0.0071 0.0000 ( 5349 PWs) bands (ev): -14.1610 -14.1610 -13.8176 -13.8176 -11.3584 -11.3584 -10.6250 -10.6250 -3.2043 -3.2043 -2.1078 -2.1078 -0.4338 -0.4338 -0.3231 -0.3231 0.2022 0.2022 0.2730 0.2730 0.8113 0.8113 1.3680 1.3680 1.7993 1.7993 1.8683 1.8683 3.6637 3.6637 4.4864 4.4864 7.8633 7.8633 8.4919 8.4919 k =-0.0208 0.0143 0.0000 ( 5343 PWs) bands (ev): -14.1602 -14.1602 -13.8171 -13.8171 -11.3578 -11.3578 -10.6250 -10.6250 -3.2037 -3.2037 -2.1087 -2.1087 -0.4359 -0.4359 -0.3254 -0.3254 0.1936 0.1936 0.2638 0.2638 0.8155 0.8155 1.3681 1.3681 1.7990 1.7990 1.8649 1.8649 3.6646 3.6646 4.4852 4.4852 7.8764 7.8764 8.4989 8.4989 k =-0.0312 0.0214 0.0000 ( 5347 PWs) bands (ev): -14.1589 -14.1589 -13.8162 -13.8162 -11.3567 -11.3567 -10.6250 -10.6250 -3.2028 -3.2028 -2.1101 -2.1101 -0.4392 -0.4392 -0.3292 -0.3292 0.1794 0.1794 0.2488 0.2488 0.8220 0.8220 1.3684 1.3684 1.7985 1.7985 1.8595 1.8595 3.6660 3.6660 4.4833 4.4833 7.8980 7.8980 8.5106 8.5106 k =-0.0417 0.0285 0.0000 ( 5331 PWs) bands (ev): -14.1571 -14.1571 -13.8149 -13.8149 -11.3553 -11.3553 -10.6249 -10.6249 -3.2014 -3.2014 -2.1121 -2.1121 -0.4439 -0.4439 -0.3346 -0.3346 0.1599 0.1599 0.2288 0.2288 0.8304 0.8304 1.3686 1.3686 1.7977 1.7977 1.8520 1.8520 3.6680 3.6680 4.4806 4.4806 7.9282 7.9282 8.5270 8.5270 k =-0.0521 0.0356 0.0000 ( 5337 PWs) bands (ev): -14.1548 -14.1548 -13.8133 -13.8133 -11.3534 -11.3534 -10.6249 -10.6249 -3.1997 -3.1997 -2.1146 -2.1146 -0.4499 -0.4499 -0.3415 -0.3415 0.1354 0.1354 0.2043 0.2043 0.8399 0.8399 1.3686 1.3686 1.7963 1.7963 1.8428 1.8428 3.6705 3.6705 4.4772 4.4772 7.9666 7.9666 8.5479 8.5479 k =-0.0625 0.0428 0.0000 ( 5337 PWs) bands (ev): -14.1520 -14.1520 -13.8113 -13.8113 -11.3511 -11.3511 -10.6249 -10.6249 -3.1976 -3.1976 -2.1177 -2.1177 -0.4572 -0.4572 -0.3500 -0.3500 0.1062 0.1062 0.1762 0.1762 0.8500 0.8500 1.3684 1.3684 1.7937 1.7937 1.8325 1.8325 3.6734 3.6734 4.4731 4.4731 8.0131 8.0131 8.5735 8.5735 k =-0.0729 0.0499 0.0000 ( 5335 PWs) bands (ev): -14.1487 -14.1487 -13.8090 -13.8090 -11.3485 -11.3485 -10.6248 -10.6248 -3.1951 -3.1951 -2.1212 -2.1212 -0.4658 -0.4658 -0.3601 -0.3601 0.0729 0.0729 0.1450 0.1450 0.8601 0.8601 1.3679 1.3679 1.7889 1.7889 1.8222 1.8222 3.6767 3.6767 4.4683 4.4683 8.0673 8.0673 8.6037 8.6037 k =-0.0833 0.0570 0.0000 ( 5332 PWs) bands (ev): -14.1450 -14.1450 -13.8063 -13.8063 -11.3454 -11.3454 -10.6248 -10.6248 -3.1923 -3.1923 -2.1253 -2.1253 -0.4756 -0.4756 -0.3721 -0.3721 0.0359 0.0359 0.1113 0.1113 0.8698 0.8698 1.3668 1.3668 1.7799 1.7799 1.8142 1.8142 3.6804 3.6804 4.4628 4.4628 8.1290 8.1290 8.6383 8.6383 k =-0.0938 0.0641 0.0000 ( 5338 PWs) bands (ev): -14.1408 -14.1408 -13.8033 -13.8033 -11.3420 -11.3420 -10.6248 -10.6248 -3.1892 -3.1892 -2.1299 -2.1299 -0.4865 -0.4865 -0.3859 -0.3859 -0.0041 -0.0041 0.0758 0.0758 0.8786 0.8786 1.3651 1.3651 1.7658 1.7658 1.8092 1.8092 3.6843 3.6843 4.4566 4.4566 8.1978 8.1978 8.6773 8.6773 k =-0.1042 0.0713 0.0000 ( 5338 PWs) bands (ev): -14.1361 -14.1361 -13.8000 -13.8000 -11.3382 -11.3382 -10.6247 -10.6247 -3.1856 -3.1856 -2.1350 -2.1350 -0.4987 -0.4987 -0.4018 -0.4018 -0.0465 -0.0465 0.0387 0.0387 0.8862 0.8862 1.3625 1.3625 1.7479 1.7479 1.8063 1.8063 3.6884 3.6884 4.4499 4.4499 8.2733 8.2733 8.7206 8.7206 k =-0.1146 0.0784 0.0000 ( 5334 PWs) bands (ev): -14.1311 -14.1311 -13.7964 -13.7964 -11.3341 -11.3341 -10.6247 -10.6247 -3.1818 -3.1818 -2.1404 -2.1404 -0.5120 -0.5120 -0.4203 -0.4203 -0.0904 -0.0904 0.0006 0.0006 0.8925 0.8925 1.3591 1.3591 1.7274 1.7274 1.8044 1.8044 3.6926 3.6926 4.4425 4.4425 8.3550 8.3550 8.7680 8.7680 k =-0.1250 0.0855 0.0000 ( 5340 PWs) bands (ev): -14.1256 -14.1256 -13.7926 -13.7926 -11.3297 -11.3297 -10.6246 -10.6246 -3.1777 -3.1777 -2.1463 -2.1463 -0.5264 -0.5264 -0.4417 -0.4417 -0.1349 -0.1349 -0.0382 -0.0382 0.8973 0.8973 1.3545 1.3545 1.7050 1.7050 1.8029 1.8029 3.6968 3.6968 4.4346 4.4346 8.4424 8.4424 8.8193 8.8193 k =-0.1354 0.0926 0.0000 ( 5348 PWs) bands (ev): -14.1197 -14.1197 -13.7884 -13.7884 -11.3249 -11.3249 -10.6245 -10.6245 -3.1732 -3.1732 -2.1526 -2.1526 -0.5419 -0.5419 -0.4668 -0.4668 -0.1788 -0.1788 -0.0773 -0.0773 0.9004 0.9004 1.3486 1.3486 1.6812 1.6812 1.8017 1.8017 3.7010 3.7010 4.4263 4.4263 8.5351 8.5351 8.8744 8.8744 k =-0.1458 0.0998 0.0000 ( 5340 PWs) bands (ev): -14.1135 -14.1135 -13.7840 -13.7840 -11.3199 -11.3199 -10.6245 -10.6245 -3.1685 -3.1685 -2.1593 -2.1593 -0.5586 -0.5586 -0.4962 -0.4962 -0.2209 -0.2209 -0.1165 -0.1165 0.9018 0.9018 1.3412 1.3412 1.6566 1.6566 1.8006 1.8006 3.7050 3.7050 4.4174 4.4174 8.6324 8.6324 8.9328 8.9328 k =-0.1562 0.1069 0.0000 ( 5334 PWs) bands (ev): -14.1069 -14.1069 -13.7794 -13.7794 -11.3146 -11.3146 -10.6244 -10.6244 -3.1635 -3.1635 -2.1662 -2.1662 -0.5765 -0.5765 -0.5305 -0.5305 -0.2601 -0.2601 -0.1554 -0.1554 0.9015 0.9015 1.3320 1.3320 1.6316 1.6316 1.7996 1.7996 3.7089 3.7089 4.4082 4.4082 8.7336 8.7336 8.9942 8.9942 k =-0.1667 0.1140 0.0000 ( 5334 PWs) bands (ev): -14.1001 -14.1001 -13.7746 -13.7746 -11.3090 -11.3090 -10.6243 -10.6243 -3.1582 -3.1582 -2.1735 -2.1735 -0.5960 -0.5960 -0.5697 -0.5697 -0.2956 -0.2956 -0.1937 -0.1937 0.8994 0.8994 1.3207 1.3207 1.6065 1.6065 1.7986 1.7986 3.7125 3.7125 4.3986 4.3986 8.8380 8.8380 9.0581 9.0581 k =-0.1771 0.1211 0.0000 ( 5346 PWs) bands (ev): -14.0929 -14.0929 -13.7695 -13.7695 -11.3032 -11.3032 -10.6243 -10.6243 -3.1526 -3.1526 -2.1810 -2.1810 -0.6219 -0.6219 -0.6090 -0.6090 -0.3270 -0.3270 -0.2313 -0.2313 0.8956 0.8956 1.3070 1.3070 1.5821 1.5821 1.7976 1.7976 3.7158 3.7158 4.3886 4.3886 8.9448 8.9448 9.1238 9.1238 k =-0.1875 0.1283 0.0000 ( 5350 PWs) bands (ev): -14.0855 -14.0855 -13.7643 -13.7643 -11.2972 -11.2972 -10.6242 -10.6242 -3.1469 -3.1469 -2.1888 -2.1888 -0.6679 -0.6679 -0.6340 -0.6340 -0.3547 -0.3547 -0.2678 -0.2678 0.8900 0.8900 1.2906 1.2906 1.5587 1.5587 1.7966 1.7966 3.7188 3.7188 4.3784 4.3784 9.0529 9.0529 9.1907 9.1907 k =-0.1979 0.1354 0.0000 ( 5344 PWs) bands (ev): -14.0779 -14.0779 -13.7589 -13.7589 -11.2911 -11.2911 -10.6242 -10.6242 -3.1409 -3.1409 -2.1968 -2.1968 -0.7211 -0.7211 -0.6568 -0.6568 -0.3790 -0.3790 -0.3030 -0.3030 0.8827 0.8827 1.2711 1.2711 1.5368 1.5368 1.7956 1.7956 3.7214 3.7214 4.3679 4.3679 9.1612 9.1612 9.2579 9.2579 k =-0.2083 0.1425 0.0000 ( 5336 PWs) bands (ev): -14.0700 -14.0700 -13.7534 -13.7534 -11.2848 -11.2848 -10.6241 -10.6241 -3.1347 -3.1347 -2.2049 -2.2049 -0.7776 -0.7776 -0.6802 -0.6802 -0.4006 -0.4006 -0.3367 -0.3367 0.8739 0.8739 1.2486 1.2486 1.5169 1.5169 1.7946 1.7946 3.7236 3.7236 4.3572 4.3572 9.2679 9.2679 9.3243 9.3243 k =-0.2188 0.1497 0.0000 ( 5328 PWs) bands (ev): -14.0620 -14.0620 -13.7478 -13.7478 -11.2783 -11.2783 -10.6240 -10.6240 -3.1283 -3.1283 -2.2131 -2.2131 -0.8363 -0.8363 -0.7046 -0.7046 -0.4200 -0.4200 -0.3687 -0.3687 0.8635 0.8635 1.2229 1.2229 1.4990 1.4990 1.7937 1.7937 3.7253 3.7253 4.3464 4.3464 9.3696 9.3696 9.3899 9.3899 k =-0.2292 0.1568 0.0000 ( 5328 PWs) bands (ev): -14.0539 -14.0539 -13.7421 -13.7421 -11.2718 -11.2718 -10.6240 -10.6240 -3.1218 -3.1218 -2.2214 -2.2214 -0.8963 -0.8963 -0.7299 -0.7299 -0.4378 -0.4378 -0.3987 -0.3987 0.8515 0.8515 1.1944 1.1944 1.4833 1.4833 1.7928 1.7928 3.7266 3.7266 4.3355 4.3355 9.4290 9.4290 9.4445 9.4445 k =-0.2396 0.1639 0.0000 ( 5326 PWs) bands (ev): -14.0457 -14.0457 -13.7364 -13.7364 -11.2652 -11.2652 -10.6239 -10.6239 -3.1151 -3.1151 -2.2298 -2.2298 -0.9570 -0.9570 -0.7562 -0.7562 -0.4546 -0.4546 -0.4263 -0.4263 0.8382 0.8382 1.1634 1.1634 1.4695 1.4695 1.7919 1.7919 3.7275 3.7275 4.3246 4.3246 9.4332 9.4332 9.4996 9.4996 k =-0.2500 0.1710 0.0000 ( 5334 PWs) bands (ev): -14.0374 -14.0374 -13.7306 -13.7306 -11.2585 -11.2585 -10.6239 -10.6239 -3.1083 -3.1083 -2.2382 -2.2382 -1.0180 -1.0180 -0.7831 -0.7831 -0.4718 -0.4718 -0.4503 -0.4503 0.8234 0.8234 1.1305 1.1305 1.4576 1.4576 1.7911 1.7911 3.7278 3.7278 4.3136 4.3136 9.4334 9.4334 9.5464 9.5464 k =-0.2604 0.1782 0.0000 ( 5322 PWs) bands (ev): -14.0291 -14.0291 -13.7248 -13.7248 -11.2518 -11.2518 -10.6238 -10.6238 -3.1013 -3.1013 -2.2466 -2.2466 -1.0788 -1.0788 -0.8107 -0.8107 -0.4912 -0.4912 -0.4690 -0.4690 0.8073 0.8073 1.0961 1.0961 1.4471 1.4471 1.7904 1.7904 3.7278 3.7278 4.3027 4.3027 9.4300 9.4300 9.5841 9.5841 k =-0.2708 0.1853 0.0000 ( 5318 PWs) bands (ev): -14.0208 -14.0208 -13.7190 -13.7190 -11.2452 -11.2452 -10.6237 -10.6237 -3.0943 -3.0943 -2.2549 -2.2549 -1.1390 -1.1390 -0.8386 -0.8386 -0.5124 -0.5124 -0.4829 -0.4829 0.7898 0.7898 1.0608 1.0608 1.4380 1.4380 1.7898 1.7898 3.7274 3.7274 4.2919 4.2919 9.4233 9.4233 9.6118 9.6118 k =-0.2812 0.1924 0.0000 ( 5314 PWs) bands (ev): -14.0125 -14.0125 -13.7133 -13.7133 -11.2386 -11.2386 -10.6237 -10.6237 -3.0871 -3.0871 -2.2631 -2.2631 -1.1984 -1.1984 -0.8666 -0.8666 -0.5337 -0.5337 -0.4940 -0.4940 0.7710 0.7710 1.0251 1.0251 1.4299 1.4299 1.7892 1.7892 3.7266 3.7266 4.2813 4.2813 9.4131 9.4131 9.6294 9.6294 k =-0.2917 0.1995 0.0000 ( 5306 PWs) bands (ev): -14.0043 -14.0043 -13.7076 -13.7076 -11.2320 -11.2320 -10.6236 -10.6236 -3.0799 -3.0799 -2.2712 -2.2712 -1.2567 -1.2567 -0.8946 -0.8946 -0.5541 -0.5541 -0.5032 -0.5032 0.7507 0.7507 0.9897 0.9897 1.4228 1.4228 1.7887 1.7887 3.7254 3.7254 4.2708 4.2708 9.3999 9.3999 9.6375 9.6375 k =-0.3021 0.2067 0.0000 ( 5306 PWs) bands (ev): -13.9962 -13.9962 -13.7020 -13.7020 -11.2256 -11.2256 -10.6236 -10.6236 -3.0727 -3.0727 -2.2791 -2.2791 -1.3137 -1.3137 -0.9224 -0.9224 -0.5734 -0.5734 -0.5109 -0.5109 0.7290 0.7290 0.9550 0.9550 1.4165 1.4165 1.7883 1.7883 3.7239 3.7239 4.2605 4.2605 9.3839 9.3839 9.6372 9.6372 k =-0.3125 0.2138 0.0000 ( 5306 PWs) bands (ev): -13.9883 -13.9883 -13.6965 -13.6965 -11.2193 -11.2193 -10.6236 -10.6236 -3.0654 -3.0654 -2.2868 -2.2868 -1.3692 -1.3692 -0.9497 -0.9497 -0.5917 -0.5917 -0.5173 -0.5173 0.7058 0.7058 0.9215 0.9215 1.4109 1.4109 1.7880 1.7880 3.7221 3.7221 4.2505 4.2505 9.3654 9.3654 9.6300 9.6300 k =-0.3229 0.2209 0.0000 ( 5306 PWs) bands (ev): -13.9806 -13.9806 -13.6911 -13.6911 -11.2131 -11.2131 -10.6235 -10.6235 -3.0581 -3.0581 -2.2943 -2.2943 -1.4228 -1.4228 -0.9763 -0.9763 -0.6088 -0.6088 -0.5224 -0.5224 0.6810 0.6810 0.8897 0.8897 1.4059 1.4059 1.7878 1.7878 3.7201 3.7201 4.2408 4.2408 9.3448 9.3448 9.6176 9.6176 k =-0.3333 0.2280 0.0000 ( 5310 PWs) bands (ev): -13.9731 -13.9731 -13.6860 -13.6860 -11.2071 -11.2071 -10.6235 -10.6235 -3.0509 -3.0509 -2.3016 -2.3016 -1.4746 -1.4746 -1.0021 -1.0021 -0.6248 -0.6248 -0.5263 -0.5263 0.6548 0.6548 0.8598 0.8598 1.4014 1.4014 1.7877 1.7877 3.7180 3.7180 4.2315 4.2315 9.3226 9.3226 9.6013 9.6013 k =-0.3438 0.2352 0.0000 ( 5308 PWs) bands (ev): -13.9658 -13.9658 -13.6809 -13.6809 -11.2014 -11.2014 -10.6235 -10.6235 -3.0437 -3.0437 -2.3085 -2.3085 -1.5243 -1.5243 -1.0270 -1.0270 -0.6397 -0.6397 -0.5291 -0.5291 0.6272 0.6272 0.8321 0.8321 1.3975 1.3975 1.7876 1.7876 3.7156 3.7156 4.2225 4.2225 9.2992 9.2992 9.5824 9.5824 k =-0.3542 0.2423 0.0000 ( 5304 PWs) bands (ev): -13.9589 -13.9589 -13.6761 -13.6761 -11.1958 -11.1958 -10.6234 -10.6234 -3.0366 -3.0366 -2.3152 -2.3152 -1.5716 -1.5716 -1.0508 -1.0508 -0.6537 -0.6537 -0.5309 -0.5309 0.5986 0.5986 0.8068 0.8068 1.3940 1.3940 1.7877 1.7877 3.7132 3.7132 4.2139 4.2139 9.2750 9.2750 9.5620 9.5620 k =-0.3646 0.2494 0.0000 ( 5308 PWs) bands (ev): -13.9523 -13.9523 -13.6716 -13.6716 -11.1906 -11.1906 -10.6234 -10.6234 -3.0297 -3.0297 -2.3215 -2.3215 -1.6166 -1.6166 -1.0734 -1.0734 -0.6666 -0.6666 -0.5316 -0.5316 0.5693 0.5693 0.7837 0.7837 1.3909 1.3909 1.7878 1.7878 3.7107 3.7107 4.2057 4.2057 9.2505 9.2505 9.5409 9.5409 k =-0.3750 0.2566 0.0000 ( 5306 PWs) bands (ev): -13.9460 -13.9460 -13.6672 -13.6672 -11.1856 -11.1856 -10.6234 -10.6234 -3.0229 -3.0229 -2.3274 -2.3274 -1.6590 -1.6590 -1.0947 -1.0947 -0.6785 -0.6785 -0.5315 -0.5315 0.5397 0.5397 0.7629 0.7629 1.3881 1.3881 1.7880 1.7880 3.7082 3.7082 4.1981 4.1981 9.2261 9.2261 9.5197 9.5197 k =-0.3854 0.2637 0.0000 ( 5304 PWs) bands (ev): -13.9401 -13.9401 -13.6632 -13.6632 -11.1809 -11.1809 -10.6234 -10.6234 -3.0164 -3.0164 -2.3330 -2.3330 -1.6987 -1.6987 -1.1146 -1.1146 -0.6895 -0.6895 -0.5305 -0.5305 0.5103 0.5103 0.7441 0.7441 1.3857 1.3857 1.7882 1.7882 3.7057 3.7057 4.1909 4.1909 9.2021 9.2021 9.4990 9.4990 k =-0.3958 0.2708 0.0000 ( 5292 PWs) bands (ev): -13.9346 -13.9346 -13.6594 -13.6594 -11.1766 -11.1766 -10.6233 -10.6233 -3.0101 -3.0101 -2.3381 -2.3381 -1.7355 -1.7355 -1.1330 -1.1330 -0.6995 -0.6995 -0.5288 -0.5288 0.4817 0.4817 0.7273 0.7273 1.3836 1.3836 1.7884 1.7884 3.7033 3.7033 4.1843 4.1843 9.1790 9.1790 9.4793 9.4793 k =-0.4062 0.2779 0.0000 ( 5292 PWs) bands (ev): -13.9295 -13.9295 -13.6559 -13.6559 -11.1726 -11.1726 -10.6233 -10.6233 -3.0041 -3.0041 -2.3428 -2.3428 -1.7693 -1.7693 -1.1498 -1.1498 -0.7085 -0.7085 -0.5266 -0.5266 0.4542 0.4542 0.7123 0.7123 1.3818 1.3818 1.7887 1.7887 3.7010 3.7010 4.1783 4.1783 9.1571 9.1571 9.4607 9.4607 k =-0.4167 0.2851 0.0000 ( 5292 PWs) bands (ev): -13.9250 -13.9250 -13.6528 -13.6528 -11.1689 -11.1689 -10.6233 -10.6233 -2.9986 -2.9986 -2.3471 -2.3471 -1.8000 -1.8000 -1.1650 -1.1650 -0.7166 -0.7166 -0.5239 -0.5239 0.4283 0.4283 0.6990 0.6990 1.3803 1.3803 1.7890 1.7890 3.6989 3.6989 4.1728 4.1728 9.1366 9.1366 9.4435 9.4435 k =-0.4271 0.2922 0.0000 ( 5292 PWs) bands (ev): -13.9209 -13.9209 -13.6500 -13.6500 -11.1657 -11.1657 -10.6233 -10.6233 -2.9934 -2.9934 -2.3509 -2.3509 -1.8275 -1.8275 -1.1785 -1.1785 -0.7238 -0.7238 -0.5210 -0.5210 0.4043 0.4043 0.6873 0.6873 1.3790 1.3790 1.7893 1.7893 3.6969 3.6969 4.1679 4.1679 9.1180 9.1180 9.4281 9.4281 k =-0.4375 0.2993 0.0000 ( 5286 PWs) bands (ev): -13.9173 -13.9173 -13.6475 -13.6475 -11.1628 -11.1628 -10.6233 -10.6233 -2.9888 -2.9888 -2.3542 -2.3542 -1.8516 -1.8516 -1.1904 -1.1904 -0.7300 -0.7300 -0.5179 -0.5179 0.3827 0.3827 0.6773 0.6773 1.3779 1.3779 1.7895 1.7895 3.6951 3.6951 4.1636 4.1636 9.1013 9.1013 9.4144 9.4144 k =-0.4479 0.3064 0.0000 ( 5294 PWs) bands (ev): -13.9142 -13.9142 -13.6454 -13.6454 -11.1604 -11.1604 -10.6233 -10.6233 -2.9848 -2.9848 -2.3570 -2.3570 -1.8722 -1.8722 -1.2004 -1.2004 -0.7352 -0.7352 -0.5150 -0.5150 0.3638 0.3638 0.6688 0.6688 1.3770 1.3770 1.7898 1.7898 3.6936 3.6936 4.1599 4.1599 9.0868 9.0868 9.4027 9.4027 k =-0.4583 0.3136 0.0000 ( 5294 PWs) bands (ev): -13.9117 -13.9117 -13.6437 -13.6437 -11.1584 -11.1584 -10.6233 -10.6233 -2.9814 -2.9814 -2.3593 -2.3593 -1.8892 -1.8892 -1.2087 -1.2087 -0.7395 -0.7395 -0.5123 -0.5123 0.3479 0.3479 0.6619 0.6619 1.3763 1.3763 1.7900 1.7900 3.6923 3.6923 4.1569 4.1569 9.0748 9.0748 9.3930 9.3930 k =-0.4688 0.3207 0.0000 ( 5292 PWs) bands (ev): -13.9097 -13.9097 -13.6423 -13.6423 -11.1568 -11.1568 -10.6233 -10.6233 -2.9787 -2.9787 -2.3611 -2.3611 -1.9025 -1.9025 -1.2152 -1.2152 -0.7428 -0.7428 -0.5100 -0.5100 0.3352 0.3352 0.6565 0.6565 1.3757 1.3757 1.7902 1.7902 3.6913 3.6913 4.1546 4.1546 9.0653 9.0653 9.3854 9.3854 k =-0.4792 0.3278 0.0000 ( 5300 PWs) bands (ev): -13.9082 -13.9082 -13.6413 -13.6413 -11.1557 -11.1557 -10.6233 -10.6233 -2.9767 -2.9767 -2.3624 -2.3624 -1.9121 -1.9121 -1.2198 -1.2198 -0.7452 -0.7452 -0.5082 -0.5082 0.3259 0.3259 0.6527 0.6527 1.3753 1.3753 1.7903 1.7903 3.6905 3.6905 4.1529 4.1529 9.0584 9.0584 9.3799 9.3799 k =-0.4896 0.3349 0.0000 ( 5296 PWs) bands (ev): -13.9074 -13.9074 -13.6408 -13.6408 -11.1550 -11.1550 -10.6233 -10.6233 -2.9756 -2.9756 -2.3632 -2.3632 -1.9178 -1.9178 -1.2226 -1.2226 -0.7467 -0.7467 -0.5071 -0.5071 0.3203 0.3203 0.6504 0.6504 1.3751 1.3751 1.7904 1.7904 3.6901 3.6901 4.1519 4.1519 9.0542 9.0542 9.3767 9.3767 k =-0.5000 0.3421 0.0000 ( 5292 PWs) bands (ev): -13.9071 -13.9071 -13.6406 -13.6406 -11.1548 -11.1548 -10.6233 -10.6233 -2.9752 -2.9752 -2.3635 -2.3635 -1.9198 -1.9198 -1.2235 -1.2235 -0.7471 -0.7471 -0.5067 -0.5067 0.3184 0.3184 0.6497 0.6497 1.3750 1.3750 1.7904 1.7904 3.6899 3.6899 4.1516 4.1516 9.0528 9.0528 9.3756 9.3756 k =-0.5000 0.3421 0.0000 ( 5292 PWs) bands (ev): -13.9071 -13.9071 -13.6406 -13.6406 -11.1548 -11.1548 -10.6233 -10.6233 -2.9752 -2.9752 -2.3635 -2.3635 -1.9198 -1.9198 -1.2235 -1.2235 -0.7471 -0.7471 -0.5067 -0.5067 0.3184 0.3184 0.6497 0.6497 1.3750 1.3750 1.7904 1.7904 3.6899 3.6899 4.1516 4.1516 9.0528 9.0528 9.3756 9.3756 k =-0.4930 0.3523-0.0000 ( 5292 PWs) bands (ev): -13.9069 -13.9069 -13.6407 -13.6407 -11.1547 -11.1547 -10.6238 -10.6238 -2.9754 -2.9754 -2.3643 -2.3643 -1.9189 -1.9189 -1.2231 -1.2231 -0.7487 -0.7487 -0.5078 -0.5078 0.3193 0.3193 0.6516 0.6516 1.3761 1.3761 1.7905 1.7905 3.6899 3.6899 4.1512 4.1512 9.0526 9.0526 9.3824 9.3824 k =-0.4860 0.3625-0.0000 ( 5304 PWs) bands (ev): -13.9064 -13.9064 -13.6410 -13.6410 -11.1542 -11.1542 -10.6253 -10.6253 -2.9759 -2.9759 -2.3668 -2.3668 -1.9164 -1.9164 -1.2217 -1.2217 -0.7533 -0.7533 -0.5109 -0.5109 0.3218 0.3218 0.6573 0.6573 1.3793 1.3793 1.7908 1.7908 3.6900 3.6900 4.1501 4.1501 9.0525 9.0525 9.4026 9.4026 k =-0.4790 0.3728-0.0000 ( 5298 PWs) bands (ev): -13.9055 -13.9055 -13.6417 -13.6417 -11.1535 -11.1535 -10.6279 -10.6279 -2.9769 -2.9769 -2.3710 -2.3710 -1.9123 -1.9123 -1.2194 -1.2194 -0.7606 -0.7606 -0.5159 -0.5159 0.3260 0.3260 0.6666 0.6666 1.3845 1.3845 1.7912 1.7912 3.6903 3.6903 4.1483 4.1483 9.0536 9.0536 9.4348 9.4348 k =-0.4720 0.3830-0.0000 ( 5294 PWs) bands (ev): -13.9043 -13.9043 -13.6425 -13.6425 -11.1524 -11.1524 -10.6315 -10.6315 -2.9783 -2.9783 -2.3770 -2.3770 -1.9064 -1.9064 -1.2163 -1.2163 -0.7703 -0.7703 -0.5228 -0.5228 0.3317 0.3317 0.6792 0.6792 1.3914 1.3914 1.7918 1.7918 3.6908 3.6908 4.1460 4.1460 9.0573 9.0573 9.4775 9.4775 k =-0.4650 0.3932-0.0000 ( 5286 PWs) bands (ev): -13.9028 -13.9028 -13.6436 -13.6436 -11.1511 -11.1511 -10.6360 -10.6360 -2.9800 -2.9800 -2.3846 -2.3846 -1.8990 -1.8990 -1.2123 -1.2123 -0.7819 -0.7819 -0.5312 -0.5312 0.3388 0.3388 0.6946 0.6946 1.3996 1.3996 1.7926 1.7926 3.6920 3.6920 4.1433 4.1433 9.0647 9.0647 9.5294 9.5294 k =-0.4580 0.4035-0.0000 ( 5282 PWs) bands (ev): -13.9009 -13.9009 -13.6450 -13.6450 -11.1495 -11.1495 -10.6416 -10.6416 -2.9820 -2.9820 -2.3941 -2.3941 -1.8898 -1.8898 -1.2075 -1.2075 -0.7947 -0.7947 -0.5411 -0.5411 0.3472 0.3472 0.7123 0.7123 1.4089 1.4089 1.7935 1.7935 3.6939 3.6939 4.1405 4.1405 9.0765 9.0765 9.5892 9.5892 k =-0.4510 0.4137-0.0000 ( 5284 PWs) bands (ev): -13.8987 -13.8987 -13.6466 -13.6466 -11.1475 -11.1475 -10.6481 -10.6481 -2.9843 -2.9843 -2.4053 -2.4053 -1.8791 -1.8791 -1.2019 -1.2019 -0.8081 -0.8081 -0.5521 -0.5521 0.3569 0.3569 0.7318 0.7318 1.4187 1.4187 1.7945 1.7945 3.6970 3.6970 4.1377 4.1377 9.0935 9.0935 9.6559 9.6559 k =-0.4440 0.4239-0.0000 ( 5290 PWs) bands (ev): -13.8962 -13.8962 -13.6485 -13.6485 -11.1453 -11.1453 -10.6555 -10.6555 -2.9869 -2.9869 -2.4184 -2.4184 -1.8667 -1.8667 -1.1957 -1.1957 -0.8214 -0.8214 -0.5640 -0.5640 0.3676 0.3676 0.7525 0.7525 1.4286 1.4286 1.7956 1.7956 3.7015 3.7015 4.1352 4.1352 9.1159 9.1159 9.7286 9.7286 k =-0.4370 0.4341-0.0000 ( 5292 PWs) bands (ev): -13.8934 -13.8934 -13.6507 -13.6507 -11.1427 -11.1427 -10.6638 -10.6638 -2.9896 -2.9896 -2.4334 -2.4334 -1.8528 -1.8528 -1.1889 -1.1889 -0.8341 -0.8341 -0.5764 -0.5764 0.3795 0.3795 0.7739 0.7739 1.4381 1.4381 1.7967 1.7967 3.7078 3.7078 4.1332 4.1332 9.1441 9.1441 9.8066 9.8066 k =-0.4300 0.4444-0.0000 ( 5298 PWs) bands (ev): -13.8904 -13.8904 -13.6532 -13.6532 -11.1399 -11.1399 -10.6730 -10.6730 -2.9926 -2.9926 -2.4501 -2.4501 -1.8372 -1.8372 -1.1816 -1.1816 -0.8457 -0.8457 -0.5892 -0.5892 0.3924 0.3924 0.7953 0.7953 1.4468 1.4468 1.7979 1.7979 3.7161 3.7161 4.1321 4.1321 9.1780 9.1780 9.8890 9.8890 k =-0.4230 0.4546-0.0000 ( 5296 PWs) bands (ev): -13.8870 -13.8870 -13.6559 -13.6559 -11.1367 -11.1367 -10.6830 -10.6830 -2.9956 -2.9956 -2.4687 -2.4687 -1.8201 -1.8201 -1.1738 -1.1738 -0.8556 -0.8556 -0.6022 -0.6022 0.4063 0.4063 0.8164 0.8164 1.4543 1.4543 1.7991 1.7991 3.7267 3.7267 4.1320 4.1320 9.2177 9.2177 9.9749 9.9749 k =-0.4160 0.4648-0.0000 ( 5288 PWs) bands (ev): -13.8835 -13.8835 -13.6590 -13.6590 -11.1332 -11.1332 -10.6938 -10.6938 -2.9986 -2.9986 -2.4890 -2.4890 -1.8014 -1.8014 -1.1656 -1.1656 -0.8634 -0.8634 -0.6150 -0.6150 0.4211 0.4211 0.8366 0.8366 1.4603 1.4603 1.8002 1.8002 3.7399 3.7399 4.1331 4.1331 9.2632 9.2632 10.0625 10.0625 k =-0.4090 0.4751-0.0000 ( 5292 PWs) bands (ev): -13.8797 -13.8797 -13.6624 -13.6624 -11.1294 -11.1294 -10.7053 -10.7053 -3.0017 -3.0017 -2.5110 -2.5110 -1.7812 -1.7812 -1.1571 -1.1571 -0.8688 -0.8688 -0.6275 -0.6275 0.4369 0.4369 0.8556 0.8556 1.4645 1.4645 1.8013 1.8013 3.7558 3.7558 4.1356 4.1356 9.3142 9.3142 10.1417 10.1418 k =-0.4020 0.4853-0.0000 ( 5300 PWs) bands (ev): -13.8758 -13.8758 -13.6661 -13.6661 -11.1253 -11.1253 -10.7174 -10.7174 -3.0045 -3.0045 -2.5346 -2.5346 -1.7595 -1.7595 -1.1483 -1.1483 -0.8715 -0.8715 -0.6396 -0.6396 0.4536 0.4536 0.8732 0.8732 1.4667 1.4667 1.8022 1.8022 3.7745 3.7745 4.1397 4.1397 9.3705 9.3705 10.1694 10.1694 k =-0.3950 0.4955-0.0000 ( 5296 PWs) bands (ev): -13.8717 -13.8717 -13.6702 -13.6702 -11.1209 -11.1209 -10.7303 -10.7303 -3.0072 -3.0072 -2.5596 -2.5596 -1.7364 -1.7364 -1.1393 -1.1393 -0.8716 -0.8716 -0.6511 -0.6511 0.4711 0.4711 0.8890 0.8890 1.4667 1.4667 1.8030 1.8030 3.7960 3.7960 4.1453 4.1453 9.4319 9.4319 10.1825 10.1825 k =-0.3880 0.5058-0.0000 ( 5296 PWs) bands (ev): -13.8674 -13.8674 -13.6746 -13.6746 -11.1161 -11.1161 -10.7437 -10.7437 -3.0096 -3.0096 -2.5860 -2.5860 -1.7118 -1.7118 -1.1299 -1.1299 -0.8689 -0.8689 -0.6618 -0.6618 0.4895 0.4895 0.9030 0.9030 1.4647 1.4647 1.8037 1.8037 3.8202 3.8202 4.1526 4.1526 9.4981 9.4981 10.1932 10.1932 k =-0.3810 0.5160-0.0000 ( 5294 PWs) bands (ev): -13.8630 -13.8630 -13.6794 -13.6794 -11.1111 -11.1111 -10.7576 -10.7576 -3.0116 -3.0116 -2.6134 -2.6134 -1.6858 -1.6858 -1.1202 -1.1202 -0.8635 -0.8635 -0.6716 -0.6716 0.5087 0.5087 0.9152 0.9152 1.4605 1.4605 1.8042 1.8042 3.8471 3.8471 4.1614 4.1614 9.5686 9.5686 10.2021 10.2021 k =-0.3740 0.5262-0.0000 ( 5306 PWs) bands (ev): -13.8585 -13.8585 -13.6846 -13.6846 -11.1057 -11.1057 -10.7720 -10.7720 -3.0132 -3.0132 -2.6417 -2.6417 -1.6585 -1.6585 -1.1101 -1.1101 -0.8557 -0.8557 -0.6805 -0.6805 0.5287 0.5287 0.9254 0.9254 1.4543 1.4543 1.8046 1.8046 3.8762 3.8762 4.1718 4.1718 9.6431 9.6431 10.2089 10.2089 k =-0.3670 0.5365-0.0000 ( 5320 PWs) bands (ev): -13.8540 -13.8540 -13.6902 -13.6902 -11.0999 -11.0999 -10.7869 -10.7869 -3.0142 -3.0142 -2.6708 -2.6708 -1.6299 -1.6299 -1.0995 -1.0995 -0.8458 -0.8458 -0.6883 -0.6883 0.5494 0.5494 0.9339 0.9339 1.4463 1.4463 1.8049 1.8049 3.9075 3.9075 4.1835 4.1835 9.7209 9.7209 10.2135 10.2135 k =-0.3670 0.5365-0.0000 ( 5320 PWs) bands (ev): -13.8540 -13.8540 -13.6902 -13.6902 -11.0999 -11.0999 -10.7869 -10.7869 -3.0142 -3.0142 -2.6708 -2.6708 -1.6299 -1.6299 -1.0995 -1.0995 -0.8458 -0.8458 -0.6883 -0.6883 0.5494 0.5494 0.9339 0.9339 1.4463 1.4463 1.8049 1.8049 3.9075 3.9075 4.1835 4.1835 9.7209 9.7209 10.2135 10.2135 k =-0.3670 0.5365 0.0122 ( 5315 PWs) bands (ev): -13.8537 -13.8537 -13.6905 -13.6905 -11.0994 -11.0994 -10.7874 -10.7874 -3.0135 -3.0135 -2.6708 -2.6708 -1.6292 -1.6292 -1.1019 -1.1019 -0.8487 -0.8487 -0.6863 -0.6863 0.5519 0.5519 0.9334 0.9334 1.4480 1.4480 1.8034 1.8034 3.9074 3.9074 4.1832 4.1832 9.7239 9.7239 10.2152 10.2152 k =-0.3670 0.5365 0.0244 ( 5313 PWs) bands (ev): -13.8529 -13.8529 -13.6914 -13.6914 -11.0978 -11.0978 -10.7890 -10.7890 -3.0115 -3.0115 -2.6706 -2.6706 -1.6270 -1.6270 -1.1089 -1.1089 -0.8569 -0.8569 -0.6811 -0.6811 0.5593 0.5593 0.9322 0.9322 1.4531 1.4531 1.7990 1.7990 3.9071 3.9071 4.1823 4.1823 9.7328 9.7328 10.2203 10.2203 k =-0.3670 0.5365 0.0366 ( 5311 PWs) bands (ev): -13.8517 -13.8517 -13.6929 -13.6929 -11.0950 -11.0950 -10.7916 -10.7916 -3.0081 -3.0081 -2.6705 -2.6705 -1.6235 -1.6235 -1.1199 -1.1199 -0.8692 -0.8692 -0.6743 -0.6743 0.5716 0.5716 0.9310 0.9310 1.4607 1.4607 1.7917 1.7917 3.9068 3.9068 4.1808 4.1808 9.7476 9.7476 10.2287 10.2287 k =-0.3670 0.5365 0.0488 ( 5307 PWs) bands (ev): -13.8499 -13.8499 -13.6950 -13.6950 -11.0912 -11.0912 -10.7952 -10.7952 -3.0033 -3.0033 -2.6704 -2.6704 -1.6185 -1.6185 -1.1340 -1.1340 -0.8844 -0.8844 -0.6680 -0.6680 0.5884 0.5884 0.9307 0.9307 1.4699 1.4699 1.7816 1.7816 3.9067 3.9067 4.1785 4.1785 9.7680 9.7680 10.2405 10.2405 k =-0.3670 0.5365 0.0609 ( 5309 PWs) bands (ev): -13.8476 -13.8476 -13.6977 -13.6977 -11.0864 -11.0864 -10.7998 -10.7998 -2.9972 -2.9972 -2.6707 -2.6707 -1.6121 -1.6121 -1.1502 -1.1502 -0.9015 -0.9015 -0.6636 -0.6636 0.6094 0.6094 0.9325 0.9325 1.4794 1.4794 1.7689 1.7689 3.9068 3.9068 4.1755 4.1755 9.7937 9.7937 10.2555 10.2555 k =-0.3670 0.5365 0.0731 ( 5308 PWs) bands (ev): -13.8449 -13.8449 -13.7009 -13.7009 -11.0806 -11.0806 -10.8054 -10.8054 -2.9898 -2.9898 -2.6715 -2.6715 -1.6043 -1.6043 -1.1675 -1.1675 -0.9197 -0.9197 -0.6626 -0.6626 0.6343 0.6343 0.9373 0.9373 1.4882 1.4882 1.7538 1.7538 3.9075 3.9075 4.1716 4.1716 9.8242 9.8242 10.2737 10.2737 k =-0.3670 0.5365 0.0853 ( 5306 PWs) bands (ev): -13.8417 -13.8417 -13.7047 -13.7047 -11.0738 -11.0738 -10.8119 -10.8119 -2.9810 -2.9810 -2.6730 -2.6730 -1.5952 -1.5952 -1.1851 -1.1851 -0.9385 -0.9385 -0.6656 -0.6656 0.6627 0.6627 0.9458 0.9458 1.4950 1.4950 1.7366 1.7366 3.9091 3.9091 4.1668 4.1668 9.8590 9.8590 10.2950 10.2950 k =-0.3670 0.5365 0.0975 ( 5310 PWs) bands (ev): -13.8380 -13.8380 -13.7089 -13.7089 -11.0661 -11.0661 -10.8193 -10.8193 -2.9709 -2.9709 -2.6755 -2.6755 -1.5847 -1.5847 -1.2024 -1.2024 -0.9572 -0.9572 -0.6733 -0.6733 0.6942 0.6942 0.9585 0.9585 1.4989 1.4989 1.7174 1.7174 3.9117 3.9117 4.1610 4.1610 9.8975 9.8975 10.3193 10.3193 k =-0.3670 0.5365 0.1097 ( 5309 PWs) bands (ev): -13.8339 -13.8339 -13.7136 -13.7136 -11.0576 -11.0576 -10.8275 -10.8275 -2.9596 -2.9596 -2.6792 -2.6792 -1.5729 -1.5729 -1.2190 -1.2190 -0.9750 -0.9750 -0.6856 -0.6856 0.7284 0.7284 0.9754 0.9754 1.4992 1.4992 1.6968 1.6968 3.9156 3.9156 4.1541 4.1541 9.9387 9.9387 10.3463 10.3463 k =-0.3670 0.5365 0.1219 ( 5314 PWs) bands (ev): -13.8294 -13.8294 -13.7187 -13.7187 -11.0482 -11.0482 -10.8365 -10.8365 -2.9470 -2.9470 -2.6844 -2.6844 -1.5599 -1.5599 -1.2349 -1.2349 -0.9912 -0.9912 -0.7024 -0.7024 0.7649 0.7649 0.9961 0.9961 1.4952 1.4952 1.6748 1.6748 3.9210 3.9210 4.1461 4.1461 9.9818 9.9818 10.3716 10.3716 k =-0.3670 0.5365 0.1341 ( 5312 PWs) bands (ev): -13.8246 -13.8246 -13.7242 -13.7242 -11.0382 -11.0382 -10.8462 -10.8462 -2.9334 -2.9334 -2.6910 -2.6910 -1.5456 -1.5456 -1.2503 -1.2503 -1.0049 -1.0049 -0.7234 -0.7234 0.8034 0.8034 1.0201 1.0201 1.4870 1.4870 1.6519 1.6519 3.9279 3.9279 4.1369 4.1369 10.0255 10.0255 10.3652 10.3652 k =-0.3670 0.5365 0.1463 ( 5305 PWs) bands (ev): -13.8193 -13.8193 -13.7300 -13.7300 -11.0275 -11.0275 -10.8566 -10.8566 -2.9186 -2.9186 -2.6994 -2.6994 -1.5300 -1.5300 -1.2655 -1.2655 -1.0150 -1.0150 -0.7478 -0.7478 0.8433 0.8433 1.0463 1.0463 1.4749 1.4749 1.6280 1.6280 3.9364 3.9364 4.1266 4.1266 10.0687 10.0687 10.3574 10.3574 k =-0.3670 0.5365 0.1585 ( 5299 PWs) bands (ev): -13.8138 -13.8138 -13.7360 -13.7360 -11.0163 -11.0163 -10.8675 -10.8675 -2.9030 -2.9030 -2.7093 -2.7093 -1.5134 -1.5134 -1.2812 -1.2812 -1.0208 -1.0208 -0.7750 -0.7750 0.8841 0.8841 1.0733 1.0733 1.4599 1.4599 1.6032 1.6032 3.9464 3.9464 4.1152 4.1152 10.1102 10.1102 10.3527 10.3527 k =-0.3670 0.5365 0.1706 ( 5294 PWs) bands (ev): -13.8080 -13.8080 -13.7423 -13.7423 -11.0045 -11.0045 -10.8790 -10.8790 -2.8865 -2.8865 -2.7210 -2.7210 -1.4957 -1.4957 -1.2978 -1.2978 -1.0216 -1.0216 -0.8041 -0.8041 0.9254 0.9254 1.0990 1.0990 1.4438 1.4438 1.5775 1.5775 3.9578 3.9578 4.1028 4.1028 10.1493 10.1493 10.3499 10.3499 k =-0.3670 0.5365 0.1828 ( 5295 PWs) bands (ev): -13.8019 -13.8019 -13.7488 -13.7488 -10.9924 -10.9924 -10.8910 -10.8910 -2.8694 -2.8694 -2.7341 -2.7341 -1.4770 -1.4770 -1.3154 -1.3154 -1.0170 -1.0170 -0.8344 -0.8344 0.9665 0.9665 1.1208 1.1208 1.4292 1.4292 1.5507 1.5507 3.9705 3.9705 4.0894 4.0894 10.1852 10.1852 10.3467 10.3467 k =-0.3670 0.5365 0.1950 ( 5293 PWs) bands (ev): -13.7956 -13.7956 -13.7555 -13.7555 -10.9799 -10.9799 -10.9032 -10.9032 -2.8518 -2.8518 -2.7486 -2.7486 -1.4574 -1.4574 -1.3343 -1.3343 -1.0070 -1.0070 -0.8648 -0.8648 1.0066 1.0066 1.1350 1.1350 1.4197 1.4197 1.5233 1.5233 3.9843 3.9843 4.0752 4.0752 10.2180 10.2180 10.3410 10.3410 k =-0.3670 0.5365 0.2072 ( 5304 PWs) bands (ev): -13.7891 -13.7891 -13.7622 -13.7622 -10.9672 -10.9672 -10.9158 -10.9158 -2.8339 -2.8339 -2.7643 -2.7643 -1.4372 -1.4372 -1.3541 -1.3541 -0.9921 -0.9921 -0.8947 -0.8947 1.0446 1.0446 1.1382 1.1382 1.4188 1.4188 1.4957 1.4957 3.9989 3.9989 4.0603 4.0603 10.2477 10.2477 10.3311 10.3311 k =-0.3670 0.5365 0.2194 ( 5302 PWs) bands (ev): -13.7825 -13.7825 -13.7690 -13.7690 -10.9544 -10.9544 -10.9286 -10.9286 -2.8160 -2.8160 -2.7809 -2.7809 -1.4165 -1.4165 -1.3746 -1.3746 -0.9726 -0.9726 -0.9232 -0.9232 1.0791 1.0791 1.1287 1.1287 1.4280 1.4280 1.4692 1.4692 4.0141 4.0141 4.0450 4.0450 10.2743 10.2743 10.3166 10.3166 k =-0.3670 0.5365 0.2316 ( 5306 PWs) bands (ev): -13.7758 -13.7758 -13.7757 -13.7757 -10.9415 -10.9415 -10.9414 -10.9414 -2.7983 -2.7983 -2.7982 -2.7982 -1.3956 -1.3956 -1.3955 -1.3955 -0.9494 -0.9494 -0.9494 -0.9494 1.1080 1.1080 1.1081 1.1081 1.4457 1.4457 1.4458 1.4458 4.0295 4.0295 4.0296 4.0296 10.2975 10.2975 10.2975 10.2975 k =-0.3670 0.5365 0.2316 ( 5306 PWs) bands (ev): -13.7758 -13.7758 -13.7757 -13.7757 -10.9415 -10.9415 -10.9414 -10.9414 -2.7983 -2.7983 -2.7982 -2.7982 -1.3956 -1.3956 -1.3955 -1.3955 -0.9494 -0.9494 -0.9494 -0.9494 1.1080 1.1080 1.1081 1.1081 1.4457 1.4457 1.4458 1.4458 4.0295 4.0295 4.0296 4.0296 10.2975 10.2975 10.2975 10.2975 k =-0.3740 0.5262 0.2316 ( 5310 PWs) bands (ev): -13.7758 -13.7758 -13.7757 -13.7757 -10.9366 -10.9366 -10.9365 -10.9365 -2.7944 -2.7944 -2.7943 -2.7943 -1.4162 -1.4162 -1.4161 -1.4161 -0.9184 -0.9184 -0.9183 -0.9183 1.0879 1.0879 1.0879 1.0879 1.4183 1.4183 1.4183 1.4183 4.0209 4.0209 4.0210 4.0210 10.2366 10.2366 10.2366 10.2366 k =-0.3810 0.5160 0.2316 ( 5304 PWs) bands (ev): -13.7760 -13.7760 -13.7759 -13.7759 -10.9317 -10.9317 -10.9316 -10.9316 -2.7902 -2.7902 -2.7901 -2.7901 -1.4370 -1.4370 -1.4369 -1.4369 -0.8853 -0.8853 -0.8852 -0.8852 1.0669 1.0669 1.0669 1.0669 1.3921 1.3921 1.3922 1.3922 4.0108 4.0108 4.0108 4.0108 10.1807 10.1807 10.1807 10.1807 k =-0.3880 0.5058 0.2316 ( 5304 PWs) bands (ev): -13.7763 -13.7763 -13.7762 -13.7762 -10.9268 -10.9268 -10.9268 -10.9268 -2.7858 -2.7858 -2.7857 -2.7857 -1.4575 -1.4575 -1.4574 -1.4574 -0.8506 -0.8506 -0.8505 -0.8505 1.0451 1.0451 1.0452 1.0452 1.3675 1.3675 1.3676 1.3676 3.9992 3.9992 3.9993 3.9993 10.1298 10.1298 10.1298 10.1298 k =-0.3950 0.4955 0.2316 ( 5312 PWs) bands (ev): -13.7767 -13.7767 -13.7766 -13.7766 -10.9222 -10.9222 -10.9221 -10.9221 -2.7811 -2.7811 -2.7810 -2.7810 -1.4775 -1.4775 -1.4774 -1.4774 -0.8151 -0.8151 -0.8150 -0.8150 1.0226 1.0226 1.0227 1.0227 1.3446 1.3446 1.3447 1.3447 3.9863 3.9863 3.9864 3.9864 10.0837 10.0837 10.0838 10.0838 k =-0.4020 0.4853 0.2316 ( 5320 PWs) bands (ev): -13.7772 -13.7772 -13.7771 -13.7771 -10.9176 -10.9176 -10.9175 -10.9175 -2.7763 -2.7763 -2.7762 -2.7762 -1.4967 -1.4967 -1.4966 -1.4966 -0.7791 -0.7791 -0.7791 -0.7791 0.9996 0.9996 0.9997 0.9997 1.3236 1.3236 1.3236 1.3236 3.9723 3.9723 3.9723 3.9723 10.0425 10.0425 10.0425 10.0425 k =-0.4090 0.4751 0.2316 ( 5312 PWs) bands (ev): -13.7778 -13.7778 -13.7777 -13.7777 -10.9132 -10.9132 -10.9131 -10.9131 -2.7714 -2.7714 -2.7713 -2.7713 -1.5150 -1.5150 -1.5149 -1.5149 -0.7432 -0.7432 -0.7431 -0.7431 0.9763 0.9763 0.9764 0.9764 1.3043 1.3043 1.3044 1.3044 3.9572 3.9572 3.9573 3.9573 10.0058 10.0058 10.0058 10.0058 k =-0.4160 0.4648 0.2316 ( 5312 PWs) bands (ev): -13.7784 -13.7784 -13.7783 -13.7783 -10.9091 -10.9091 -10.9090 -10.9090 -2.7664 -2.7664 -2.7663 -2.7663 -1.5323 -1.5323 -1.5322 -1.5322 -0.7078 -0.7078 -0.7077 -0.7077 0.9530 0.9530 0.9531 0.9531 1.2869 1.2869 1.2870 1.2870 3.9415 3.9415 3.9416 3.9416 9.9733 9.9733 9.9734 9.9734 k =-0.4230 0.4546 0.2316 ( 5310 PWs) bands (ev): -13.7791 -13.7791 -13.7790 -13.7790 -10.9051 -10.9051 -10.9050 -10.9050 -2.7614 -2.7614 -2.7613 -2.7613 -1.5484 -1.5484 -1.5483 -1.5483 -0.6732 -0.6732 -0.6732 -0.6732 0.9299 0.9299 0.9300 0.9300 1.2713 1.2713 1.2714 1.2714 3.9253 3.9253 3.9254 3.9254 9.9449 9.9449 9.9450 9.9450 k =-0.4300 0.4444 0.2316 ( 5306 PWs) bands (ev): -13.7798 -13.7798 -13.7797 -13.7797 -10.9014 -10.9014 -10.9013 -10.9013 -2.7565 -2.7565 -2.7564 -2.7564 -1.5633 -1.5633 -1.5632 -1.5632 -0.6400 -0.6400 -0.6399 -0.6399 0.9074 0.9074 0.9074 0.9074 1.2574 1.2574 1.2575 1.2575 3.9090 3.9090 3.9091 3.9091 9.9202 9.9202 9.9202 9.9202 k =-0.4370 0.4341 0.2316 ( 5310 PWs) bands (ev): -13.7805 -13.7805 -13.7804 -13.7804 -10.8980 -10.8980 -10.8979 -10.8979 -2.7518 -2.7518 -2.7517 -2.7517 -1.5769 -1.5769 -1.5769 -1.5769 -0.6084 -0.6084 -0.6083 -0.6083 0.8857 0.8857 0.8858 0.8858 1.2452 1.2452 1.2452 1.2452 3.8929 3.8929 3.8930 3.8930 9.8988 9.8988 9.8989 9.8989 k =-0.4440 0.4239 0.2316 ( 5310 PWs) bands (ev): -13.7811 -13.7811 -13.7810 -13.7810 -10.8949 -10.8949 -10.8948 -10.8948 -2.7473 -2.7473 -2.7472 -2.7472 -1.5893 -1.5893 -1.5892 -1.5892 -0.5789 -0.5789 -0.5788 -0.5788 0.8653 0.8653 0.8654 0.8654 1.2345 1.2345 1.2345 1.2345 3.8773 3.8773 3.8774 3.8774 9.8806 9.8806 9.8806 9.8806 k =-0.4510 0.4137 0.2316 ( 5306 PWs) bands (ev): -13.7817 -13.7817 -13.7816 -13.7816 -10.8921 -10.8921 -10.8920 -10.8920 -2.7431 -2.7431 -2.7430 -2.7430 -1.6002 -1.6002 -1.6001 -1.6001 -0.5517 -0.5517 -0.5517 -0.5517 0.8464 0.8464 0.8465 0.8465 1.2252 1.2252 1.2253 1.2253 3.8626 3.8626 3.8627 3.8627 9.8650 9.8650 9.8650 9.8650 k =-0.4580 0.4035 0.2316 ( 5306 PWs) bands (ev): -13.7823 -13.7823 -13.7822 -13.7822 -10.8897 -10.8897 -10.8896 -10.8896 -2.7393 -2.7393 -2.7392 -2.7392 -1.6097 -1.6097 -1.6096 -1.6096 -0.5274 -0.5274 -0.5273 -0.5273 0.8294 0.8294 0.8295 0.8295 1.2173 1.2173 1.2174 1.2174 3.8491 3.8491 3.8492 3.8492 9.8521 9.8521 9.8521 9.8521 k =-0.4650 0.3932 0.2316 ( 5318 PWs) bands (ev): -13.7828 -13.7828 -13.7827 -13.7827 -10.8876 -10.8876 -10.8875 -10.8875 -2.7360 -2.7360 -2.7359 -2.7359 -1.6178 -1.6178 -1.6178 -1.6178 -0.5062 -0.5062 -0.5061 -0.5061 0.8145 0.8145 0.8145 0.8145 1.2107 1.2107 1.2108 1.2108 3.8371 3.8371 3.8371 3.8371 9.8414 9.8414 9.8414 9.8414 k =-0.4720 0.3830 0.2316 ( 5320 PWs) bands (ev): -13.7832 -13.7832 -13.7831 -13.7831 -10.8858 -10.8858 -10.8857 -10.8857 -2.7332 -2.7332 -2.7331 -2.7331 -1.6245 -1.6245 -1.6244 -1.6244 -0.4883 -0.4883 -0.4882 -0.4882 0.8019 0.8019 0.8019 0.8019 1.2054 1.2054 1.2055 1.2055 3.8268 3.8268 3.8269 3.8269 9.8329 9.8329 9.8329 9.8329 k =-0.4790 0.3728 0.2316 ( 5324 PWs) bands (ev): -13.7836 -13.7836 -13.7835 -13.7835 -10.8845 -10.8845 -10.8844 -10.8844 -2.7309 -2.7309 -2.7309 -2.7309 -1.6297 -1.6297 -1.6296 -1.6296 -0.4741 -0.4741 -0.4741 -0.4741 0.7918 0.7918 0.7919 0.7919 1.2014 1.2014 1.2014 1.2014 3.8186 3.8186 3.8186 3.8186 9.8263 9.8263 9.8264 9.8264 k =-0.4860 0.3625 0.2316 ( 5312 PWs) bands (ev): -13.7838 -13.7838 -13.7837 -13.7837 -10.8835 -10.8835 -10.8834 -10.8834 -2.7293 -2.7293 -2.7292 -2.7292 -1.6334 -1.6334 -1.6333 -1.6333 -0.4638 -0.4638 -0.4638 -0.4638 0.7846 0.7846 0.7846 0.7846 1.1985 1.1985 1.1986 1.1986 3.8126 3.8126 3.8126 3.8126 9.8218 9.8218 9.8218 9.8218 k =-0.4930 0.3523 0.2316 ( 5308 PWs) bands (ev): -13.7839 -13.7839 -13.7839 -13.7839 -10.8829 -10.8829 -10.8828 -10.8828 -2.7283 -2.7283 -2.7282 -2.7282 -1.6357 -1.6357 -1.6356 -1.6356 -0.4576 -0.4576 -0.4575 -0.4575 0.7801 0.7801 0.7802 0.7802 1.1968 1.1968 1.1968 1.1968 3.8089 3.8089 3.8089 3.8089 9.8191 9.8191 9.8191 9.8191 k =-0.5000 0.3421 0.2316 ( 5312 PWs) bands (ev): -13.7840 -13.7840 -13.7839 -13.7839 -10.8827 -10.8827 -10.8826 -10.8826 -2.7280 -2.7280 -2.7279 -2.7279 -1.6364 -1.6364 -1.6363 -1.6363 -0.4555 -0.4555 -0.4554 -0.4554 0.7786 0.7786 0.7787 0.7787 1.1962 1.1962 1.1963 1.1963 3.8076 3.8076 3.8077 3.8077 9.8182 9.8182 9.8183 9.8183 k =-0.5000 0.3421 0.2316 ( 5312 PWs) bands (ev): -13.7840 -13.7840 -13.7839 -13.7839 -10.8827 -10.8827 -10.8826 -10.8826 -2.7280 -2.7280 -2.7279 -2.7279 -1.6364 -1.6364 -1.6363 -1.6363 -0.4555 -0.4555 -0.4554 -0.4554 0.7786 0.7786 0.7787 0.7787 1.1962 1.1962 1.1963 1.1963 3.8076 3.8076 3.8077 3.8077 9.8182 9.8182 9.8183 9.8183 k =-0.5000 0.3421 0.2194 ( 5316 PWs) bands (ev): -13.7948 -13.7948 -13.7730 -13.7730 -10.9045 -10.9045 -10.8609 -10.8609 -2.7515 -2.7515 -2.7036 -2.7036 -1.6632 -1.6632 -1.6087 -1.6087 -0.4739 -0.4739 -0.4393 -0.4393 0.7479 0.7479 0.8074 0.8074 1.1542 1.1542 1.2415 1.2415 3.7892 3.7892 3.8276 3.8276 9.7850 9.7850 9.8409 9.8409 k =-0.5000 0.3421 0.2072 ( 5306 PWs) bands (ev): -13.8054 -13.8054 -13.7620 -13.7620 -10.9263 -10.9263 -10.8393 -10.8393 -2.7742 -2.7742 -2.6788 -2.6788 -1.6891 -1.6891 -1.5803 -1.5803 -0.4941 -0.4941 -0.4257 -0.4257 0.7167 0.7167 0.8312 0.8312 1.1185 1.1185 1.2884 1.2884 3.7724 3.7724 3.8488 3.8488 9.7426 9.7426 9.8521 9.8521 k =-0.5000 0.3421 0.1950 ( 5306 PWs) bands (ev): -13.8158 -13.8158 -13.7509 -13.7509 -10.9479 -10.9479 -10.8181 -10.8181 -2.7960 -2.7960 -2.6534 -2.6534 -1.7140 -1.7140 -1.5514 -1.5514 -0.5156 -0.5156 -0.4151 -0.4151 0.6862 0.6862 0.8454 0.8454 1.0938 1.0938 1.3356 1.3356 3.7572 3.7572 3.8712 3.8712 9.6928 9.6928 9.8516 9.8516 k =-0.5000 0.3421 0.1828 ( 5320 PWs) bands (ev): -13.8258 -13.8258 -13.7400 -13.7400 -10.9692 -10.9692 -10.7974 -10.7974 -2.8168 -2.8168 -2.6278 -2.6278 -1.7377 -1.7377 -1.5221 -1.5221 -0.5379 -0.5379 -0.4078 -0.4078 0.6569 0.6569 0.8451 0.8451 1.0852 1.0852 1.3825 1.3825 3.7437 3.7437 3.8944 3.8944 9.6376 9.6376 9.8400 9.8400 k =-0.5000 0.3421 0.1706 ( 5318 PWs) bands (ev): -13.8354 -13.8354 -13.7293 -13.7293 -10.9899 -10.9899 -10.7774 -10.7774 -2.8365 -2.8365 -2.6021 -2.6021 -1.7602 -1.7602 -1.4926 -1.4926 -0.5607 -0.5607 -0.4038 -0.4038 0.6288 0.6288 0.8298 0.8298 1.0933 1.0933 1.4284 1.4284 3.7320 3.7320 3.9184 3.9184 9.5792 9.5792 9.8184 9.8184 k =-0.5000 0.3421 0.1585 ( 5312 PWs) bands (ev): -13.8446 -13.8446 -13.7187 -13.7187 -11.0100 -11.0100 -10.7581 -10.7581 -2.8551 -2.8551 -2.5764 -2.5764 -1.7815 -1.7815 -1.4632 -1.4632 -0.5834 -0.5834 -0.4033 -0.4033 0.6018 0.6018 0.8047 0.8047 1.1135 1.1135 1.4730 1.4730 3.7219 3.7219 3.9427 3.9427 9.5192 9.5192 9.7884 9.7884 k =-0.5000 0.3421 0.1463 ( 5304 PWs) bands (ev): -13.8534 -13.8534 -13.7086 -13.7086 -11.0293 -11.0293 -10.7397 -10.7397 -2.8724 -2.8724 -2.5510 -2.5510 -1.8013 -1.8013 -1.4342 -1.4342 -0.6058 -0.6058 -0.4060 -0.4060 0.5753 0.5753 0.7758 0.7758 1.1402 1.1402 1.5157 1.5157 3.7135 3.7135 3.9671 3.9671 9.4592 9.4592 9.7518 9.7518 k =-0.5000 0.3421 0.1341 ( 5302 PWs) bands (ev): -13.8615 -13.8615 -13.6988 -13.6988 -11.0477 -11.0477 -10.7223 -10.7223 -2.8886 -2.8886 -2.5261 -2.5261 -1.8198 -1.8198 -1.4057 -1.4057 -0.6273 -0.6273 -0.4117 -0.4117 0.5487 0.5487 0.7475 0.7475 1.1698 1.1698 1.5562 1.5562 3.7067 3.7067 3.9914 3.9914 9.4006 9.4006 9.7106 9.7106 k =-0.5000 0.3421 0.1219 ( 5310 PWs) bands (ev): -13.8691 -13.8691 -13.6896 -13.6896 -11.0650 -11.0650 -10.7061 -10.7061 -2.9034 -2.9034 -2.5019 -2.5019 -1.8368 -1.8368 -1.3781 -1.3781 -0.6477 -0.6477 -0.4198 -0.4198 0.5214 0.5214 0.7222 0.7222 1.2000 1.2000 1.5944 1.5944 3.7013 3.7013 4.0150 4.0150 9.3446 9.3446 9.6666 9.6666 k =-0.5000 0.3421 0.1097 ( 5310 PWs) bands (ev): -13.8761 -13.8761 -13.6809 -13.6809 -11.0811 -11.0811 -10.6910 -10.6910 -2.9169 -2.9169 -2.4788 -2.4788 -1.8523 -1.8523 -1.3517 -1.3517 -0.6666 -0.6666 -0.4299 -0.4299 0.4931 0.4931 0.7013 0.7013 1.2296 1.2296 1.6297 1.6297 3.6972 3.6972 4.0378 4.0378 9.2919 9.2919 9.6216 9.6216 k =-0.5000 0.3421 0.0975 ( 5302 PWs) bands (ev): -13.8825 -13.8825 -13.6729 -13.6729 -11.0959 -11.0959 -10.6773 -10.6773 -2.9290 -2.9290 -2.4570 -2.4570 -1.8663 -1.8663 -1.3270 -1.3270 -0.6838 -0.6838 -0.4413 -0.4413 0.4643 0.4643 0.6850 0.6850 1.2577 1.2577 1.6621 1.6621 3.6942 3.6942 4.0593 4.0593 9.2435 9.2435 9.5772 9.5772 k =-0.5000 0.3421 0.0853 ( 5288 PWs) bands (ev): -13.8881 -13.8881 -13.6657 -13.6657 -11.1092 -11.1092 -10.6650 -10.6650 -2.9397 -2.9397 -2.4368 -2.4368 -1.8787 -1.8787 -1.3041 -1.3041 -0.6991 -0.6991 -0.4533 -0.4533 0.4356 0.4356 0.6730 0.6730 1.2836 1.2836 1.6913 1.6913 3.6921 3.6921 4.0793 4.0793 9.1998 9.1998 9.5348 9.5348 k =-0.5000 0.3421 0.0731 ( 5294 PWs) bands (ev): -13.8931 -13.8931 -13.6592 -13.6592 -11.1210 -11.1210 -10.6541 -10.6541 -2.9491 -2.9491 -2.4185 -2.4185 -1.8895 -1.8895 -1.2836 -1.2836 -0.7123 -0.7123 -0.4654 -0.4654 0.4081 0.4081 0.6644 0.6644 1.3068 1.3068 1.7170 1.7170 3.6908 3.6908 4.0974 4.0974 9.1614 9.1614 9.4956 9.4956 k =-0.5000 0.3421 0.0609 ( 5300 PWs) bands (ev): -13.8973 -13.8973 -13.6536 -13.6536 -11.1312 -11.1312 -10.6448 -10.6448 -2.9570 -2.9570 -2.4024 -2.4024 -1.8987 -1.8987 -1.2658 -1.2658 -0.7233 -0.7233 -0.4767 -0.4767 0.3829 0.3829 0.6585 0.6585 1.3271 1.3271 1.7391 1.7391 3.6901 3.6901 4.1133 4.1133 9.1285 9.1285 9.4607 9.4607 k =-0.5000 0.3421 0.0488 ( 5304 PWs) bands (ev): -13.9008 -13.9008 -13.6490 -13.6490 -11.1396 -11.1396 -10.6371 -10.6371 -2.9636 -2.9636 -2.3888 -2.3888 -1.9063 -1.9063 -1.2508 -1.2508 -0.7321 -0.7321 -0.4868 -0.4868 0.3608 0.3608 0.6546 0.6546 1.3440 1.3440 1.7574 1.7574 3.6898 3.6898 4.1267 4.1267 9.1013 9.1013 9.4310 9.4310 k =-0.5000 0.3421 0.0366 ( 5300 PWs) bands (ev): -13.9036 -13.9036 -13.6453 -13.6453 -11.1462 -11.1462 -10.6311 -10.6311 -2.9686 -2.9686 -2.3779 -2.3779 -1.9121 -1.9121 -1.2390 -1.2390 -0.7388 -0.7388 -0.4952 -0.4952 0.3428 0.3428 0.6521 0.6521 1.3575 1.3575 1.7718 1.7718 3.6898 3.6898 4.1374 4.1374 9.0802 9.0802 9.4072 9.4072 k =-0.5000 0.3421 0.0244 ( 5312 PWs) bands (ev): -13.9055 -13.9055 -13.6427 -13.6427 -11.1510 -11.1510 -10.6267 -10.6267 -2.9723 -2.9723 -2.3699 -2.3699 -1.9164 -1.9164 -1.2304 -1.2304 -0.7435 -0.7435 -0.5015 -0.5015 0.3294 0.3294 0.6507 0.6507 1.3672 1.3672 1.7821 1.7821 3.6898 3.6898 4.1452 4.1452 9.0650 9.0650 9.3897 9.3897 k =-0.5000 0.3421 0.0122 ( 5296 PWs) bands (ev): -13.9067 -13.9067 -13.6411 -13.6411 -11.1539 -11.1539 -10.6241 -10.6241 -2.9744 -2.9744 -2.3651 -2.3651 -1.9189 -1.9189 -1.2253 -1.2253 -0.7462 -0.7462 -0.5054 -0.5054 0.3212 0.3212 0.6499 0.6499 1.3731 1.3731 1.7883 1.7883 3.6899 3.6899 4.1500 4.1500 9.0559 9.0559 9.3791 9.3791 k =-0.5000 0.3421 0.0000 ( 5292 PWs) bands (ev): -13.9071 -13.9071 -13.6406 -13.6406 -11.1548 -11.1548 -10.6233 -10.6233 -2.9752 -2.9752 -2.3635 -2.3635 -1.9198 -1.9198 -1.2235 -1.2235 -0.7471 -0.7471 -0.5067 -0.5067 0.3184 0.3184 0.6497 0.6497 1.3750 1.3750 1.7904 1.7904 3.6899 3.6899 4.1516 4.1516 9.0528 9.0528 9.3756 9.3756 k = 0.0000 0.0000 0.2316 ( 5326 PWs) bands (ev): -14.0063 -14.0063 -14.0062 -14.0062 -10.9840 -10.9840 -10.9839 -10.9839 -2.7320 -2.7320 -2.7319 -2.7319 -0.1646 -0.1646 -0.1645 -0.1645 0.2728 0.2728 0.2729 0.2729 0.9256 0.9256 0.9256 0.9256 1.8154 1.8154 1.8155 1.8155 3.9258 3.9258 3.9259 3.9259 8.5417 8.5417 8.5417 8.5417 k =-0.0104 0.0071 0.2316 ( 5326 PWs) bands (ev): -14.0060 -14.0060 -14.0059 -14.0059 -10.9839 -10.9839 -10.9838 -10.9838 -2.7323 -2.7323 -2.7316 -2.7316 -0.1701 -0.1701 -0.1610 -0.1610 0.2645 0.2645 0.2765 0.2765 0.9212 0.9212 0.9302 0.9302 1.8106 1.8106 1.8194 1.8194 3.9237 3.9237 3.9287 3.9287 8.5429 8.5429 8.5466 8.5466 k =-0.0208 0.0143 0.2316 ( 5324 PWs) bands (ev): -14.0054 -14.0054 -14.0053 -14.0053 -10.9836 -10.9836 -10.9835 -10.9835 -2.7328 -2.7328 -2.7314 -2.7314 -0.1776 -0.1776 -0.1593 -0.1593 0.2514 0.2514 0.2755 0.2755 0.9171 0.9171 0.9350 0.9350 1.8049 1.8049 1.8224 1.8224 3.9222 3.9222 3.9321 3.9321 8.5503 8.5503 8.5575 8.5575 k =-0.0312 0.0214 0.2316 ( 5324 PWs) bands (ev): -14.0042 -14.0042 -14.0041 -14.0041 -10.9831 -10.9831 -10.9830 -10.9830 -2.7333 -2.7333 -2.7312 -2.7312 -0.1871 -0.1871 -0.1595 -0.1595 0.2338 0.2338 0.2700 0.2700 0.9130 0.9130 0.9398 0.9398 1.7983 1.7983 1.8245 1.8245 3.9213 3.9213 3.9360 3.9360 8.5638 8.5638 8.5746 8.5746 k =-0.0417 0.0285 0.2316 ( 5324 PWs) bands (ev): -14.0026 -14.0026 -14.0025 -14.0025 -10.9823 -10.9823 -10.9822 -10.9822 -2.7339 -2.7339 -2.7311 -2.7311 -0.1987 -0.1987 -0.1617 -0.1617 0.2120 0.2120 0.2603 0.2603 0.9090 0.9090 0.9446 0.9446 1.7909 1.7909 1.8258 1.8258 3.9210 3.9210 3.9403 3.9403 8.5835 8.5835 8.5978 8.5978 k =-0.0521 0.0356 0.2316 ( 5326 PWs) bands (ev): -14.0006 -14.0006 -14.0005 -14.0005 -10.9814 -10.9814 -10.9813 -10.9813 -2.7346 -2.7346 -2.7311 -2.7311 -0.2126 -0.2126 -0.1658 -0.1658 0.1864 0.1864 0.2469 0.2469 0.9048 0.9048 0.9491 0.9491 1.7827 1.7827 1.8263 1.8263 3.9213 3.9213 3.9450 3.9450 8.6092 8.6092 8.6269 8.6269 k =-0.0625 0.0428 0.2316 ( 5316 PWs) bands (ev): -13.9981 -13.9981 -13.9980 -13.9980 -10.9803 -10.9803 -10.9802 -10.9802 -2.7353 -2.7353 -2.7312 -2.7312 -0.2286 -0.2286 -0.1720 -0.1720 0.1574 0.1574 0.2301 0.2301 0.9002 0.9002 0.9532 0.9532 1.7737 1.7737 1.8259 1.8259 3.9220 3.9220 3.9498 3.9498 8.6410 8.6410 8.6620 8.6620 k =-0.0729 0.0499 0.2316 ( 5324 PWs) bands (ev): -13.9952 -13.9952 -13.9951 -13.9951 -10.9789 -10.9789 -10.9788 -10.9788 -2.7361 -2.7361 -2.7313 -2.7313 -0.2471 -0.2471 -0.1803 -0.1803 0.1256 0.1256 0.2105 0.2105 0.8951 0.8951 0.9566 0.9566 1.7640 1.7640 1.8248 1.8248 3.9231 3.9231 3.9547 3.9547 8.6788 8.6788 8.7031 8.7031 k =-0.0833 0.0570 0.2316 ( 5324 PWs) bands (ev): -13.9919 -13.9919 -13.9918 -13.9918 -10.9774 -10.9774 -10.9773 -10.9773 -2.7369 -2.7369 -2.7315 -2.7315 -0.2680 -0.2680 -0.1912 -0.1912 0.0917 0.0917 0.1886 0.1886 0.8893 0.8893 0.9593 0.9593 1.7537 1.7537 1.8229 1.8229 3.9245 3.9245 3.9595 3.9595 8.7225 8.7225 8.7499 8.7499 k =-0.0938 0.0641 0.2316 ( 5320 PWs) bands (ev): -13.9882 -13.9882 -13.9881 -13.9881 -10.9757 -10.9757 -10.9755 -10.9755 -2.7378 -2.7378 -2.7317 -2.7317 -0.2914 -0.2914 -0.2049 -0.2049 0.0564 0.0564 0.1649 0.1649 0.8827 0.8827 0.9612 0.9612 1.7428 1.7428 1.8202 1.8202 3.9260 3.9260 3.9640 3.9640 8.7720 8.7720 8.8025 8.8025 k =-0.1042 0.0713 0.2316 ( 5324 PWs) bands (ev): -13.9841 -13.9841 -13.9840 -13.9840 -10.9738 -10.9738 -10.9737 -10.9737 -2.7387 -2.7387 -2.7320 -2.7320 -0.3175 -0.3175 -0.2220 -0.2220 0.0208 0.0208 0.1398 0.1398 0.8753 0.8753 0.9620 0.9620 1.7313 1.7313 1.8168 1.8168 3.9275 3.9275 3.9682 3.9682 8.8273 8.8273 8.8607 8.8607 k =-0.1146 0.0784 0.2316 ( 5324 PWs) bands (ev): -13.9797 -13.9797 -13.9795 -13.9795 -10.9717 -10.9717 -10.9716 -10.9716 -2.7396 -2.7396 -2.7324 -2.7324 -0.3462 -0.3462 -0.2431 -0.2431 -0.0142 -0.0142 0.1140 0.1140 0.8670 0.8670 0.9619 0.9619 1.7193 1.7193 1.8127 1.8127 3.9289 3.9289 3.9719 3.9719 8.8881 8.8881 8.9243 8.9243 k =-0.1250 0.0855 0.2316 ( 5316 PWs) bands (ev): -13.9748 -13.9748 -13.9747 -13.9747 -10.9695 -10.9695 -10.9693 -10.9693 -2.7405 -2.7405 -2.7328 -2.7328 -0.3776 -0.3776 -0.2689 -0.2689 -0.0475 -0.0475 0.0877 0.0877 0.8578 0.8578 0.9607 0.9607 1.7068 1.7068 1.8077 1.8077 3.9301 3.9301 3.9751 3.9751 8.9542 8.9542 8.9932 8.9932 k =-0.1354 0.0926 0.2316 ( 5324 PWs) bands (ev): -13.9697 -13.9697 -13.9696 -13.9696 -10.9671 -10.9671 -10.9670 -10.9670 -2.7414 -2.7414 -2.7332 -2.7332 -0.4116 -0.4116 -0.3000 -0.3000 -0.0782 -0.0782 0.0613 0.0613 0.8479 0.8479 0.9585 0.9585 1.6938 1.6938 1.8020 1.8020 3.9310 3.9310 3.9775 3.9775 9.0255 9.0255 9.0671 9.0671 k =-0.1458 0.0998 0.2316 ( 5332 PWs) bands (ev): -13.9642 -13.9642 -13.9641 -13.9641 -10.9646 -10.9646 -10.9644 -10.9644 -2.7423 -2.7423 -2.7336 -2.7336 -0.4481 -0.4481 -0.3364 -0.3364 -0.1057 -0.1057 0.0351 0.0351 0.8372 0.8372 0.9554 0.9554 1.6804 1.6804 1.7955 1.7955 3.9315 3.9315 3.9793 3.9793 9.1015 9.1015 9.1457 9.1457 k =-0.1562 0.1069 0.2316 ( 5334 PWs) bands (ev): -13.9584 -13.9584 -13.9583 -13.9583 -10.9619 -10.9619 -10.9618 -10.9618 -2.7432 -2.7432 -2.7341 -2.7341 -0.4871 -0.4871 -0.3777 -0.3777 -0.1303 -0.1303 0.0093 0.0093 0.8260 0.8260 0.9513 0.9513 1.6665 1.6665 1.7881 1.7881 3.9316 3.9316 3.9802 3.9802 9.1820 9.1820 9.2287 9.2287 k =-0.1667 0.1140 0.2316 ( 5338 PWs) bands (ev): -13.9524 -13.9524 -13.9523 -13.9523 -10.9591 -10.9591 -10.9590 -10.9590 -2.7441 -2.7441 -2.7345 -2.7345 -0.5282 -0.5282 -0.4231 -0.4231 -0.1523 -0.1523 -0.0160 -0.0160 0.8142 0.8142 0.9464 0.9464 1.6521 1.6521 1.7798 1.7798 3.9312 3.9312 3.9802 3.9802 9.2664 9.2664 9.3156 9.3156 k =-0.1771 0.1211 0.2316 ( 5340 PWs) bands (ev): -13.9461 -13.9461 -13.9460 -13.9460 -10.9562 -10.9562 -10.9561 -10.9561 -2.7449 -2.7449 -2.7350 -2.7350 -0.5714 -0.5714 -0.4718 -0.4718 -0.1723 -0.1723 -0.0406 -0.0406 0.8021 0.8021 0.9408 0.9408 1.6372 1.6372 1.7707 1.7707 3.9302 3.9302 3.9795 3.9795 9.3541 9.3541 9.4058 9.4058 k =-0.1875 0.1283 0.2316 ( 5340 PWs) bands (ev): -13.9396 -13.9396 -13.9395 -13.9395 -10.9533 -10.9533 -10.9531 -10.9531 -2.7456 -2.7456 -2.7354 -2.7354 -0.6163 -0.6163 -0.5229 -0.5229 -0.1907 -0.1907 -0.0645 -0.0645 0.7898 0.7898 0.9345 0.9345 1.6218 1.6218 1.7606 1.7606 3.9286 3.9286 3.9779 3.9779 9.4444 9.4444 9.4985 9.4985 k =-0.1979 0.1354 0.2316 ( 5340 PWs) bands (ev): -13.9329 -13.9329 -13.9328 -13.9328 -10.9502 -10.9502 -10.9500 -10.9500 -2.7463 -2.7463 -2.7358 -2.7358 -0.6626 -0.6626 -0.5758 -0.5758 -0.2080 -0.2080 -0.0877 -0.0877 0.7774 0.7774 0.9278 0.9278 1.6058 1.6058 1.7495 1.7495 3.9265 3.9265 3.9754 3.9754 9.5362 9.5362 9.5926 9.5926 k =-0.2083 0.1425 0.2316 ( 5336 PWs) bands (ev): -13.9260 -13.9260 -13.9259 -13.9259 -10.9470 -10.9470 -10.9469 -10.9469 -2.7469 -2.7469 -2.7362 -2.7362 -0.7101 -0.7101 -0.6298 -0.6298 -0.2244 -0.2244 -0.1102 -0.1102 0.7651 0.7651 0.9208 0.9208 1.5893 1.5893 1.7374 1.7374 3.9238 3.9238 3.9721 3.9721 9.6281 9.6281 9.6867 9.6867 k =-0.2188 0.1497 0.2316 ( 5334 PWs) bands (ev): -13.9190 -13.9190 -13.9189 -13.9189 -10.9438 -10.9438 -10.9436 -10.9436 -2.7474 -2.7474 -2.7366 -2.7366 -0.7585 -0.7585 -0.6846 -0.6846 -0.2402 -0.2402 -0.1319 -0.1319 0.7530 0.7530 0.9134 0.9134 1.5722 1.5722 1.7243 1.7243 3.9205 3.9205 3.9681 3.9681 9.7181 9.7181 9.7786 9.7787 k =-0.2292 0.1568 0.2316 ( 5336 PWs) bands (ev): -13.9119 -13.9119 -13.9118 -13.9118 -10.9406 -10.9406 -10.9404 -10.9404 -2.7478 -2.7478 -2.7369 -2.7369 -0.8076 -0.8076 -0.7396 -0.7396 -0.2554 -0.2554 -0.1529 -0.1529 0.7413 0.7413 0.9060 0.9060 1.5546 1.5546 1.7103 1.7103 3.9167 3.9167 3.9633 3.9633 9.8037 9.8037 9.8655 9.8655 k =-0.2396 0.1639 0.2316 ( 5324 PWs) bands (ev): -13.9047 -13.9047 -13.9046 -13.9046 -10.9373 -10.9373 -10.9371 -10.9371 -2.7481 -2.7481 -2.7371 -2.7371 -0.8569 -0.8569 -0.7947 -0.7947 -0.2702 -0.2702 -0.1733 -0.1733 0.7301 0.7301 0.8987 0.8987 1.5363 1.5363 1.6952 1.6952 3.9124 3.9124 3.9579 3.9579 9.8818 9.8818 9.9436 9.9436 k =-0.2500 0.1710 0.2316 ( 5338 PWs) bands (ev): -13.8974 -13.8974 -13.8973 -13.8973 -10.9340 -10.9340 -10.9338 -10.9338 -2.7483 -2.7483 -2.7373 -2.7373 -0.9064 -0.9064 -0.8495 -0.8495 -0.2845 -0.2845 -0.1929 -0.1929 0.7194 0.7194 0.8914 0.8914 1.5175 1.5175 1.6792 1.6792 3.9076 3.9076 3.9519 3.9519 9.9487 9.9487 10.0085 10.0085 k =-0.2604 0.1782 0.2316 ( 5346 PWs) bands (ev): -13.8902 -13.8902 -13.8900 -13.8900 -10.9307 -10.9307 -10.9305 -10.9305 -2.7484 -2.7484 -2.7373 -2.7373 -0.9557 -0.9557 -0.9037 -0.9037 -0.2984 -0.2984 -0.2119 -0.2119 0.7095 0.7095 0.8844 0.8844 1.4982 1.4982 1.6622 1.6622 3.9025 3.9025 3.9453 3.9453 10.0010 10.0010 10.0565 10.0565 k =-0.2708 0.1853 0.2316 ( 5346 PWs) bands (ev): -13.8829 -13.8829 -13.8828 -13.8828 -10.9273 -10.9273 -10.9272 -10.9272 -2.7484 -2.7484 -2.7374 -2.7374 -1.0046 -1.0046 -0.9572 -0.9572 -0.3118 -0.3118 -0.2303 -0.2303 0.7005 0.7005 0.8778 0.8778 1.4783 1.4783 1.6442 1.6442 3.8970 3.8970 3.9384 3.9384 10.0370 10.0370 10.0865 10.0865 k =-0.2812 0.1924 0.2316 ( 5346 PWs) bands (ev): -13.8757 -13.8757 -13.8755 -13.8755 -10.9241 -10.9241 -10.9239 -10.9239 -2.7482 -2.7482 -2.7373 -2.7373 -1.0529 -1.0529 -1.0097 -1.0097 -0.3248 -0.3248 -0.2480 -0.2480 0.6923 0.6923 0.8716 0.8716 1.4579 1.4579 1.6254 1.6254 3.8912 3.8912 3.9310 3.9310 10.0571 10.0571 10.1001 10.1001 k =-0.2917 0.1995 0.2316 ( 5340 PWs) bands (ev): -13.8685 -13.8685 -13.8684 -13.8684 -10.9208 -10.9208 -10.9206 -10.9206 -2.7479 -2.7479 -2.7371 -2.7371 -1.1003 -1.1003 -1.0611 -1.0611 -0.3373 -0.3373 -0.2650 -0.2650 0.6852 0.6852 0.8659 0.8659 1.4371 1.4371 1.6058 1.6058 3.8853 3.8853 3.9234 3.9234 10.0638 10.0638 10.1005 10.1005 k =-0.3021 0.2067 0.2316 ( 5330 PWs) bands (ev): -13.8615 -13.8615 -13.8614 -13.8614 -10.9176 -10.9176 -10.9175 -10.9175 -2.7474 -2.7474 -2.7369 -2.7369 -1.1467 -1.1467 -1.1111 -1.1111 -0.3494 -0.3494 -0.2814 -0.2814 0.6791 0.6791 0.8608 0.8608 1.4160 1.4160 1.5854 1.5854 3.8792 3.8792 3.9155 3.9155 10.0602 10.0602 10.0915 10.0915 k =-0.3125 0.2138 0.2316 ( 5326 PWs) bands (ev): -13.8546 -13.8546 -13.8545 -13.8545 -10.9145 -10.9145 -10.9143 -10.9143 -2.7468 -2.7468 -2.7366 -2.7366 -1.1919 -1.1919 -1.1596 -1.1596 -0.3610 -0.3610 -0.2971 -0.2971 0.6742 0.6742 0.8563 0.8563 1.3947 1.3947 1.5643 1.5643 3.8729 3.8729 3.9075 3.9075 10.0491 10.0491 10.0761 10.0761 k =-0.3229 0.2209 0.2316 ( 5312 PWs) bands (ev): -13.8479 -13.8479 -13.8477 -13.8477 -10.9115 -10.9115 -10.9113 -10.9113 -2.7461 -2.7461 -2.7362 -2.7362 -1.2357 -1.2357 -1.2065 -1.2065 -0.3720 -0.3720 -0.3122 -0.3122 0.6705 0.6705 0.8524 0.8524 1.3732 1.3732 1.5426 1.5426 3.8667 3.8667 3.8995 3.8995 10.0334 10.0334 10.0568 10.0568 k =-0.3333 0.2280 0.2316 ( 5304 PWs) bands (ev): -13.8413 -13.8413 -13.8412 -13.8412 -10.9085 -10.9085 -10.9083 -10.9083 -2.7453 -2.7453 -2.7357 -2.7357 -1.2780 -1.2780 -1.2516 -1.2516 -0.3824 -0.3824 -0.3266 -0.3266 0.6681 0.6681 0.8491 0.8491 1.3517 1.3517 1.5204 1.5204 3.8605 3.8605 3.8914 3.8914 10.0147 10.0147 10.0353 10.0353 k =-0.3438 0.2352 0.2316 ( 5304 PWs) bands (ev): -13.8350 -13.8350 -13.8349 -13.8349 -10.9056 -10.9056 -10.9055 -10.9055 -2.7443 -2.7443 -2.7351 -2.7351 -1.3185 -1.3185 -1.2947 -1.2947 -0.3923 -0.3923 -0.3403 -0.3403 0.6669 0.6669 0.8464 0.8464 1.3303 1.3303 1.4977 1.4977 3.8544 3.8544 3.8834 3.8834 9.9945 9.9945 10.0129 10.0129 k =-0.3542 0.2423 0.2316 ( 5304 PWs) bands (ev): -13.8290 -13.8290 -13.8288 -13.8288 -10.9029 -10.9029 -10.9028 -10.9028 -2.7433 -2.7433 -2.7344 -2.7344 -1.3572 -1.3572 -1.3358 -1.3358 -0.4015 -0.4015 -0.3533 -0.3533 0.6670 0.6670 0.8442 0.8442 1.3093 1.3093 1.4747 1.4747 3.8485 3.8485 3.8756 3.8756 9.9739 9.9739 9.9903 9.9903 k =-0.3646 0.2494 0.2316 ( 5304 PWs) bands (ev): -13.8232 -13.8232 -13.8231 -13.8231 -10.9003 -10.9003 -10.9002 -10.9002 -2.7421 -2.7421 -2.7337 -2.7337 -1.3939 -1.3939 -1.3747 -1.3747 -0.4102 -0.4102 -0.3656 -0.3656 0.6684 0.6684 0.8425 0.8425 1.2888 1.2888 1.4515 1.4515 3.8428 3.8428 3.8679 3.8679 9.9535 9.9535 9.9683 9.9683 k =-0.3750 0.2566 0.2316 ( 5310 PWs) bands (ev): -13.8177 -13.8177 -13.8176 -13.8176 -10.8979 -10.8979 -10.8977 -10.8977 -2.7409 -2.7409 -2.7330 -2.7330 -1.4284 -1.4284 -1.4114 -1.4114 -0.4181 -0.4181 -0.3771 -0.3771 0.6710 0.6710 0.8411 0.8411 1.2690 1.2690 1.4282 1.4282 3.8373 3.8373 3.8605 3.8605 9.9339 9.9339 9.9472 9.9472 k =-0.3854 0.2637 0.2316 ( 5314 PWs) bands (ev): -13.8126 -13.8126 -13.8125 -13.8125 -10.8955 -10.8955 -10.8954 -10.8954 -2.7396 -2.7396 -2.7322 -2.7322 -1.4607 -1.4607 -1.4455 -1.4455 -0.4254 -0.4254 -0.3880 -0.3880 0.6750 0.6750 0.8399 0.8399 1.2503 1.2503 1.4049 1.4049 3.8322 3.8322 3.8535 3.8535 9.9154 9.9154 9.9275 9.9275 k =-0.3958 0.2708 0.2316 ( 5294 PWs) bands (ev): -13.8078 -13.8078 -13.8077 -13.8077 -10.8934 -10.8934 -10.8933 -10.8933 -2.7382 -2.7382 -2.7315 -2.7315 -1.4906 -1.4906 -1.4772 -1.4772 -0.4319 -0.4319 -0.3980 -0.3980 0.6801 0.6801 0.8387 0.8387 1.2330 1.2330 1.3818 1.3818 3.8274 3.8274 3.8468 3.8468 9.8983 9.8983 9.9092 9.9092 k =-0.4062 0.2779 0.2316 ( 5300 PWs) bands (ev): -13.8035 -13.8035 -13.8033 -13.8033 -10.8914 -10.8914 -10.8913 -10.8913 -2.7369 -2.7369 -2.7307 -2.7307 -1.5179 -1.5179 -1.5062 -1.5062 -0.4378 -0.4378 -0.4074 -0.4074 0.6865 0.6865 0.8371 0.8371 1.2173 1.2173 1.3590 1.3590 3.8231 3.8231 3.8405 3.8405 9.8826 9.8826 9.8924 9.8924 k =-0.4167 0.2851 0.2316 ( 5300 PWs) bands (ev): -13.7995 -13.7995 -13.7994 -13.7994 -10.8896 -10.8896 -10.8895 -10.8895 -2.7355 -2.7355 -2.7300 -2.7300 -1.5427 -1.5427 -1.5325 -1.5325 -0.4429 -0.4429 -0.4159 -0.4159 0.6939 0.6939 0.8351 0.8351 1.2037 1.2037 1.3366 1.3366 3.8192 3.8192 3.8347 3.8347 9.8686 9.8686 9.8773 9.8773 k =-0.4271 0.2922 0.2316 ( 5296 PWs) bands (ev): -13.7959 -13.7959 -13.7958 -13.7958 -10.8880 -10.8880 -10.8879 -10.8879 -2.7342 -2.7342 -2.7293 -2.7293 -1.5647 -1.5647 -1.5560 -1.5560 -0.4472 -0.4472 -0.4237 -0.4237 0.7024 0.7024 0.8322 0.8322 1.1924 1.1924 1.3149 1.3149 3.8158 3.8158 3.8293 3.8293 9.8563 9.8563 9.8639 9.8639 k =-0.4375 0.2993 0.2316 ( 5300 PWs) bands (ev): -13.7928 -13.7928 -13.7927 -13.7927 -10.8866 -10.8866 -10.8865 -10.8865 -2.7329 -2.7329 -2.7287 -2.7287 -1.5839 -1.5839 -1.5766 -1.5766 -0.4508 -0.4508 -0.4306 -0.4306 0.7118 0.7118 0.8282 0.8282 1.1839 1.1839 1.2939 1.2939 3.8129 3.8129 3.8245 3.8245 9.8457 9.8457 9.8522 9.8522 k =-0.4479 0.3064 0.2316 ( 5304 PWs) bands (ev): -13.7901 -13.7901 -13.7900 -13.7900 -10.8854 -10.8854 -10.8853 -10.8853 -2.7318 -2.7318 -2.7282 -2.7282 -1.6003 -1.6003 -1.5943 -1.5943 -0.4536 -0.4536 -0.4368 -0.4368 0.7220 0.7220 0.8231 0.8231 1.1782 1.1782 1.2740 1.2740 3.8105 3.8105 3.8202 3.8202 9.8368 9.8368 9.8423 9.8423 k =-0.4583 0.3136 0.2316 ( 5310 PWs) bands (ev): -13.7879 -13.7879 -13.7878 -13.7878 -10.8845 -10.8845 -10.8844 -10.8844 -2.7307 -2.7307 -2.7278 -2.7278 -1.6136 -1.6136 -1.6089 -1.6089 -0.4556 -0.4556 -0.4422 -0.4422 0.7328 0.7328 0.8166 0.8166 1.1758 1.1758 1.2551 1.2551 3.8088 3.8088 3.8165 3.8165 9.8296 9.8296 9.8340 9.8340 k =-0.4688 0.3207 0.2316 ( 5318 PWs) bands (ev): -13.7862 -13.7862 -13.7861 -13.7861 -10.8837 -10.8837 -10.8836 -10.8836 -2.7298 -2.7298 -2.7276 -2.7276 -1.6240 -1.6240 -1.6205 -1.6205 -0.4568 -0.4568 -0.4467 -0.4467 0.7441 0.7441 0.8087 0.8087 1.1764 1.1764 1.2377 1.2377 3.8076 3.8076 3.8134 3.8134 9.8242 9.8242 9.8275 9.8275 k =-0.4792 0.3278 0.2316 ( 5308 PWs) bands (ev): -13.7850 -13.7850 -13.7849 -13.7849 -10.8831 -10.8831 -10.8830 -10.8830 -2.7290 -2.7290 -2.7275 -2.7275 -1.6312 -1.6312 -1.6289 -1.6289 -0.4572 -0.4572 -0.4505 -0.4505 0.7557 0.7557 0.7996 0.7996 1.1802 1.1802 1.2219 1.2219 3.8070 3.8070 3.8108 3.8108 9.8205 9.8205 9.8228 9.8228 k =-0.4896 0.3349 0.2316 ( 5308 PWs) bands (ev): -13.7842 -13.7842 -13.7842 -13.7842 -10.8828 -10.8828 -10.8827 -10.8827 -2.7284 -2.7284 -2.7276 -2.7276 -1.6354 -1.6354 -1.6342 -1.6342 -0.4567 -0.4567 -0.4534 -0.4534 0.7673 0.7673 0.7896 0.7896 1.1869 1.1869 1.2080 1.2080 3.8070 3.8070 3.8090 3.8090 9.8185 9.8185 9.8197 9.8197 k =-0.5000 0.3421 0.2316 ( 5312 PWs) bands (ev): -13.7840 -13.7840 -13.7839 -13.7839 -10.8827 -10.8827 -10.8826 -10.8826 -2.7280 -2.7280 -2.7279 -2.7279 -1.6364 -1.6364 -1.6363 -1.6363 -0.4555 -0.4555 -0.4554 -0.4554 0.7786 0.7786 0.7787 0.7787 1.1962 1.1962 1.1963 1.1963 3.8076 3.8076 3.8077 3.8077 9.8182 9.8182 9.8183 9.8183 Writing output data file Br.save init_run : 0.09s CPU 0.51s WALL ( 1 calls) electrons : 101.51s CPU 104.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 101.50s CPU 104.80s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 382 calls) cegterg : 94.22s CPU 95.58s WALL ( 553 calls) Called by sum_band: Called by *egterg: h_psi : 57.57s CPU 58.48s WALL ( 9077 calls) s_psi : 0.95s CPU 1.01s WALL ( 9077 calls) g_psi : 0.18s CPU 0.20s WALL ( 8142 calls) cdiaghg : 30.90s CPU 31.50s WALL ( 8524 calls) cegterg:over : 3.58s CPU 3.60s WALL ( 8142 calls) cegterg:upda : 3.36s CPU 3.36s WALL ( 8142 calls) cegterg:last : 1.90s CPU 1.88s WALL ( 1317 calls) cdiaghg:chol : 1.78s CPU 1.77s WALL ( 8524 calls) cdiaghg:inve : 0.93s CPU 0.78s WALL ( 8524 calls) cdiaghg:para : 1.98s CPU 1.96s WALL ( 17048 calls) Called by h_psi: h_psi:vloc : 54.55s CPU 55.36s WALL ( 9077 calls) h_psi:vnl : 2.88s CPU 2.95s WALL ( 9077 calls) add_vuspsi : 1.12s CPU 1.17s WALL ( 9077 calls) General routines calbec : 1.74s CPU 1.76s WALL ( 9077 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.34s CPU 52.06s WALL ( 556244 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.22s WALL ( 764 calls) Parallel routines fft_scatter : 17.52s CPU 18.01s WALL ( 556267 calls) PWSCF : 1m56.09s CPU 2m34.71s WALL This run was terminated on: 16: 6:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=